data_1
_audit_creation_date               2024-11-01
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_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           'C54 H36 Cl2 N4 O4 P2 Pt2'
_chemical_formula_sum              'C54 H36 Cl2 N4 O4 P2 Pt2'
_chemical_formula_weight           1327.89
_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'
 'Cl' 'Cl' 0.1484 0.1585 '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'
 'P' 'P' 0.1023 0.0942 '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                     9.8798(13)
_cell_length_b                     14.6422(19)
_cell_length_c                     18.604(2)
_cell_angle_alpha                  107.068(3)
_cell_angle_beta                   97.771(3)
_cell_angle_gamma                  102.798(3)
_cell_volume                       2450.2(6)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      37404
_cell_measurement_temperature      193(2)
_cell_measurement_theta_max        49.99
_cell_measurement_theta_min        2.69
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      5.928
_exptl_absorpt_correction_T_max    ?
_exptl_absorpt_correction_T_min    ?
_exptl_absorpt_correction_type     ?
_exptl_absorpt_process_details     ?
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              yellow
_exptl_crystal_density_diffrn      1.800
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1280
_exptl_crystal_size_max            0.14
_exptl_crystal_size_mid            0.13
_exptl_crystal_size_min            0.12
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0840
_diffrn_reflns_av_unetI/netI       0.0999
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.999
_diffrn_reflns_limit_h_max         11
_diffrn_reflns_limit_h_min         -11
_diffrn_reflns_limit_k_max         14
_diffrn_reflns_limit_k_min         -17
_diffrn_reflns_limit_l_max         22
_diffrn_reflns_limit_l_min         -22
_diffrn_reflns_number              30271
_diffrn_reflns_point_group_measured_fraction_full  0.999
_diffrn_reflns_point_group_measured_fraction_max  0.999
_diffrn_reflns_theta_full          24.999
_diffrn_reflns_theta_max           24.999
_diffrn_reflns_theta_min           2.164
_diffrn_ambient_temperature        193.0
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.999
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     ?
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  5292
_reflns_number_total               8627
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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_cell_refinement         ?
_computing_data_collection         ?
_computing_data_reduction          ?
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max           3.808
_refine_diff_density_min           -0.994
_refine_diff_density_rms           0.257
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.024
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       613
_refine_ls_number_reflns           8627
_refine_ls_number_restraints       396
_refine_ls_R_factor_all            0.1288
_refine_ls_R_factor_gt             0.0834
_refine_ls_restrained_S_all        1.003
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.1600P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.2329
_refine_ls_wR_factor_ref           0.2588
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
C1 \\sim C23 \\sim C32 \\sim C2 \\sim C4 \\sim C19 \\sim C31 \\sim C21 \\sim
C22 \\sim C6 \\sim C13 \\sim C28 \\sim C5 \\sim C29 \\sim C18 \\sim C35 \\sim
C24 \\sim C33 \\sim C3 \\sim C27 \\sim C20 \\sim C17 \\sim C26 \\sim C7 \\sim
C15 \\sim C16 \\sim C49 \\sim C52 \\sim C30 \\sim C14 \\sim C10 \\sim C43 \\sim
C51 \\sim C12 \\sim C9 \\sim C8 \\sim C25 \\sim C50 \\sim C48 \\sim C42 \\sim
C54 \\sim C37 \\sim C53 \\sim C34 \\sim C36 \\sim C41 \\sim C39 \\sim C11 \\sim
C38 \\sim C40 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim N1 \\sim N2 \\sim
N3 \\sim N4 \\sim O1 \\sim O4 \\sim O2 \\sim O3: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C19(H19), C31(H31), C22(H22), C6(H6), C5(H5), C33(H33),
 C3(H3), C17(H17), C26(H26), C15(H15), C16(H16), C52(H52), C14(H14), C10(H10),
 C51(H51), C12(H12), C9(H9), C8(H8), C25(H25), C50(H50), C48(H48), C54(H54),
 C53(H53), C34(H34), C36(H36), C41(H41), C39(H39), C11(H11), C38(H38), C40(H40),
  C44(H44), C45(H45), C46(H46), C47(H47)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       iterative
_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
 Pt1 Pt 0.06465(6) 0.31237(4) 0.20170(4) 0.0637(3) Uani 1 1 d . . . . .
 Pt2 Pt 1.29118(6) 0.31920(5) 0.73620(4) 0.0684(3) Uani 1 1 d . . . . .
 P1 P -0.1332(4) 0.2840(3) 0.1196(2) 0.0640(11) Uani 1 1 d . . . . .
 Cl1 Cl 0.0218(5) 0.1505(3) 0.1968(3) 0.0839(13) Uani 1 1 d . . . . .
 Cl2 Cl 1.4807(5) 0.4383(3) 0.8235(3) 0.0787(13) Uani 1 1 d . . . . .
 P2 P 1.3602(5) 0.1975(3) 0.7610(3) 0.0702(12) Uani 1 1 d . . . . .
 O1 O 0.2482(11) 0.3537(9) 0.2843(6) 0.073(3) Uani 1 1 d . U . . .
 O4 O 1.2081(11) 0.4240(7) 0.7093(6) 0.069(3) Uani 1 1 d . U . . .
 O2 O 0.6559(12) 0.3189(9) 0.4488(7) 0.088(4) Uani 1 1 d . U . . .
 N1 N 0.1309(12) 0.4560(10) 0.2163(7) 0.065(3) Uani 1 1 d . U . . .
 N2 N 0.2462(14) 0.5098(11) 0.2784(8) 0.078(4) Uani 1 1 d . U . . .
 N3 N 1.0384(14) 0.2834(10) 0.6270(8) 0.068(4) Uani 1 1 d . U . . .
 O3 O 0.8725(13) 0.7150(10) 0.5551(9) 0.096(4) Uani 1 1 d . U . . .
 C1 C -0.2880(15) 0.2713(11) 0.1634(9) 0.064(4) Uani 1 1 d . U . . .
 N4 N 1.1241(15) 0.2310(10) 0.6556(8) 0.071(4) Uani 1 1 d . U . . .
 C23 C 0.6318(15) 0.4739(12) 0.4482(8) 0.060(4) Uani 1 1 d . U . . .
 C32 C 1.0235(15) 0.4446(12) 0.6251(9) 0.069(4) Uani 1 1 d . U . . .
 C2 C -0.3165(18) 0.1975(13) 0.1922(10) 0.070(4) Uani 1 1 d . U . . .
 H2 H -0.254911 0.156018 0.192392 0.085 Uiso 1 1 calc R . . . .
 C4 C -0.5301(18) 0.2433(13) 0.2257(9) 0.073(5) Uani 1 1 d . U . . .
 H4 H -0.611201 0.233949 0.247766 0.087 Uiso 1 1 calc R . . . .
 C19 C 0.0790(15) 0.5149(14) 0.1861(9) 0.072(5) Uani 1 1 d . U . . .
 H19 H 0.122144 0.584386 0.209289 0.086 Uiso 1 1 calc R . . . .
 C31 C 0.8947(16) 0.3987(13) 0.5678(9) 0.065(4) Uani 1 1 d . U . . .
 H31 H 0.852791 0.328979 0.551199 0.078 Uiso 1 1 calc R . . . .
 C21 C 0.4343(15) 0.4932(14) 0.3639(10) 0.077(5) Uani 1 1 d . U . . .
 C22 C 0.5048(14) 0.4374(11) 0.3934(8) 0.062(4) Uani 1 1 d . U . . .
 H22 H 0.463576 0.367465 0.374888 0.075 Uiso 1 1 calc R . . . .
 C6 C -0.3744(17) 0.3352(12) 0.1662(9) 0.069(5) Uani 1 1 d . U . . .
 H6 H -0.350766 0.390040 0.148382 0.083 Uiso 1 1 calc R . . . .
 C13 C -0.1326(15) 0.3855(12) 0.0818(9) 0.060(4) Uani 1 1 d . U . . .
 C28 C 0.8329(16) 0.4590(12) 0.5370(9) 0.064(4) Uani 1 1 d . U . . .
 C5 C -0.4933(16) 0.3175(12) 0.1950(8) 0.059(4) Uani 1 1 d . U . . .
 H5 H -0.554484 0.358988 0.193852 0.070 Uiso 1 1 calc R . . . .
 C29 C 0.8896(15) 0.5595(12) 0.5639(9) 0.063(4) Uani 1 1 d . U . . .
 C18 C -0.0403(16) 0.4826(13) 0.1192(10) 0.068(4) Uani 1 1 d . U . . .
 C35 C 1.0959(15) 0.3815(11) 0.6567(9) 0.064(4) Uani 1 1 d . U . . .
 C24 C 0.6878(16) 0.5775(13) 0.4742(9) 0.071(4) Uani 1 1 d . U . . .
 C33 C 1.0771(18) 0.5421(12) 0.6502(8) 0.069(4) Uani 1 1 d . U . . .
 H33 H 1.161516 0.570426 0.689343 0.083 Uiso 1 1 calc R . . . .
 C3 C -0.4378(18) 0.1826(13) 0.2218(11) 0.073(5) Uani 1 1 d . U . . .
 H3 H -0.459648 0.128303 0.240333 0.087 Uiso 1 1 calc R . . . .
 C27 C 0.7020(16) 0.4112(14) 0.4739(9) 0.069(4) Uani 1 1 d . U . . .
 C20 C 0.2979(15) 0.4461(13) 0.3051(9) 0.065(4) Uani 1 1 d . U . . .
 C17 C -0.054(2) 0.5602(15) 0.0917(11) 0.083(5) Uani 1 1 d . U . . .
 H17 H 0.012165 0.623783 0.116149 0.100 Uiso 1 1 calc R . . . .
 C26 C 0.4941(16) 0.5956(13) 0.3900(9) 0.072(4) Uani 1 1 d . U . . .
 H26 H 0.450337 0.636918 0.369623 0.087 Uiso 1 1 calc R . . . .
 C7 C -0.1753(14) 0.1743(11) 0.0354(8) 0.064(4) Uani 1 1 d . U . . .
 C15 C -0.252(2) 0.4425(17) -0.0095(12) 0.093(6) Uani 1 1 d . U . . .
 H15 H -0.318912 0.426278 -0.056082 0.111 Uiso 1 1 calc R . . . .
 C16 C -0.1618(17) 0.5470(16) 0.0293(11) 0.087(5) Uani 1 1 d . U . . .
 H16 H -0.176675 0.600397 0.013091 0.104 Uiso 1 1 calc R . . . .
 C49 C 1.3331(18) 0.1860(14) 0.8543(10) 0.078(5) Uani 1 1 d . U . . .
 C52 C 1.3121(19) 0.1724(16) 0.9989(12) 0.090(6) Uani 1 1 d . U . . .
 H52 H 1.309226 0.165978 1.048074 0.108 Uiso 1 1 calc R . . . .
 C30 C 0.8216(18) 0.6257(13) 0.5316(11) 0.082(5) Uani 1 1 d . U . . .
 C14 C -0.2387(17) 0.3732(13) 0.0195(9) 0.072(4) Uani 1 1 d . U . . .
 H14 H -0.306323 0.309951 -0.003363 0.087 Uiso 1 1 calc R . . . .
 C10 C -0.2447(17) 0.0069(13) -0.0955(10) 0.081(5) Uani 1 1 d . U . . .
 H10 H -0.268357 -0.050421 -0.140246 0.097 Uiso 1 1 calc R . . . .
 C43 C 1.543(2) 0.2032(13) 0.7628(12) 0.085(5) Uani 1 1 d . U . . .
 C51 C 1.3591(18) 0.2663(15) 0.9884(11) 0.078(5) Uani 1 1 d . U . . .
 H51 H 1.382815 0.325297 1.031773 0.094 Uiso 1 1 calc R . . . .
 C12 C -0.3170(16) 0.1218(13) -0.0036(10) 0.075(5) Uani 1 1 d . U . . .
 H12 H -0.392686 0.145917 0.013708 0.091 Uiso 1 1 calc R . . . .
 C9 C -0.101(2) 0.0596(13) -0.0608(10) 0.083(5) Uani 1 1 d . U . . .
 H9 H -0.026795 0.039064 -0.082712 0.100 Uiso 1 1 calc R . . . .
 C8 C -0.0697(18) 0.1415(13) 0.0055(10) 0.080(5) Uani 1 1 d . U . . .
 H8 H 0.026617 0.175095 0.030460 0.097 Uiso 1 1 calc R . . . .
 C25 C 0.6179(18) 0.6361(14) 0.4459(10) 0.078(5) Uani 1 1 d . U . . .
 H25 H 0.656444 0.706225 0.465544 0.094 Uiso 1 1 calc R . . . .
 C50 C 1.3709(19) 0.2738(15) 0.9178(12) 0.087(6) Uani 1 1 d . U . . .
 H50 H 1.403913 0.336785 0.912012 0.105 Uiso 1 1 calc R . . . .
 C48 C 1.6345(19) 0.1942(15) 0.8220(12) 0.091(6) Uani 1 1 d . U . . .
 H48 H 1.604888 0.187782 0.867163 0.109 Uiso 1 1 calc R . . . .
 C42 C 1.2701(18) 0.0779(12) 0.6895(10) 0.079(5) Uani 1 1 d . U . . .
 C54 C 1.2738(19) 0.0938(14) 0.8568(12) 0.080(5) Uani 1 1 d . U . . .
 H54 H 1.237862 0.036929 0.811629 0.096 Uiso 1 1 calc R . . . .
 C37 C 1.1425(18) 0.0659(13) 0.6396(11) 0.079(5) Uani 1 1 d . U . . .
 C53 C 1.270(2) 0.0890(15) 0.9292(14) 0.096(6) Uani 1 1 d . U . . .
 H53 H 1.236178 0.025100 0.933232 0.115 Uiso 1 1 calc R . . . .
 C34 C 1.0151(16) 0.6066(14) 0.6218(10) 0.088(6) Uani 1 1 d . U . . .
 H34 H 1.055068 0.676644 0.640417 0.106 Uiso 1 1 calc R . . . .
 C36 C 1.073(2) 0.1363(13) 0.6268(11) 0.091(6) Uani 1 1 d . U . . .
 H36 H 0.981368 0.111362 0.594072 0.109 Uiso 1 1 calc R . . . .
 C41 C 1.325(2) 0.0014(14) 0.6819(12) 0.094(6) Uani 1 1 d . U . . .
 H41 H 1.416447 0.013932 0.712726 0.113 Uiso 1 1 calc R . . . .
 C39 C 1.126(2) -0.1157(14) 0.5849(12) 0.100(6) Uani 1 1 d . U . . .
 H39 H 1.075223 -0.180748 0.551409 0.121 Uiso 1 1 calc R . . . .
 C11 C -0.3464(18) 0.0394(12) -0.0640(9) 0.073(5) Uani 1 1 d . U . . .
 H11 H -0.442809 0.002355 -0.085477 0.088 Uiso 1 1 calc R . . . .
 C38 C 1.072(2) -0.0378(14) 0.5885(12) 0.102(7) Uani 1 1 d . U . . .
 H38 H 0.982587 -0.050435 0.555957 0.123 Uiso 1 1 calc R . . . .
 C40 C 1.258(2) -0.0986(14) 0.6312(12) 0.098(6) Uani 1 1 d . U . . .
 H40 H 1.302086 -0.150489 0.629485 0.118 Uiso 1 1 calc R . . . .
 C44 C 1.592(2) 0.2066(14) 0.6947(12) 0.093(6) Uani 1 1 d . U . . .
 H44 H 1.526773 0.203575 0.650977 0.112 Uiso 1 1 calc R . . . .
 C45 C 1.738(2) 0.2147(15) 0.6911(15) 0.096(6) Uani 1 1 d . U . . .
 H45 H 1.774295 0.226083 0.648691 0.116 Uiso 1 1 calc R . . . .
 C46 C 1.824(2) 0.2052(19) 0.7510(16) 0.110(7) Uani 1 1 d . U . . .
 H46 H 1.919504 0.205964 0.749287 0.132 Uiso 1 1 calc R . . . .
 C47 C 1.773(2) 0.1950(17) 0.8121(16) 0.114(7) Uani 1 1 d . U . . .
 H47 H 1.835619 0.187592 0.852106 0.137 Uiso 1 1 calc R . . . .


_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
 Pt1 P1 2.188(4) . ?
 Pt1 Cl1 2.286(5) . ?
 Pt1 O1 2.056(10) . ?
 Pt1 N1 1.983(14) . ?
 Pt2 Cl2 2.292(4) . ?
 Pt2 P2 2.188(5) . ?
 Pt2 O4 2.044(10) . ?
 Pt2 N4 1.972(13) . ?
 P1 C1 1.826(17) . ?
 P1 C13 1.820(17) . ?
 P1 C7 1.806(14) . ?
 P2 C49 1.84(2) . ?
 P2 C43 1.79(2) . ?
 P2 C42 1.803(15) . ?
 O1 C20 1.25(2) . ?
 O4 C35 1.272(16) . ?
 O2 C27 1.25(2) . ?
 N1 N2 1.402(15) . ?
 N1 C19 1.31(2) . ?
 N2 C20 1.34(2) . ?
 N3 N4 1.413(19) . ?
 N3 C35 1.333(19) . ?
 O3 C30 1.21(2) . ?
 C1 C2 1.33(2) . ?
 C1 C6 1.39(2) . ?
 N4 C36 1.28(2) . ?
 C23 C22 1.391(18) . ?
 C23 C24 1.40(2) . ?
 C23 C27 1.41(2) . ?
 C32 C31 1.43(2) . ?
 C32 C35 1.49(2) . ?
 C32 C33 1.32(2) . ?
 C2 C3 1.39(2) . ?
 C4 C5 1.37(2) . ?
 C4 C3 1.40(2) . ?
 C19 C18 1.473(19) . ?
 C31 C28 1.39(2) . ?
 C21 C22 1.37(2) . ?
 C21 C20 1.49(2) . ?
 C21 C26 1.39(2) . ?
 C6 C5 1.36(2) . ?
 C13 C18 1.42(2) . ?
 C13 C14 1.39(2) . ?
 C28 C29 1.36(2) . ?
 C28 C27 1.50(2) . ?
 C29 C30 1.51(2) . ?
 C29 C34 1.414(18) . ?
 C18 C17 1.40(2) . ?
 C24 C30 1.47(2) . ?
 C24 C25 1.38(2) . ?
 C33 C34 1.42(2) . ?
 C17 C16 1.40(2) . ?
 C26 C25 1.38(2) . ?
 C7 C12 1.414(19) . ?
 C7 C8 1.36(2) . ?
 C15 C16 1.49(3) . ?
 C15 C14 1.30(3) . ?
 C49 C50 1.40(2) . ?
 C49 C54 1.36(3) . ?
 C52 C51 1.43(3) . ?
 C52 C53 1.43(3) . ?
 C10 C9 1.41(2) . ?
 C10 C11 1.34(2) . ?
 C43 C48 1.38(2) . ?
 C43 C44 1.43(3) . ?
 C51 C50 1.37(3) . ?
 C12 C11 1.33(2) . ?
 C9 C8 1.39(2) . ?
 C48 C47 1.40(3) . ?
 C42 C37 1.41(2) . ?
 C42 C41 1.33(2) . ?
 C54 C53 1.37(3) . ?
 C37 C36 1.41(3) . ?
 C37 C38 1.48(2) . ?
 C41 C40 1.44(2) . ?
 C39 C38 1.35(3) . ?
 C39 C40 1.39(3) . ?
 C44 C45 1.44(3) . ?
 C45 C46 1.36(3) . ?
 C46 C47 1.34(3) . ?

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
 P1 Pt1 Cl1 93.45(16) . . ?
 O1 Pt1 P1 173.9(3) . . ?
 O1 Pt1 Cl1 91.7(4) . . ?
 N1 Pt1 P1 95.5(3) . . ?
 N1 Pt1 Cl1 171.1(3) . . ?
 N1 Pt1 O1 79.5(5) . . ?
 P2 Pt2 Cl2 92.96(15) . . ?
 O4 Pt2 Cl2 92.0(3) . . ?
 O4 Pt2 P2 174.7(3) . . ?
 N4 Pt2 Cl2 172.3(4) . . ?
 N4 Pt2 P2 94.5(4) . . ?
 N4 Pt2 O4 80.6(5) . . ?
 C1 P1 Pt1 112.3(5) . . ?
 C13 P1 Pt1 111.9(5) . . ?
 C13 P1 C1 105.6(8) . . ?
 C7 P1 Pt1 115.9(5) . . ?
 C7 P1 C1 105.5(7) . . ?
 C7 P1 C13 104.7(8) . . ?
 C49 P2 Pt2 113.8(6) . . ?
 C43 P2 Pt2 115.6(6) . . ?
 C43 P2 C49 104.6(9) . . ?
 C43 P2 C42 102.6(9) . . ?
 C42 P2 Pt2 112.9(6) . . ?
 C42 P2 C49 106.1(9) . . ?
 C20 O1 Pt1 108.6(11) . . ?
 C35 O4 Pt2 109.6(9) . . ?
 N2 N1 Pt1 114.5(10) . . ?
 C19 N1 Pt1 133.3(10) . . ?
 C19 N1 N2 111.6(13) . . ?
 C20 N2 N1 109.0(13) . . ?
 C35 N3 N4 111.9(12) . . ?
 C2 C1 P1 117.3(13) . . ?
 C2 C1 C6 120.9(17) . . ?
 C6 C1 P1 121.7(15) . . ?
 N3 N4 Pt2 113.0(9) . . ?
 C36 N4 Pt2 133.4(14) . . ?
 C36 N4 N3 113.5(15) . . ?
 C22 C23 C24 115.0(15) . . ?
 C22 C23 C27 122.6(15) . . ?
 C24 C23 C27 122.4(14) . . ?
 C31 C32 C35 119.3(14) . . ?
 C33 C32 C31 120.4(16) . . ?
 C33 C32 C35 120.3(13) . . ?
 C1 C2 C3 118.6(18) . . ?
 C5 C4 C3 114.3(17) . . ?
 N1 C19 C18 125.6(15) . . ?
 C28 C31 C32 118.0(15) . . ?
 C22 C21 C20 121.3(16) . . ?
 C22 C21 C26 117.8(13) . . ?
 C26 C21 C20 120.9(16) . . ?
 C21 C22 C23 125.7(15) . . ?
 C5 C6 C1 118.6(17) . . ?
 C18 C13 P1 122.9(12) . . ?
 C14 C13 P1 119.7(12) . . ?
 C14 C13 C18 116.8(15) . . ?
 C31 C28 C27 118.5(15) . . ?
 C29 C28 C31 120.7(13) . . ?
 C29 C28 C27 120.8(15) . . ?
 C6 C5 C4 124.0(16) . . ?
 C28 C29 C30 121.0(13) . . ?
 C28 C29 C34 122.2(16) . . ?
 C34 C29 C30 116.8(15) . . ?
 C13 C18 C19 127.3(16) . . ?
 C17 C18 C19 112.2(15) . . ?
 C17 C18 C13 120.5(15) . . ?
 O4 C35 N3 124.6(14) . . ?
 O4 C35 C32 118.3(13) . . ?
 N3 C35 C32 117.1(12) . . ?
 C23 C24 C30 120.6(16) . . ?
 C25 C24 C23 120.6(14) . . ?
 C25 C24 C30 118.8(16) . . ?
 C32 C33 C34 123.3(15) . . ?
 C2 C3 C4 123.5(18) . . ?
 O2 C27 C23 122.8(14) . . ?
 O2 C27 C28 119.1(15) . . ?
 C23 C27 C28 118.0(15) . . ?
 O1 C20 N2 127.5(14) . . ?
 O1 C20 C21 118.2(16) . . ?
 N2 C20 C21 114.2(15) . . ?
 C18 C17 C16 122.1(18) . . ?
 C25 C26 C21 118.9(16) . . ?
 C12 C7 P1 122.0(12) . . ?
 C8 C7 P1 120.4(11) . . ?
 C8 C7 C12 117.6(14) . . ?
 C14 C15 C16 120.9(17) . . ?
 C17 C16 C15 114.7(19) . . ?
 C50 C49 P2 117.2(16) . . ?
 C54 C49 P2 118.3(14) . . ?
 C54 C49 C50 124(2) . . ?
 C51 C52 C53 114.3(19) . . ?
 O3 C30 C29 121.0(14) . . ?
 O3 C30 C24 122.1(17) . . ?
 C24 C30 C29 116.9(15) . . ?
 C15 C14 C13 124.4(17) . . ?
 C11 C10 C9 118.6(15) . . ?
 C48 C43 P2 124.4(18) . . ?
 C48 C43 C44 119(2) . . ?
 C44 C43 P2 116.6(14) . . ?
 C50 C51 C52 122.1(19) . . ?
 C11 C12 C7 121.2(16) . . ?
 C8 C9 C10 119.4(17) . . ?
 C7 C8 C9 120.7(15) . . ?
 C26 C25 C24 122.0(17) . . ?
 C51 C50 C49 118.1(19) . . ?
 C43 C48 C47 117(2) . . ?
 C37 C42 P2 119.8(13) . . ?
 C41 C42 P2 120.8(13) . . ?
 C41 C42 C37 119.4(16) . . ?
 C49 C54 C53 115.2(18) . . ?
 C42 C37 C36 131.1(15) . . ?
 C42 C37 C38 114.4(17) . . ?
 C36 C37 C38 114.4(16) . . ?
 C54 C53 C52 125.3(19) . . ?
 C29 C34 C33 115.4(16) . . ?
 N4 C36 C37 125.6(16) . . ?
 C42 C41 C40 125.7(18) . . ?
 C38 C39 C40 118.4(18) . . ?
 C12 C11 C10 122.1(16) . . ?
 C39 C38 C37 125(2) . . ?
 C39 C40 C41 116.8(19) . . ?
 C43 C44 C45 121(2) . . ?
 C46 C45 C44 117(2) . . ?
 C47 C46 C45 120(2) . . ?
 C46 C47 C48 125(2) . . ?

_olex2_submission_special_instructions  'No special instructions were received'

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
  _platon_squeeze_void_nr
  _platon_squeeze_void_average_x
  _platon_squeeze_void_average_y
  _platon_squeeze_void_average_z
  _platon_squeeze_void_volume
  _platon_squeeze_void_count_electrons
  _platon_squeeze_void_content
   1  0.500  1.000  0.500       259        51 ' '
_platon_squeeze_details
;
;

