data_jon1e_0m_pl
_audit_creation_date               2024-04-19
_audit_creation_method
;
Olex2 1.5-ac5-024
(compiled 2022.04.12 svn.rca3783a0 for Rigaku Oxford Diffraction, GUI svn.r6498)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C68 H75 N5 O2 Pt'
_chemical_formula_sum              'C68 H75 N5 O2 Pt'
_chemical_formula_weight           1189.42
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pt' 'Pt' -1.7033 8.3905
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'triclinic'
_space_group_IT_number             2
_space_group_name_H-M_alt          'P -1'
_space_group_name_Hall             '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                     10.5717(3)
_cell_length_b                     16.0616(4)
_cell_length_c                     19.8423(5)
_cell_angle_alpha                  74.6380(10)
_cell_angle_beta                   83.1070(10)
_cell_angle_gamma                  87.7630(10)
_cell_volume                       3225.24(15)
_cell_formula_units_Z              2
_cell_measurement_temperature     110(2)
_cell_measurement_reflns_used     9876
_cell_measurement_theta_min       3.09
_cell_measurement_theta_max       45.81

_shelx_estimated_absorpt_T_max     0.880
_shelx_estimated_absorpt_T_min     0.561
_exptl_absorpt_coefficient_mu      2.219
_exptl_absorpt_correction_type    'Multi-scan'
_exptl_absorpt_correction_T_max   0.9804
_exptl_absorpt_correction_T_min   0.6710
_exptl_absorpt_process_details    ?

_exptl_special_details
;
 ?
;
_exptl_crystal_colour              'clear orange'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_primary      orange
_exptl_crystal_density_diffrn      1.225
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         irregular
_exptl_crystal_F_000               1224
_exptl_crystal_size_max            0.294
_exptl_crystal_size_mid            0.074
_exptl_crystal_size_min            0.059
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0305
_diffrn_reflns_av_unetI/netI       0.0356
_diffrn_reflns_Laue_measured_fraction_full  0.995
_diffrn_reflns_Laue_measured_fraction_max  0.994
_diffrn_reflns_limit_h_max         13
_diffrn_reflns_limit_h_min         -13
_diffrn_reflns_limit_k_max         20
_diffrn_reflns_limit_k_min         -20
_diffrn_reflns_limit_l_max         24
_diffrn_reflns_limit_l_min         -24
_diffrn_reflns_number              33912
_diffrn_reflns_point_group_measured_fraction_full  0.995
_diffrn_reflns_point_group_measured_fraction_max  0.994
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           26.372
_diffrn_reflns_theta_min           2.321

_diffrn_ambient_temperature       110(2)
_diffrn_source_power              1.2000
_diffrn_source_voltage            50.0000
_diffrn_source_current            24.0000
_diffrn_radiation_wavelength      0.710747
_diffrn_radiation_type            'Mo K\a'
_diffrn_radiation_source          'Rotating Anode'
_diffrn_radiation_monochromator   'Confocal'
_diffrn_radiation_detector        'CCD'
_diffrn_measurement_device
;
Rigaku AFC11 Saturn724+ (4x4 bin mode)
;
_diffrn_detector_area_resol_mean  28.5714

_diffrn_measured_fraction_theta_full  0.995
_diffrn_measured_fraction_theta_max  0.804

_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  12339
_reflns_number_total               13125
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_data_collection        'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement        'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction         'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics      'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      ?
_refine_diff_density_max           3.651
_refine_diff_density_min           -1.073
_refine_diff_density_rms           0.111
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.063
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       703
_refine_ls_number_reflns           13125
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0339
_refine_ls_R_factor_gt             0.0316
_refine_ls_restrained_S_all        1.063
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0406P)²+6.1079P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0815
_refine_ls_wR_factor_ref           0.0836
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C9(H9), C10(H10), C14(H14), C16(H16),
 C18(H18), C28(H28), C29(H29), C33(H33), C35(H35), C37(H37), C47(H47), C48(H48),
  C52(H52), C54(H54), C56(H56), C66(H66), C67(H67)
2.b Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C24(H24A,H24B,
 H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C39(H39A,H39B,H39C), C40(H40A,
 H40B,H40C), C41(H41A,H41B,H41C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C),
 C45(H45A,H45B,H45C), C58(H58A,H58B,H58C), C59(H59A,H59B,H59C), C60(H60A,H60B,
 H60C), C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C64(H64A,H64B,H64C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       ?
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Pt Pt 0.15149(2) -0.04244(2) -0.11426(2) 0.01669(5) Uani 1 1 d . . . . .
 O1 O 0.3137(3) 0.2288(3) 0.2545(2) 0.0674(11) Uani 1 1 d . . . . .
 N1 N 0.2138(2) -0.08175(16) -0.01926(13) 0.0185(5) Uani 1 1 d . . . . .
 N2 N 0.1232(2) 0.07719(16) -0.10156(13) 0.0187(5) Uani 1 1 d . . . . .
 N3 N 0.0934(3) -0.00311(16) -0.21074(13) 0.0201(5) Uani 1 1 d . . . . .
 N4 N 0.1775(2) -0.16207(15) -0.12645(13) 0.0142(4) Uani 1 1 d . . . . .
 N5 N 0.3907(3) 0.2122(3) 0.20984(18) 0.0425(8) Uani 1 1 d . . . . .
 C1 C 0.2153(3) 0.0581(2) 0.00998(16) 0.0219(6) Uani 1 1 d . . . . .
 C2 C 0.2601(3) 0.10246(19) 0.06009(16) 0.0208(6) Uani 1 1 d . . . . .
 C3 C 0.1747(3) 0.1298(2) 0.10875(18) 0.0264(7) Uani 1 1 d . . . . .
 H3 H 0.087679 0.123565 0.108548 0.032 Uiso 1 1 calc R U . . .
 C4 C 0.2175(3) 0.1663(2) 0.15754(18) 0.0282(7) Uani 1 1 d . . . . .
 H4 H 0.160223 0.183915 0.190510 0.034 Uiso 1 1 calc R U . . .
 C5 C 0.3454(3) 0.1758(2) 0.15634(17) 0.0272(7) Uani 1 1 d . . . . .
 C6 C 0.4354(3) 0.1500(3) 0.10841(19) 0.0335(8) Uani 1 1 d . . . . .
 H6 H 0.522087 0.157101 0.108933 0.040 Uiso 1 1 calc R U . . .
 C7 C 0.3912(3) 0.1134(2) 0.06006(19) 0.0302(7) Uani 1 1 d . . . . .
 H7 H 0.448874 0.095839 0.027203 0.036 Uiso 1 1 calc R U . . .
 C8 C 0.2387(3) -0.0307(2) 0.02331(16) 0.0222(6) Uani 1 1 d . . . . .
 C9 C 0.2836(3) -0.0831(2) 0.08611(17) 0.0273(7) Uani 1 1 d . . . . .
 H9 H 0.307820 -0.063794 0.122876 0.033 Uiso 1 1 calc R U . . .
 C10 C 0.2845(3) -0.1655(2) 0.08233(16) 0.0238(6) Uani 1 1 d . . . . .
 H10 H 0.307529 -0.213782 0.116431 0.029 Uiso 1 1 calc R U . . .
 C11 C 0.2432(3) -0.16518(19) 0.01581(15) 0.0182(6) Uani 1 1 d . . . . .
 C12 C 0.2388(3) -0.23742(18) -0.00957(15) 0.0158(5) Uani 1 1 d . . . . .
 C13 C 0.2724(3) -0.32322(18) 0.03737(15) 0.0158(5) Uani 1 1 d . . . . .
 C14 C 0.3972(3) -0.34292(19) 0.05059(15) 0.0167(5) Uani 1 1 d . . . . .
 H14 H 0.460756 -0.302865 0.029377 0.020 Uiso 1 1 calc R U . . .
 C15 C 0.4294(3) -0.42179(19) 0.09519(15) 0.0151(5) Uani 1 1 d . . . . .
 C16 C 0.3319(3) -0.48082(19) 0.12551(15) 0.0156(5) Uani 1 1 d . . . . .
 H16 H 0.351832 -0.533799 0.155140 0.019 Uiso 1 1 calc R U . . .
 C17 C 0.2049(3) -0.46279(18) 0.11271(15) 0.0158(5) Uani 1 1 d . . . . .
 C18 C 0.1764(3) -0.38349(18) 0.06850(15) 0.0158(5) Uani 1 1 d . . . . .
 H18 H 0.092673 -0.370228 0.059457 0.019 Uiso 1 1 calc R U . . .
 C19 C 0.5690(3) -0.4424(2) 0.10769(15) 0.0182(6) Uani 1 1 d . . . . .
 C20 C 0.6316(3) -0.3645(2) 0.12122(19) 0.0273(7) Uani 1 1 d . . . . .
 H20A H 0.632207 -0.316572 0.080253 0.041 Uiso 1 1 calc R U . . .
 H20B H 0.717454 -0.379230 0.131255 0.041 Uiso 1 1 calc R U . . .
 H20C H 0.584134 -0.349154 0.160592 0.041 Uiso 1 1 calc R U . . .
 C21 C 0.5820(3) -0.5212(2) 0.17004(17) 0.0252(7) Uani 1 1 d . . . . .
 H21A H 0.532073 -0.512091 0.211248 0.038 Uiso 1 1 calc R U . . .
 H21B H 0.669784 -0.529221 0.178325 0.038 Uiso 1 1 calc R U . . .
 H21C H 0.552147 -0.571568 0.159619 0.038 Uiso 1 1 calc R U . . .
 C22 C 0.6396(3) -0.4609(2) 0.04096(18) 0.0281(7) Uani 1 1 d . . . . .
 H22A H 0.603179 -0.510643 0.032618 0.042 Uiso 1 1 calc R U . . .
 H22B H 0.728002 -0.471859 0.046918 0.042 Uiso 1 1 calc R U . . .
 H22C H 0.631650 -0.411964 0.001569 0.042 Uiso 1 1 calc R U . . .
 C23 C 0.1013(3) -0.53069(19) 0.14724(17) 0.0202(6) Uani 1 1 d . . . . .
 C24 C 0.1042(4) -0.5586(3) 0.2270(2) 0.0498(11) Uani 1 1 d . . . . .
 H24A H 0.185906 -0.583625 0.237395 0.075 Uiso 1 1 calc R U . . .
 H24B H 0.038884 -0.600482 0.247967 0.075 Uiso 1 1 calc R U . . .
 H24C H 0.089679 -0.509244 0.245638 0.075 Uiso 1 1 calc R U . . .
 C25 C 0.1269(4) -0.6103(3) 0.1186(3) 0.0445(10) Uani 1 1 d . . . . .
 H25A H 0.119984 -0.594558 0.068977 0.067 Uiso 1 1 calc R U . . .
 H25B H 0.065572 -0.654101 0.142089 0.067 Uiso 1 1 calc R U . . .
 H25C H 0.211110 -0.632122 0.126708 0.067 Uiso 1 1 calc R U . . .
 C26 C -0.0314(3) -0.4971(3) 0.1332(3) 0.0430(10) Uani 1 1 d . . . . .
 H26A H -0.048433 -0.446730 0.150262 0.065 Uiso 1 1 calc R U . . .
 H26B H -0.092599 -0.540889 0.156881 0.065 Uiso 1 1 calc R U . . .
 H26C H -0.037226 -0.482456 0.083505 0.065 Uiso 1 1 calc R U . . .
 C27 C 0.2100(3) -0.23497(18) -0.07662(15) 0.0159(5) Uani 1 1 d . . . . .
 C28 C 0.2195(3) -0.30818(19) -0.10567(16) 0.0180(6) Uani 1 1 d . . . . .
 H28 H 0.238469 -0.364726 -0.082321 0.022 Uiso 1 1 calc R U . . .
 C29 C 0.1955(3) -0.27934(19) -0.17339(16) 0.0175(6) Uani 1 1 d . . . . .
 H29 H 0.196162 -0.312258 -0.205570 0.021 Uiso 1 1 calc R U . . .
 C30 C 0.1687(3) -0.18801(19) -0.18650(15) 0.0157(5) Uani 1 1 d . . . . .
 C31 C 0.1378(3) -0.13592(19) -0.25044(16) 0.0190(6) Uani 1 1 d . . . . .
 C32 C 0.1570(3) -0.17325(19) -0.31280(15) 0.0187(6) Uani 1 1 d . . . . .
 C33 C 0.2806(3) -0.1948(2) -0.33435(17) 0.0250(7) Uani 1 1 d . . . . .
 H33 H 0.346177 -0.187256 -0.309255 0.030 Uiso 1 1 calc R U . . .
 C34 C 0.3085(3) -0.2274(2) -0.39278(18) 0.0270(7) Uani 1 1 d . . . . .
 C35 C 0.2090(3) -0.2374(2) -0.42980(17) 0.0236(6) Uani 1 1 d . . . . .
 H35 H 0.226771 -0.258590 -0.469237 0.028 Uiso 1 1 calc R U . . .
 C36 C 0.0826(3) -0.21647(19) -0.40961(15) 0.0179(6) Uani 1 1 d . . . . .
 C37 C 0.0577(3) -0.18514(19) -0.34990(15) 0.0182(6) Uani 1 1 d . . . . .
 H37 H -0.025581 -0.172103 -0.334743 0.022 Uiso 1 1 calc R U . . .
 C38 C 0.4480(3) -0.2509(3) -0.4131(2) 0.0370(9) Uani 1 1 d . . . . .
 C39 C 0.5314(4) -0.1711(3) -0.4230(3) 0.0483(11) Uani 1 1 d . . . . .
 H39A H 0.499487 -0.123434 -0.457244 0.072 Uiso 1 1 calc R U . . .
 H39B H 0.617610 -0.183730 -0.438912 0.072 Uiso 1 1 calc R U . . .
 H39C H 0.529128 -0.156445 -0.378996 0.072 Uiso 1 1 calc R U . . .
 C40 C 0.4914(4) -0.3240(3) -0.3537(2) 0.0395(9) Uani 1 1 d . . . . .
 H40A H 0.479185 -0.306977 -0.310471 0.059 Uiso 1 1 calc R U . . .
 H40B H 0.580009 -0.336262 -0.364434 0.059 Uiso 1 1 calc R U . . .
 H40C H 0.442290 -0.374710 -0.348819 0.059 Uiso 1 1 calc R U . . .
 C41 C 0.4647(4) -0.2810(4) -0.4802(2) 0.0545(13) Uani 1 1 d . . . . .
 H41A H 0.420908 -0.334608 -0.472166 0.082 Uiso 1 1 calc R U . . .
 H41B H 0.553686 -0.289092 -0.493534 0.082 Uiso 1 1 calc R U . . .
 H41C H 0.429929 -0.238295 -0.517112 0.082 Uiso 1 1 calc R U . . .
 C42 C -0.0267(3) -0.2251(2) -0.45149(15) 0.0190(6) Uani 1 1 d . . . . .
 C43 C -0.1271(3) -0.2879(2) -0.40413(17) 0.0262(7) Uani 1 1 d . . . . .
 H43A H -0.162115 -0.265370 -0.365583 0.039 Uiso 1 1 calc R U . . .
 H43B H -0.087906 -0.343040 -0.386262 0.039 Uiso 1 1 calc R U . . .
 H43C H -0.193982 -0.294517 -0.431015 0.039 Uiso 1 1 calc R U . . .
 C44 C 0.0180(3) -0.2596(2) -0.51549(16) 0.0232(6) Uani 1 1 d . . . . .
 H44A H -0.053513 -0.263042 -0.540214 0.035 Uiso 1 1 calc R U . . .
 H44B H 0.055082 -0.315927 -0.500116 0.035 Uiso 1 1 calc R U . . .
 H44C H 0.080308 -0.221234 -0.546244 0.035 Uiso 1 1 calc R U . . .
 C45 C -0.0878(3) -0.1360(2) -0.47775(19) 0.0298(7) Uani 1 1 d . . . . .
 H45A H -0.154544 -0.140432 -0.505423 0.045 Uiso 1 1 calc R U . . .
 H45B H -0.024417 -0.096490 -0.506063 0.045 Uiso 1 1 calc R U . . .
 H45C H -0.122756 -0.115304 -0.438214 0.045 Uiso 1 1 calc R U . . .
 C46 C 0.1003(3) -0.0494(2) -0.26046(17) 0.0237(6) Uani 1 1 d . . . . .
 C47 C 0.0652(4) 0.0055(2) -0.32561(19) 0.0359(9) Uani 1 1 d . . . . .
 H47 H 0.063169 -0.010108 -0.367368 0.043 Uiso 1 1 calc R U . . .
 C48 C 0.0358(4) 0.0838(2) -0.31492(19) 0.0362(9) Uani 1 1 d . . . . .
 H48 H 0.008539 0.131813 -0.347776 0.043 Uiso 1 1 calc R U . . .
 C49 C 0.0542(3) 0.0794(2) -0.24340(17) 0.0244(6) Uani 1 1 d . . . . .
 C50 C 0.0434(3) 0.1494(2) -0.21448(17) 0.0222(6) Uani 1 1 d . . . . .
 C51 C 0.0110(3) 0.2356(2) -0.26137(16) 0.0222(6) Uani 1 1 d . . . . .
 C52 C -0.1133(3) 0.2591(2) -0.27381(16) 0.0214(6) Uani 1 1 d . . . . .
 H52 H -0.179187 0.220766 -0.252889 0.026 Uiso 1 1 calc R U . . .
 C53 C -0.1406(3) 0.3398(2) -0.31748(16) 0.0206(6) Uani 1 1 d . . . . .
 C54 C -0.0389(3) 0.3955(2) -0.34866(15) 0.0202(6) Uani 1 1 d . . . . .
 H54 H -0.055962 0.449273 -0.378005 0.024 Uiso 1 1 calc R U . . .
 C55 C 0.0867(3) 0.3732(2) -0.33734(16) 0.0201(6) Uani 1 1 d . . . . .
 C56 C 0.1102(3) 0.2924(2) -0.29306(17) 0.0229(6) Uani 1 1 d . . . . .
 H56 H 0.193369 0.276110 -0.284542 0.028 Uiso 1 1 calc R U . . .
 C57 C -0.2788(3) 0.3658(2) -0.33020(17) 0.0251(7) Uani 1 1 d . . . . .
 C58 C -0.3606(4) 0.3558(4) -0.2610(2) 0.0547(13) Uani 1 1 d . . . . .
 H58A H -0.363221 0.295981 -0.235331 0.082 Uiso 1 1 calc R U . . .
 H58B H -0.445361 0.376010 -0.269456 0.082 Uiso 1 1 calc R U . . .
 H58C H -0.325310 0.388908 -0.234084 0.082 Uiso 1 1 calc R U . . .
 C59 C -0.3282(5) 0.3098(4) -0.3713(3) 0.0703(19) Uani 1 1 d . . . . .
 H59A H -0.274460 0.315766 -0.414799 0.105 Uiso 1 1 calc R U . . .
 H59B H -0.413518 0.327414 -0.380845 0.105 Uiso 1 1 calc R U . . .
 H59C H -0.328263 0.250588 -0.344259 0.105 Uiso 1 1 calc R U . . .
 C60 C -0.2916(5) 0.4609(4) -0.3716(4) 0.081(2) Uani 1 1 d . . . . .
 H60A H -0.256824 0.497469 -0.347381 0.122 Uiso 1 1 calc R U . . .
 H60B H -0.379996 0.475014 -0.375594 0.122 Uiso 1 1 calc R U . . .
 H60C H -0.246107 0.469487 -0.417794 0.122 Uiso 1 1 calc R U . . .
 C61 C 0.1978(3) 0.4340(2) -0.37208(18) 0.0266(7) Uani 1 1 d . . . . .
 C62 C 0.1552(4) 0.5215(3) -0.4140(3) 0.0517(11) Uani 1 1 d . . . . .
 H62A H 0.103639 0.514071 -0.448672 0.078 Uiso 1 1 calc R U . . .
 H62B H 0.228506 0.555337 -0.437041 0.078 Uiso 1 1 calc R U . . .
 H62C H 0.106271 0.550556 -0.382986 0.078 Uiso 1 1 calc R U . . .
 C63 C 0.2841(5) 0.3915(3) -0.4225(3) 0.0501(11) Uani 1 1 d . . . . .
 H63A H 0.311167 0.335496 -0.396949 0.075 Uiso 1 1 calc R U . . .
 H63B H 0.357428 0.426964 -0.442319 0.075 Uiso 1 1 calc R U . . .
 H63C H 0.237376 0.385731 -0.459610 0.075 Uiso 1 1 calc R U . . .
 C64 C 0.2759(5) 0.4463(4) -0.3159(3) 0.0569(12) Uani 1 1 d . . . . .
 H64A H 0.224143 0.473625 -0.284620 0.085 Uiso 1 1 calc R U . . .
 H64B H 0.348135 0.481858 -0.337824 0.085 Uiso 1 1 calc R U . . .
 H64C H 0.304763 0.391059 -0.289729 0.085 Uiso 1 1 calc R U . . .
 C65 C 0.0741(3) 0.14720(19) -0.14788(16) 0.0203(6) Uani 1 1 d . . . . .
 C66 C 0.0698(3) 0.2213(2) -0.11961(17) 0.0231(6) Uani 1 1 d . . . . .
 H66 H 0.038227 0.275846 -0.140080 0.028 Uiso 1 1 calc R U . . .
 C67 C 0.1201(3) 0.1969(2) -0.05797(17) 0.0226(6) Uani 1 1 d . . . . .
 H67 H 0.130475 0.231639 -0.028310 0.027 Uiso 1 1 calc R U . . .
 C68 C 0.1547(3) 0.10709(19) -0.04651(16) 0.0209(6) Uani 1 1 d . . . . .
 O2 O 0.5049(4) 0.2196(4) 0.2087(2) 0.108(2) Uani 1 1 d . . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Pt N1 2.005(2) . ?
 Pt N2 2.010(2) . ?
 Pt N3 2.013(2) . ?
 Pt N4 2.004(2) . ?
 O1 N5 1.206(5) . ?
 N1 C8 1.376(4) . ?
 N1 C11 1.379(4) . ?
 N2 C65 1.378(4) . ?
 N2 C68 1.383(4) . ?
 N3 C46 1.377(4) . ?
 N3 C49 1.383(4) . ?
 N4 C27 1.380(4) . ?
 N4 C30 1.377(4) . ?
 N5 C5 1.473(4) . ?
 N5 O2 1.215(5) . ?
 C1 C2 1.494(4) . ?
 C1 C8 1.397(4) . ?
 C1 C68 1.397(4) . ?
 C2 C3 1.387(5) . ?
 C2 C7 1.404(5) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.382(5) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.364(5) . ?
 C5 C6 1.394(5) . ?
 C6 H6 0.9300 . ?
 C6 C7 1.383(5) . ?
 C7 H7 0.9300 . ?
 C8 C9 1.429(4) . ?
 C9 H9 0.9300 . ?
 C9 C10 1.345(5) . ?
 C10 H10 0.9300 . ?
 C10 C11 1.438(4) . ?
 C11 C12 1.386(4) . ?
 C12 C13 1.501(4) . ?
 C12 C27 1.390(4) . ?
 C13 C14 1.385(4) . ?
 C13 C18 1.399(4) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.396(4) . ?
 C15 C16 1.396(4) . ?
 C15 C19 1.535(4) . ?
 C16 H16 0.9300 . ?
 C16 C17 1.401(4) . ?
 C17 C18 1.387(4) . ?
 C17 C23 1.541(4) . ?
 C18 H18 0.9300 . ?
 C19 C20 1.535(4) . ?
 C19 C21 1.532(4) . ?
 C19 C22 1.534(4) . ?
 C20 H20A 0.9600 . ?
 C20 H20B 0.9600 . ?
 C20 H20C 0.9600 . ?
 C21 H21A 0.9600 . ?
 C21 H21B 0.9600 . ?
 C21 H21C 0.9600 . ?
 C22 H22A 0.9600 . ?
 C22 H22B 0.9600 . ?
 C22 H22C 0.9600 . ?
 C23 C24 1.530(5) . ?
 C23 C25 1.534(5) . ?
 C23 C26 1.514(5) . ?
 C24 H24A 0.9600 . ?
 C24 H24B 0.9600 . ?
 C24 H24C 0.9600 . ?
 C25 H25A 0.9600 . ?
 C25 H25B 0.9600 . ?
 C25 H25C 0.9600 . ?
 C26 H26A 0.9600 . ?
 C26 H26B 0.9600 . ?
 C26 H26C 0.9600 . ?
 C27 C28 1.436(4) . ?
 C28 H28 0.9300 . ?
 C28 C29 1.352(4) . ?
 C29 H29 0.9300 . ?
 C29 C30 1.443(4) . ?
 C30 C31 1.390(4) . ?
 C31 C32 1.502(4) . ?
 C31 C46 1.399(4) . ?
 C32 C33 1.385(4) . ?
 C32 C37 1.399(4) . ?
 C33 H33 0.9300 . ?
 C33 C34 1.391(5) . ?
 C34 C35 1.391(4) . ?
 C34 C38 1.541(5) . ?
 C35 H35 0.9300 . ?
 C35 C36 1.402(4) . ?
 C36 C37 1.399(4) . ?
 C36 C42 1.533(4) . ?
 C37 H37 0.9300 . ?
 C38 C39 1.540(6) . ?
 C38 C40 1.527(6) . ?
 C38 C41 1.521(6) . ?
 C39 H39A 0.9600 . ?
 C39 H39B 0.9600 . ?
 C39 H39C 0.9600 . ?
 C40 H40A 0.9600 . ?
 C40 H40B 0.9600 . ?
 C40 H40C 0.9600 . ?
 C41 H41A 0.9600 . ?
 C41 H41B 0.9600 . ?
 C41 H41C 0.9600 . ?
 C42 C43 1.539(4) . ?
 C42 C44 1.533(4) . ?
 C42 C45 1.534(4) . ?
 C43 H43A 0.9600 . ?
 C43 H43B 0.9600 . ?
 C43 H43C 0.9600 . ?
 C44 H44A 0.9600 . ?
 C44 H44B 0.9600 . ?
 C44 H44C 0.9600 . ?
 C45 H45A 0.9600 . ?
 C45 H45B 0.9600 . ?
 C45 H45C 0.9600 . ?
 C46 C47 1.440(5) . ?
 C47 H47 0.9300 . ?
 C47 C48 1.347(5) . ?
 C48 H48 0.9300 . ?
 C48 C49 1.438(5) . ?
 C49 C50 1.387(4) . ?
 C50 C51 1.503(4) . ?
 C50 C65 1.389(4) . ?
 C51 C52 1.386(5) . ?
 C51 C56 1.392(5) . ?
 C52 H52 0.9300 . ?
 C52 C53 1.397(4) . ?
 C53 C54 1.400(5) . ?
 C53 C57 1.535(4) . ?
 C54 H54 0.9300 . ?
 C54 C55 1.390(4) . ?
 C55 C56 1.393(4) . ?
 C55 C61 1.532(5) . ?
 C56 H56 0.9300 . ?
 C57 C58 1.506(5) . ?
 C57 C59 1.507(6) . ?
 C57 C60 1.541(6) . ?
 C58 H58A 0.9600 . ?
 C58 H58B 0.9600 . ?
 C58 H58C 0.9600 . ?
 C59 H59A 0.9600 . ?
 C59 H59B 0.9600 . ?
 C59 H59C 0.9600 . ?
 C60 H60A 0.9600 . ?
 C60 H60B 0.9600 . ?
 C60 H60C 0.9600 . ?
 C61 C62 1.514(5) . ?
 C61 C63 1.547(5) . ?
 C61 C64 1.521(6) . ?
 C62 H62A 0.9600 . ?
 C62 H62B 0.9600 . ?
 C62 H62C 0.9600 . ?
 C63 H63A 0.9600 . ?
 C63 H63B 0.9600 . ?
 C63 H63C 0.9600 . ?
 C64 H64A 0.9600 . ?
 C64 H64B 0.9600 . ?
 C64 H64C 0.9600 . ?
 C65 C66 1.441(4) . ?
 C66 H66 0.9300 . ?
 C66 C67 1.348(5) . ?
 C67 H67 0.9300 . ?
 C67 C68 1.439(4) . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 N1 Pt N2 90.13(10) . . ?
 N1 Pt N3 178.60(10) . . ?
 N2 Pt N3 90.29(10) . . ?
 N4 Pt N1 89.91(10) . . ?
 N4 Pt N2 179.30(10) . . ?
 N4 Pt N3 89.69(10) . . ?
 C8 N1 Pt 126.9(2) . . ?
 C8 N1 C11 106.2(2) . . ?
 C11 N1 Pt 126.9(2) . . ?
 C65 N2 Pt 126.7(2) . . ?
 C65 N2 C68 106.1(2) . . ?
 C68 N2 Pt 127.1(2) . . ?
 C46 N3 Pt 126.8(2) . . ?
 C46 N3 C49 106.3(2) . . ?
 C49 N3 Pt 126.4(2) . . ?
 C27 N4 Pt 126.93(19) . . ?
 C30 N4 Pt 127.0(2) . . ?
 C30 N4 C27 106.0(2) . . ?
 O1 N5 C5 118.7(3) . . ?
 O1 N5 O2 123.4(3) . . ?
 O2 N5 C5 117.8(3) . . ?
 C8 C1 C2 116.7(3) . . ?
 C68 C1 C2 118.8(3) . . ?
 C68 C1 C8 124.6(3) . . ?
 C3 C2 C1 121.2(3) . . ?
 C3 C2 C7 119.2(3) . . ?
 C7 C2 C1 119.5(3) . . ?
 C2 C3 H3 119.6 . . ?
 C4 C3 C2 120.8(3) . . ?
 C4 C3 H3 119.6 . . ?
 C3 C4 H4 120.7 . . ?
 C5 C4 C3 118.7(3) . . ?
 C5 C4 H4 120.7 . . ?
 C4 C5 N5 118.4(3) . . ?
 C4 C5 C6 123.0(3) . . ?
 C6 C5 N5 118.5(3) . . ?
 C5 C6 H6 121.2 . . ?
 C7 C6 C5 117.7(3) . . ?
 C7 C6 H6 121.2 . . ?
 C2 C7 H7 119.7 . . ?
 C6 C7 C2 120.6(3) . . ?
 C6 C7 H7 119.7 . . ?
 N1 C8 C1 125.5(3) . . ?
 N1 C8 C9 109.7(3) . . ?
 C1 C8 C9 124.7(3) . . ?
 C8 C9 H9 126.2 . . ?
 C10 C9 C8 107.5(3) . . ?
 C10 C9 H9 126.2 . . ?
 C9 C10 H10 126.3 . . ?
 C9 C10 C11 107.3(3) . . ?
 C11 C10 H10 126.3 . . ?
 N1 C11 C10 109.3(3) . . ?
 N1 C11 C12 125.9(3) . . ?
 C12 C11 C10 124.8(3) . . ?
 C11 C12 C13 117.8(3) . . ?
 C11 C12 C27 124.1(3) . . ?
 C27 C12 C13 118.0(3) . . ?
 C14 C13 C12 120.6(3) . . ?
 C14 C13 C18 119.7(3) . . ?
 C18 C13 C12 119.6(2) . . ?
 C13 C14 H14 119.4 . . ?
 C13 C14 C15 121.2(3) . . ?
 C15 C14 H14 119.4 . . ?
 C14 C15 C16 117.9(3) . . ?
 C14 C15 C19 120.0(3) . . ?
 C16 C15 C19 122.1(3) . . ?
 C15 C16 H16 119.0 . . ?
 C15 C16 C17 122.1(3) . . ?
 C17 C16 H16 119.0 . . ?
 C16 C17 C23 119.8(3) . . ?
 C18 C17 C16 118.3(3) . . ?
 C18 C17 C23 121.9(3) . . ?
 C13 C18 H18 119.6 . . ?
 C17 C18 C13 120.7(3) . . ?
 C17 C18 H18 119.6 . . ?
 C15 C19 C20 110.3(2) . . ?
 C21 C19 C15 112.1(2) . . ?
 C21 C19 C20 108.9(3) . . ?
 C21 C19 C22 108.9(3) . . ?
 C22 C19 C15 108.0(2) . . ?
 C22 C19 C20 108.5(3) . . ?
 C19 C20 H20A 109.5 . . ?
 C19 C20 H20B 109.5 . . ?
 C19 C20 H20C 109.5 . . ?
 H20A C20 H20B 109.5 . . ?
 H20A C20 H20C 109.5 . . ?
 H20B C20 H20C 109.5 . . ?
 C19 C21 H21A 109.5 . . ?
 C19 C21 H21B 109.5 . . ?
 C19 C21 H21C 109.5 . . ?
 H21A C21 H21B 109.5 . . ?
 H21A C21 H21C 109.5 . . ?
 H21B C21 H21C 109.5 . . ?
 C19 C22 H22A 109.5 . . ?
 C19 C22 H22B 109.5 . . ?
 C19 C22 H22C 109.5 . . ?
 H22A C22 H22B 109.5 . . ?
 H22A C22 H22C 109.5 . . ?
 H22B C22 H22C 109.5 . . ?
 C24 C23 C17 110.2(3) . . ?
 C24 C23 C25 108.5(3) . . ?
 C25 C23 C17 109.3(3) . . ?
 C26 C23 C17 112.5(3) . . ?
 C26 C23 C24 107.8(3) . . ?
 C26 C23 C25 108.4(3) . . ?
 C23 C24 H24A 109.5 . . ?
 C23 C24 H24B 109.5 . . ?
 C23 C24 H24C 109.5 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 C23 C25 H25A 109.5 . . ?
 C23 C25 H25B 109.5 . . ?
 C23 C25 H25C 109.5 . . ?
 H25A C25 H25B 109.5 . . ?
 H25A C25 H25C 109.5 . . ?
 H25B C25 H25C 109.5 . . ?
 C23 C26 H26A 109.5 . . ?
 C23 C26 H26B 109.5 . . ?
 C23 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 N4 C27 C12 125.7(3) . . ?
 N4 C27 C28 110.1(2) . . ?
 C12 C27 C28 124.1(3) . . ?
 C27 C28 H28 126.5 . . ?
 C29 C28 C27 107.0(3) . . ?
 C29 C28 H28 126.5 . . ?
 C28 C29 H29 126.3 . . ?
 C28 C29 C30 107.3(3) . . ?
 C30 C29 H29 126.3 . . ?
 N4 C30 C29 109.6(3) . . ?
 N4 C30 C31 126.3(3) . . ?
 C31 C30 C29 124.1(3) . . ?
 C30 C31 C32 117.4(3) . . ?
 C30 C31 C46 123.4(3) . . ?
 C46 C31 C32 119.0(3) . . ?
 C33 C32 C31 117.1(3) . . ?
 C33 C32 C37 119.7(3) . . ?
 C37 C32 C31 123.3(3) . . ?
 C32 C33 H33 119.3 . . ?
 C32 C33 C34 121.3(3) . . ?
 C34 C33 H33 119.3 . . ?
 C33 C34 C38 118.4(3) . . ?
 C35 C34 C33 118.2(3) . . ?
 C35 C34 C38 123.4(3) . . ?
 C34 C35 H35 118.9 . . ?
 C34 C35 C36 122.2(3) . . ?
 C36 C35 H35 118.9 . . ?
 C35 C36 C42 122.2(3) . . ?
 C37 C36 C35 118.0(3) . . ?
 C37 C36 C42 119.8(3) . . ?
 C32 C37 C36 120.5(3) . . ?
 C32 C37 H37 119.7 . . ?
 C36 C37 H37 119.7 . . ?
 C39 C38 C34 108.7(3) . . ?
 C40 C38 C34 109.0(3) . . ?
 C40 C38 C39 109.2(3) . . ?
 C41 C38 C34 112.3(3) . . ?
 C41 C38 C39 109.5(4) . . ?
 C41 C38 C40 108.1(4) . . ?
 C38 C39 H39A 109.5 . . ?
 C38 C39 H39B 109.5 . . ?
 C38 C39 H39C 109.5 . . ?
 H39A C39 H39B 109.5 . . ?
 H39A C39 H39C 109.5 . . ?
 H39B C39 H39C 109.5 . . ?
 C38 C40 H40A 109.5 . . ?
 C38 C40 H40B 109.5 . . ?
 C38 C40 H40C 109.5 . . ?
 H40A C40 H40B 109.5 . . ?
 H40A C40 H40C 109.5 . . ?
 H40B C40 H40C 109.5 . . ?
 C38 C41 H41A 109.5 . . ?
 C38 C41 H41B 109.5 . . ?
 C38 C41 H41C 109.5 . . ?
 H41A C41 H41B 109.5 . . ?
 H41A C41 H41C 109.5 . . ?
 H41B C41 H41C 109.5 . . ?
 C36 C42 C43 109.8(2) . . ?
 C36 C42 C45 108.9(3) . . ?
 C44 C42 C36 112.7(2) . . ?
 C44 C42 C43 107.7(3) . . ?
 C44 C42 C45 108.1(3) . . ?
 C45 C42 C43 109.6(3) . . ?
 C42 C43 H43A 109.5 . . ?
 C42 C43 H43B 109.5 . . ?
 C42 C43 H43C 109.5 . . ?
 H43A C43 H43B 109.5 . . ?
 H43A C43 H43C 109.5 . . ?
 H43B C43 H43C 109.5 . . ?
 C42 C44 H44A 109.5 . . ?
 C42 C44 H44B 109.5 . . ?
 C42 C44 H44C 109.5 . . ?
 H44A C44 H44B 109.5 . . ?
 H44A C44 H44C 109.5 . . ?
 H44B C44 H44C 109.5 . . ?
 C42 C45 H45A 109.5 . . ?
 C42 C45 H45B 109.5 . . ?
 C42 C45 H45C 109.5 . . ?
 H45A C45 H45B 109.5 . . ?
 H45A C45 H45C 109.5 . . ?
 H45B C45 H45C 109.5 . . ?
 N3 C46 C31 125.9(3) . . ?
 N3 C46 C47 109.5(3) . . ?
 C31 C46 C47 124.6(3) . . ?
 C46 C47 H47 126.3 . . ?
 C48 C47 C46 107.3(3) . . ?
 C48 C47 H47 126.3 . . ?
 C47 C48 H48 126.2 . . ?
 C47 C48 C49 107.5(3) . . ?
 C49 C48 H48 126.2 . . ?
 N3 C49 C48 109.3(3) . . ?
 N3 C49 C50 126.1(3) . . ?
 C50 C49 C48 124.4(3) . . ?
 C49 C50 C51 117.5(3) . . ?
 C49 C50 C65 124.4(3) . . ?
 C65 C50 C51 117.6(3) . . ?
 C52 C51 C50 121.9(3) . . ?
 C52 C51 C56 120.0(3) . . ?
 C56 C51 C50 118.1(3) . . ?
 C51 C52 H52 119.7 . . ?
 C51 C52 C53 120.6(3) . . ?
 C53 C52 H52 119.7 . . ?
 C52 C53 C54 118.1(3) . . ?
 C52 C53 C57 120.2(3) . . ?
 C54 C53 C57 121.7(3) . . ?
 C53 C54 H54 118.8 . . ?
 C55 C54 C53 122.4(3) . . ?
 C55 C54 H54 118.8 . . ?
 C54 C55 C56 117.9(3) . . ?
 C54 C55 C61 122.2(3) . . ?
 C56 C55 C61 119.9(3) . . ?
 C51 C56 C55 121.0(3) . . ?
 C51 C56 H56 119.5 . . ?
 C55 C56 H56 119.5 . . ?
 C53 C57 C60 112.6(3) . . ?
 C58 C57 C53 110.0(3) . . ?
 C58 C57 C59 110.2(4) . . ?
 C58 C57 C60 106.4(4) . . ?
 C59 C57 C53 109.3(3) . . ?
 C59 C57 C60 108.3(4) . . ?
 C57 C58 H58A 109.5 . . ?
 C57 C58 H58B 109.5 . . ?
 C57 C58 H58C 109.5 . . ?
 H58A C58 H58B 109.5 . . ?
 H58A C58 H58C 109.5 . . ?
 H58B C58 H58C 109.5 . . ?
 C57 C59 H59A 109.5 . . ?
 C57 C59 H59B 109.5 . . ?
 C57 C59 H59C 109.5 . . ?
 H59A C59 H59B 109.5 . . ?
 H59A C59 H59C 109.5 . . ?
 H59B C59 H59C 109.5 . . ?
 C57 C60 H60A 109.5 . . ?
 C57 C60 H60B 109.5 . . ?
 C57 C60 H60C 109.5 . . ?
 H60A C60 H60B 109.5 . . ?
 H60A C60 H60C 109.5 . . ?
 H60B C60 H60C 109.5 . . ?
 C55 C61 C63 108.4(3) . . ?
 C62 C61 C55 113.1(3) . . ?
 C62 C61 C63 108.3(3) . . ?
 C62 C61 C64 109.1(4) . . ?
 C64 C61 C55 109.4(3) . . ?
 C64 C61 C63 108.4(4) . . ?
 C61 C62 H62A 109.5 . . ?
 C61 C62 H62B 109.5 . . ?
 C61 C62 H62C 109.5 . . ?
 H62A C62 H62B 109.5 . . ?
 H62A C62 H62C 109.5 . . ?
 H62B C62 H62C 109.5 . . ?
 C61 C63 H63A 109.5 . . ?
 C61 C63 H63B 109.5 . . ?
 C61 C63 H63C 109.5 . . ?
 H63A C63 H63B 109.5 . . ?
 H63A C63 H63C 109.5 . . ?
 H63B C63 H63C 109.5 . . ?
 C61 C64 H64A 109.5 . . ?
 C61 C64 H64B 109.5 . . ?
 C61 C64 H64C 109.5 . . ?
 H64A C64 H64B 109.5 . . ?
 H64A C64 H64C 109.5 . . ?
 H64B C64 H64C 109.5 . . ?
 N2 C65 C50 125.9(3) . . ?
 N2 C65 C66 109.6(3) . . ?
 C50 C65 C66 124.2(3) . . ?
 C65 C66 H66 126.4 . . ?
 C67 C66 C65 107.2(3) . . ?
 C67 C66 H66 126.4 . . ?
 C66 C67 H67 126.3 . . ?
 C66 C67 C68 107.4(3) . . ?
 C68 C67 H67 126.3 . . ?
 N2 C68 C1 124.9(3) . . ?
 N2 C68 C67 109.5(3) . . ?
 C1 C68 C67 125.5(3) . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Pt N1 C8 C1 5.3(5) . . . . ?
 Pt N1 C8 C9 -178.9(2) . . . . ?
 Pt N1 C11 C10 179.9(2) . . . . ?
 Pt N1 C11 C12 2.2(4) . . . . ?
 Pt N2 C65 C50 -4.8(5) . . . . ?
 Pt N2 C65 C66 -179.6(2) . . . . ?
 Pt N2 C68 C1 1.4(5) . . . . ?
 Pt N2 C68 C67 179.1(2) . . . . ?
 Pt N3 C46 C31 6.8(5) . . . . ?
 Pt N3 C46 C47 -172.2(3) . . . . ?
 Pt N3 C49 C48 172.8(3) . . . . ?
 Pt N3 C49 C50 -2.5(5) . . . . ?
 Pt N4 C27 C12 -4.4(4) . . . . ?
 Pt N4 C27 C28 179.90(18) . . . . ?
 Pt N4 C30 C29 179.46(18) . . . . ?
 Pt N4 C30 C31 -1.1(4) . . . . ?
 O1 N5 C5 C4 3.0(6) . . . . ?
 O1 N5 C5 C6 -174.8(4) . . . . ?
 N1 C8 C9 C10 -0.8(4) . . . . ?
 N1 C11 C12 C13 -179.0(3) . . . . ?
 N1 C11 C12 C27 3.7(5) . . . . ?
 N2 C65 C66 C67 2.1(4) . . . . ?
 N3 C46 C47 C48 -0.8(5) . . . . ?
 N3 C49 C50 C51 174.3(3) . . . . ?
 N3 C49 C50 C65 1.7(6) . . . . ?
 N4 C27 C28 C29 1.3(3) . . . . ?
 N4 C30 C31 C32 168.9(3) . . . . ?
 N4 C30 C31 C46 -5.7(5) . . . . ?
 N5 C5 C6 C7 177.9(4) . . . . ?
 C1 C2 C3 C4 176.2(3) . . . . ?
 C1 C2 C7 C6 -176.5(3) . . . . ?
 C1 C8 C9 C10 175.0(3) . . . . ?
 C2 C1 C8 N1 -174.8(3) . . . . ?
 C2 C1 C8 C9 10.0(5) . . . . ?
 C2 C1 C68 N2 171.4(3) . . . . ?
 C2 C1 C68 C67 -6.0(5) . . . . ?
 C2 C3 C4 C5 0.8(5) . . . . ?
 C3 C2 C7 C6 0.8(5) . . . . ?
 C3 C4 C5 N5 -178.1(3) . . . . ?
 C3 C4 C5 C6 -0.5(6) . . . . ?
 C4 C5 C6 C7 0.3(6) . . . . ?
 C5 C6 C7 C2 -0.4(6) . . . . ?
 C7 C2 C3 C4 -1.0(5) . . . . ?
 C8 N1 C11 C10 1.3(3) . . . . ?
 C8 N1 C11 C12 -176.4(3) . . . . ?
 C8 C1 C2 C3 -106.6(4) . . . . ?
 C8 C1 C2 C7 70.7(4) . . . . ?
 C8 C1 C68 N2 -8.2(5) . . . . ?
 C8 C1 C68 C67 174.4(3) . . . . ?
 C8 C9 C10 C11 1.6(4) . . . . ?
 C9 C10 C11 N1 -1.9(4) . . . . ?
 C9 C10 C11 C12 175.9(3) . . . . ?
 C10 C11 C12 C13 3.6(4) . . . . ?
 C10 C11 C12 C27 -173.8(3) . . . . ?
 C11 N1 C8 C1 -176.2(3) . . . . ?
 C11 N1 C8 C9 -0.4(4) . . . . ?
 C11 C12 C13 C14 -71.6(4) . . . . ?
 C11 C12 C13 C18 107.9(3) . . . . ?
 C11 C12 C27 N4 -2.5(5) . . . . ?
 C11 C12 C27 C28 172.6(3) . . . . ?
 C12 C13 C14 C15 178.8(3) . . . . ?
 C12 C13 C18 C17 -179.2(3) . . . . ?
 C12 C27 C28 C29 -174.5(3) . . . . ?
 C13 C12 C27 N4 -179.9(3) . . . . ?
 C13 C12 C27 C28 -4.7(4) . . . . ?
 C13 C14 C15 C16 0.7(4) . . . . ?
 C13 C14 C15 C19 178.9(3) . . . . ?
 C14 C13 C18 C17 0.2(4) . . . . ?
 C14 C15 C16 C17 -0.3(4) . . . . ?
 C14 C15 C19 C20 45.3(4) . . . . ?
 C14 C15 C19 C21 166.9(3) . . . . ?
 C14 C15 C19 C22 -73.1(3) . . . . ?
 C15 C16 C17 C18 -0.1(4) . . . . ?
 C15 C16 C17 C23 179.6(3) . . . . ?
 C16 C15 C19 C20 -136.7(3) . . . . ?
 C16 C15 C19 C21 -15.1(4) . . . . ?
 C16 C15 C19 C22 104.9(3) . . . . ?
 C16 C17 C18 C13 0.2(4) . . . . ?
 C16 C17 C23 C24 54.2(4) . . . . ?
 C16 C17 C23 C25 -64.9(4) . . . . ?
 C16 C17 C23 C26 174.6(3) . . . . ?
 C18 C13 C14 C15 -0.7(4) . . . . ?
 C18 C17 C23 C24 -126.1(3) . . . . ?
 C18 C17 C23 C25 114.8(3) . . . . ?
 C18 C17 C23 C26 -5.8(4) . . . . ?
 C19 C15 C16 C17 -178.4(3) . . . . ?
 C23 C17 C18 C13 -179.5(3) . . . . ?
 C27 N4 C30 C29 0.4(3) . . . . ?
 C27 N4 C30 C31 179.9(3) . . . . ?
 C27 C12 C13 C14 106.0(3) . . . . ?
 C27 C12 C13 C18 -74.6(4) . . . . ?
 C27 C28 C29 C30 -1.0(3) . . . . ?
 C28 C29 C30 N4 0.4(3) . . . . ?
 C28 C29 C30 C31 -179.1(3) . . . . ?
 C29 C30 C31 C32 -11.7(4) . . . . ?
 C29 C30 C31 C46 173.8(3) . . . . ?
 C30 N4 C27 C12 174.7(3) . . . . ?
 C30 N4 C27 C28 -1.0(3) . . . . ?
 C30 C31 C32 C33 -63.0(4) . . . . ?
 C30 C31 C32 C37 118.3(3) . . . . ?
 C30 C31 C46 N3 2.6(5) . . . . ?
 C30 C31 C46 C47 -178.6(3) . . . . ?
 C31 C32 C33 C34 -178.1(3) . . . . ?
 C31 C32 C37 C36 177.0(3) . . . . ?
 C31 C46 C47 C48 -179.7(4) . . . . ?
 C32 C31 C46 N3 -171.9(3) . . . . ?
 C32 C31 C46 C47 6.9(5) . . . . ?
 C32 C33 C34 C35 0.6(5) . . . . ?
 C32 C33 C34 C38 -179.3(3) . . . . ?
 C33 C32 C37 C36 -1.7(5) . . . . ?
 C33 C34 C35 C36 -0.7(5) . . . . ?
 C33 C34 C38 C39 -55.6(5) . . . . ?
 C33 C34 C38 C40 63.4(4) . . . . ?
 C33 C34 C38 C41 -176.8(4) . . . . ?
 C34 C35 C36 C37 -0.4(5) . . . . ?
 C34 C35 C36 C42 178.3(3) . . . . ?
 C35 C34 C38 C39 124.6(4) . . . . ?
 C35 C34 C38 C40 -116.4(4) . . . . ?
 C35 C34 C38 C41 3.3(6) . . . . ?
 C35 C36 C37 C32 1.5(5) . . . . ?
 C35 C36 C42 C43 120.8(3) . . . . ?
 C35 C36 C42 C44 0.7(4) . . . . ?
 C35 C36 C42 C45 -119.2(3) . . . . ?
 C37 C32 C33 C34 0.6(5) . . . . ?
 C37 C36 C42 C43 -60.5(4) . . . . ?
 C37 C36 C42 C44 179.4(3) . . . . ?
 C37 C36 C42 C45 59.5(4) . . . . ?
 C38 C34 C35 C36 179.2(3) . . . . ?
 C42 C36 C37 C32 -177.2(3) . . . . ?
 C46 N3 C49 C48 0.4(4) . . . . ?
 C46 N3 C49 C50 -174.9(3) . . . . ?
 C46 C31 C32 C33 111.8(3) . . . . ?
 C46 C31 C32 C37 -66.9(4) . . . . ?
 C46 C47 C48 C49 1.0(5) . . . . ?
 C47 C48 C49 N3 -0.9(5) . . . . ?
 C47 C48 C49 C50 174.5(4) . . . . ?
 C48 C49 C50 C51 -0.3(5) . . . . ?
 C48 C49 C50 C65 -172.9(4) . . . . ?
 C49 N3 C46 C31 179.2(3) . . . . ?
 C49 N3 C46 C47 0.2(4) . . . . ?
 C49 C50 C51 C52 82.1(4) . . . . ?
 C49 C50 C51 C56 -97.5(4) . . . . ?
 C49 C50 C65 N2 2.2(5) . . . . ?
 C49 C50 C65 C66 176.2(3) . . . . ?
 C50 C51 C52 C53 179.8(3) . . . . ?
 C50 C51 C56 C55 179.8(3) . . . . ?
 C50 C65 C66 C67 -172.8(3) . . . . ?
 C51 C50 C65 N2 -170.4(3) . . . . ?
 C51 C50 C65 C66 3.7(5) . . . . ?
 C51 C52 C53 C54 0.7(4) . . . . ?
 C51 C52 C53 C57 -179.2(3) . . . . ?
 C52 C51 C56 C55 0.1(5) . . . . ?
 C52 C53 C54 C55 -0.3(4) . . . . ?
 C52 C53 C57 C58 54.0(4) . . . . ?
 C52 C53 C57 C59 -67.1(4) . . . . ?
 C52 C53 C57 C60 172.5(4) . . . . ?
 C53 C54 C55 C56 -0.2(4) . . . . ?
 C53 C54 C55 C61 179.5(3) . . . . ?
 C54 C53 C57 C58 -125.9(4) . . . . ?
 C54 C53 C57 C59 113.0(4) . . . . ?
 C54 C53 C57 C60 -7.4(5) . . . . ?
 C54 C55 C56 C51 0.2(4) . . . . ?
 C54 C55 C61 C62 4.7(5) . . . . ?
 C54 C55 C61 C63 -115.4(4) . . . . ?
 C54 C55 C61 C64 126.6(4) . . . . ?
 C56 C51 C52 C53 -0.6(5) . . . . ?
 C56 C55 C61 C62 -175.7(3) . . . . ?
 C56 C55 C61 C63 64.2(4) . . . . ?
 C56 C55 C61 C64 -53.8(4) . . . . ?
 C57 C53 C54 C55 179.6(3) . . . . ?
 C61 C55 C56 C51 -179.4(3) . . . . ?
 C65 N2 C68 C1 -175.7(3) . . . . ?
 C65 N2 C68 C67 2.1(3) . . . . ?
 C65 C50 C51 C52 -104.9(4) . . . . ?
 C65 C50 C51 C56 75.5(4) . . . . ?
 C65 C66 C67 C68 -0.8(4) . . . . ?
 C66 C67 C68 N2 -0.8(4) . . . . ?
 C66 C67 C68 C1 176.9(3) . . . . ?
 C68 N2 C65 C50 172.2(3) . . . . ?
 C68 N2 C65 C66 -2.6(3) . . . . ?
 C68 C1 C2 C3 73.9(4) . . . . ?
 C68 C1 C2 C7 -108.9(4) . . . . ?
 C68 C1 C8 N1 4.7(5) . . . . ?
 C68 C1 C8 C9 -170.5(3) . . . . ?
 O2 N5 C5 C4 179.3(5) . . . . ?
 O2 N5 C5 C6 1.6(7) . . . . ?

_smtbx_masks_special_details       ?
loop_
  _smtbx_masks_void_nr
  _smtbx_masks_void_average_x
  _smtbx_masks_void_average_y
  _smtbx_masks_void_average_z
  _smtbx_masks_void_volume
  _smtbx_masks_void_count_electrons
  _smtbx_masks_void_content
 1 0.500 0.000 0.500 581.3 127.7 ?
 2 0.172 0.622 0.701 8.1 0.0 ?
 3 0.828 0.378 0.299 8.1 0.0 ?

_smtbx_masks_void_probe_radius     1.2
_smtbx_masks_void_truncation_radius  1.2
_olex2_submission_special_instructions  'No special instructions were received'
