# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_mo_230326a_wzg_ptn2o4_0ma
_database_code_depnum_ccdc_archive 'CCDC 2279307'
loop_
_audit_author_name
_audit_author_address
'Zhigang Wang' 'Shenzhen University'
_audit_update_record             
;
2023-08-27 deposited with the CCDC.	2023-09-04 downloaded from the CCDC.
;
_audit_creation_date             2023-08-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.02.24 svn.rf166f9f3 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H30 N2 O6 Pt'
_chemical_formula_sum            'C14 H30 N2 O6 Pt'
_chemical_formula_weight         517.49
_chemical_absolute_configuration ad
_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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.4937(10)
_cell_length_b                   17.3352(15)
_cell_length_c                   10.2613(8)
_cell_angle_alpha                90
_cell_angle_beta                 92.384(4)
_cell_angle_gamma                90
_cell_volume                     1865.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      27.354
_cell_measurement_theta_min      2.270
_shelx_estimated_absorpt_T_max   0.864
_shelx_estimated_absorpt_T_min   0.152
_exptl_absorpt_coefficient_mu    7.552
_exptl_absorpt_correction_T_max  0.0040
_exptl_absorpt_correction_T_min  0.0001
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1089 before and 0.0875 after correction.
The Ratio of minimum to maximum transmission is 0.0250.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.843
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0492
_diffrn_reflns_Laue_measured_fraction_full 0.999
_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       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8632
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.626
_diffrn_reflns_theta_min         1.942
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.933
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.990
_reflns_number_gt                7242
_reflns_number_total             8632
_reflns_special_details          
;
 _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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         2.249
_refine_diff_density_min         -1.586
_refine_diff_density_rms         0.175
_refine_ls_abs_structure_details 
;
 Flack x determined using 3128 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.075(11)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         8632
_refine_ls_number_restraints     61
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0365
_refine_ls_restrained_S_all      1.038
_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)+(0.0484P)²+8.3677P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.1003
_refine_special_details          'Refined as a 2-component twin.,Twin'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.9627(12)
 0.0373(12)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(N3) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(O12) \\sim Ueq: with sigma of
0.003 and sigma for terminal atoms of 0.006
Uanis(C15) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(N4)
\\sim Ueq, Uanis(O6) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(O11) \\sim Ueq: with
sigma of 0.005 and sigma for terminal atoms of 0.02
4.a Ternary CH refined with riding coordinates:
 C1(H1), C6(H6), C15(H15), C16(H16)
4.b Secondary CH2 refined with riding coordinates:
 N1(H1A,H1B), N2(H2A,H2B), C2(H2C,H2D), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B),
 C10(H10A,H10B), C11(H11A,H11B), N3(H3C,H3D), N4(H4C,H4D), C17(H17A,H17B),
 C18(H18A,H18B), C19(H19A,H19B), C20(H20A,H20B), C21(H21A,H21B), C25(H25A,H25B)
4.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C),
 C22(H22A,H22B,H22C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C28(H28A,H28B,
 H28C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.74263(6) 0.51111(2) 0.27005(7) 0.0146(2) Uani 1 1 d . . . . .
O1 O 0.9075(11) 0.5121(12) 0.1746(12) 0.021(3) Uani 1 1 d . . . . .
O2 O 1.0305(13) 0.4397(10) 0.3100(15) 0.029(3) Uani 1 1 d . . . . .
O3 O 0.4467(15) 0.4531(13) 0.2379(16) 0.036(4) Uani 1 1 d . . . . .
O4 O 0.5794(12) 0.5237(12) 0.3651(14) 0.025(4) Uani 1 1 d . . . . .
O5 O 0.6915(13) 0.5926(9) 0.1371(14) 0.016(3) Uani 1 1 d . U . . .
O6 O 0.8015(15) 0.5890(10) 0.4003(16) 0.022(3) Uani 1 1 d . U . . .
N1 N 0.6892(19) 0.4262(12) 0.147(2) 0.026(5) Uani 1 1 d . . . . .
H1A H 0.602523 0.423763 0.140152 0.032 Uiso 1 1 calc R U . . .
H1B H 0.717782 0.436738 0.066020 0.032 Uiso 1 1 calc R U . . .
N2 N 0.7876(17) 0.4222(11) 0.3963(19) 0.022(4) Uani 1 1 d . . . . .
H2A H 0.873773 0.416657 0.405357 0.026 Uiso 1 1 calc R U . . .
H2B H 0.756808 0.432127 0.476158 0.026 Uiso 1 1 calc R U . . .
C1 C 0.7291(14) 0.3506(8) 0.3412(12) 0.020(3) Uani 1 1 d . . . . .
H1 H 0.636578 0.350327 0.361007 0.023 Uiso 1 1 calc R U . . .
C2 C 0.7897(18) 0.2771(13) 0.3963(18) 0.026(4) Uani 1 1 d . . . . .
H2C H 0.780105 0.275698 0.491846 0.031 Uiso 1 1 calc R U . . .
H2D H 0.882021 0.277341 0.379992 0.031 Uiso 1 1 calc R U . . .
C3 C 0.7288(18) 0.2051(9) 0.3351(15) 0.034(4) Uani 1 1 d . . . . .
H3A H 0.638320 0.201978 0.358170 0.041 Uiso 1 1 calc R U . . .
H3B H 0.773270 0.158594 0.369602 0.041 Uiso 1 1 calc R U . . .
C4 C 0.737(2) 0.2080(13) 0.184(2) 0.036(5) Uani 1 1 d . . . . .
H4A H 0.828133 0.205882 0.161363 0.043 Uiso 1 1 calc R U . . .
H4B H 0.693786 0.162356 0.145298 0.043 Uiso 1 1 calc R U . . .
C5 C 0.678(2) 0.2796(15) 0.128(2) 0.029(5) Uani 1 1 d . . . . .
H5A H 0.585441 0.279560 0.143820 0.034 Uiso 1 1 calc R U . . .
H5B H 0.688603 0.280866 0.032965 0.034 Uiso 1 1 calc R U . . .
C6 C 0.7400(14) 0.3519(9) 0.1914(14) 0.017(3) Uani 1 1 d . . . . .
H6 H 0.832801 0.350748 0.172767 0.021 Uiso 1 1 calc R U . . .
C7 C 1.0133(17) 0.4836(14) 0.2142(19) 0.024(5) Uani 1 1 d . . . . .
C8 C 1.1220(16) 0.5088(14) 0.1330(18) 0.027(5) Uani 1 1 d . . . . .
H8A H 1.141081 0.563264 0.150345 0.041 Uiso 1 1 calc R U . A 1
H8B H 1.098205 0.502012 0.040372 0.041 Uiso 1 1 calc R U . A 1
H8C H 1.197558 0.477515 0.155525 0.041 Uiso 1 1 calc R U . A 1
C9 C 1.0104(16) 0.6435(12) 0.4284(17) 0.047(5) Uani 1 1 d . U . . .
H9A H 1.063926 0.687261 0.405129 0.071 Uiso 1 1 calc R U . . .
H9B H 1.053319 0.595176 0.406901 0.071 Uiso 1 1 calc R U . . .
H9C H 0.996006 0.644862 0.522141 0.071 Uiso 1 1 calc R U . . .
C10 C 0.8842(17) 0.6482(11) 0.3532(17) 0.027(4) Uani 1 1 d . U . . .
H10A H 0.845413 0.699588 0.365427 0.032 Uiso 1 1 calc R U . . .
H10B H 0.896978 0.640678 0.259002 0.032 Uiso 1 1 calc R U . . .
C11 C 0.6242(18) 0.6558(14) 0.183(2) 0.026(5) Uani 1 1 d . . . . .
H11A H 0.673712 0.703660 0.170737 0.032 Uiso 1 1 calc R U . . .
H11B H 0.610913 0.649533 0.277458 0.032 Uiso 1 1 calc R U . . .
C12 C 0.496(2) 0.6616(15) 0.109(2) 0.045(6) Uani 1 1 d . . . . .
H12A H 0.508199 0.656651 0.015033 0.067 Uiso 1 1 calc R U . . .
H12B H 0.456661 0.711654 0.126487 0.067 Uiso 1 1 calc R U . . .
H12C H 0.439596 0.620160 0.137051 0.067 Uiso 1 1 calc R U . . .
C13 C 0.4699(16) 0.4971(13) 0.3259(16) 0.018(4) Uani 1 1 d . . . . .
C14 C 0.3629(18) 0.5306(16) 0.406(2) 0.030(5) Uani 1 1 d . U . . .
H14A H 0.393611 0.536953 0.496732 0.045 Uiso 1 1 calc R U . . .
H14B H 0.289782 0.495413 0.402075 0.045 Uiso 1 1 calc R U . . .
H14C H 0.337009 0.580836 0.369896 0.045 Uiso 1 1 calc R U . . .
Pt2 Pt 0.74506(6) 0.48507(2) 0.77002(7) 0.0149(3) Uani 1 1 d . . . . .
O7 O 0.9046(12) 0.4740(11) 0.6678(13) 0.022(3) Uani 1 1 d . . . . .
O8 O 1.0466(13) 0.5318(10) 0.8060(14) 0.035(4) Uani 1 1 d . . . . .
O9 O 0.4502(13) 0.5432(11) 0.7256(13) 0.024(4) Uani 1 1 d . . . . .
O10 O 0.5857(11) 0.4832(12) 0.8720(12) 0.020(3) Uani 1 1 d . . . . .
O11 O 0.6727(15) 0.4107(10) 0.6375(17) 0.027(4) Uani 1 1 d . U . . .
O12 O 0.7958(15) 0.4029(10) 0.9004(17) 0.023(4) Uani 1 1 d . U . . .
N3 N 0.6892(18) 0.5769(11) 0.6496(19) 0.018(4) Uani 1 1 d . U . . .
H3C H 0.739454 0.579509 0.579551 0.021 Uiso 1 1 calc R U . . .
H3D H 0.606765 0.570904 0.620325 0.021 Uiso 1 1 calc R U . . .
N4 N 0.8120(17) 0.5709(11) 0.8918(19) 0.018(4) Uani 1 1 d . U . . .
H4C H 0.758858 0.577036 0.958881 0.022 Uiso 1 1 calc R U . . .
H4D H 0.890752 0.558216 0.925725 0.022 Uiso 1 1 calc R U . . .
C15 C 0.7031(15) 0.6472(9) 0.7287(15) 0.020(3) Uani 1 1 d . U . . .
H15 H 0.627113 0.650868 0.784089 0.024 Uiso 1 1 calc R U . . .
C16 C 0.8189(14) 0.6423(8) 0.8177(14) 0.024(3) Uani 1 1 d . . . . .
H16 H 0.895477 0.639628 0.762993 0.029 Uiso 1 1 calc R U . . .
C17 C 0.833(2) 0.7142(13) 0.908(2) 0.042(6) Uani 1 1 d . . . . .
H17A H 0.761096 0.716314 0.967294 0.050 Uiso 1 1 calc R U . . .
H17B H 0.913411 0.710607 0.961747 0.050 Uiso 1 1 calc R U . . .
C18 C 0.834(2) 0.7872(10) 0.8235(18) 0.047(5) Uani 1 1 d . . . . .
H18A H 0.835262 0.833040 0.881063 0.056 Uiso 1 1 calc R U . . .
H18B H 0.913188 0.787907 0.774135 0.056 Uiso 1 1 calc R U . . .
C19 C 0.723(2) 0.7922(13) 0.731(2) 0.046(6) Uani 1 1 d . . . . .
H19A H 0.733056 0.837844 0.674333 0.055 Uiso 1 1 calc R U . . .
H19B H 0.645093 0.799879 0.780569 0.055 Uiso 1 1 calc R U . . .
C20 C 0.705(2) 0.7194(15) 0.644(2) 0.036(6) Uani 1 1 d . . . . .
H20A H 0.624237 0.723428 0.591009 0.043 Uiso 1 1 calc R U . . .
H20B H 0.776029 0.715842 0.583105 0.043 Uiso 1 1 calc R U . . .
C21 C 0.5943(18) 0.3477(13) 0.679(2) 0.029(5) Uani 1 1 d . . . . .
H21A H 0.583839 0.351162 0.774422 0.034 Uiso 1 1 calc R U . . .
H21B H 0.636827 0.298089 0.660831 0.034 Uiso 1 1 calc R U . . .
C22 C 0.467(2) 0.3496(17) 0.610(2) 0.045(6) Uani 1 1 d . . . . .
H22A H 0.476929 0.344092 0.516217 0.068 Uiso 1 1 calc R U . . .
H22B H 0.425031 0.398921 0.627725 0.068 Uiso 1 1 calc R U . . .
H22C H 0.414370 0.307212 0.641445 0.068 Uiso 1 1 calc R U . . .
C23 C 0.4734(17) 0.5058(17) 0.827(2) 0.032(6) Uani 1 1 d . . . . .
C24 C 0.3681(19) 0.4801(19) 0.912(2) 0.035(5) Uani 1 1 d . . . . .
H24A H 0.289466 0.507913 0.887127 0.053 Uiso 1 1 calc R U . . .
H24B H 0.392096 0.491075 1.003373 0.053 Uiso 1 1 calc R U . . .
H24C H 0.354110 0.424537 0.900857 0.053 Uiso 1 1 calc R U . . .
C25 C 0.9106(17) 0.3620(11) 0.8996(16) 0.034(4) Uani 1 1 d . . . B 1
H25A H 0.926743 0.338107 0.986339 0.041 Uiso 1 1 calc R U . B 1
H25B H 0.980868 0.398763 0.885181 0.041 Uiso 1 1 calc R U . B 1
C26 C 0.913(2) 0.3027(13) 0.802(2) 0.065(6) Uani 1 1 d . . . B 1
H26A H 0.902184 0.326068 0.714966 0.097 Uiso 1 1 calc R U . B 1
H26B H 0.843441 0.266071 0.814677 0.097 Uiso 1 1 calc R U . B 1
H26C H 0.994797 0.275442 0.808646 0.097 Uiso 1 1 calc R U . B 1
C27 C 1.0213(18) 0.4947(15) 0.712(2) 0.028(5) Uani 1 1 d . . . . .
C28 C 1.1216(19) 0.4604(16) 0.624(2) 0.038(6) Uani 1 1 d . . . . .
H28A H 1.132166 0.405347 0.643349 0.058 Uiso 1 1 calc R U . . .
H28B H 1.203107 0.487007 0.640252 0.058 Uiso 1 1 calc R U . . .
H28C H 1.093587 0.466921 0.532398 0.058 Uiso 1 1 calc R U . . .


_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 O1 2.023(11) . ?
Pt1 O4 2.018(12) . ?
Pt1 O5 2.021(14) . ?
Pt1 O6 1.981(17) . ?
Pt1 N1 2.01(2) . ?
Pt1 N2 2.056(19) . ?
O1 C7 1.27(2) . ?
O2 C7 1.25(3) . ?
O3 C13 1.20(2) . ?
O4 C13 1.29(2) . ?
O5 C11 1.40(3) . ?
O6 C10 1.44(2) . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N1 C6 1.46(2) . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
N2 C1 1.49(2) . ?
C1 H1 1.0000 . ?
C1 C2 1.52(2) . ?
C1 C6 1.547(18) . ?
C2 H2C 0.9900 . ?
C2 H2D 0.9900 . ?
C2 C3 1.52(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.56(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.49(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.54(3) . ?
C6 H6 1.0000 . ?
C7 C8 1.51(2) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 C10 1.51(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.52(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.53(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
Pt2 O7 2.021(13) . ?
Pt2 O10 2.010(12) . ?
Pt2 O11 2.000(17) . ?
Pt2 O12 2.011(17) . ?
Pt2 N3 2.084(18) . ?
Pt2 N4 2.048(18) . ?
O7 C27 1.34(2) . ?
O8 C27 1.18(3) . ?
O9 C23 1.24(3) . ?
O10 C23 1.31(2) . ?
O11 C21 1.44(3) . ?
O12 C25 1.40(2) . ?
N3 H3C 0.9100 . ?
N3 H3D 0.9100 . ?
N3 C15 1.47(3) . ?
N4 H4C 0.9100 . ?
N4 H4D 0.9100 . ?
N4 C16 1.46(2) . ?
C15 H15 1.0000 . ?
C15 C16 1.49(2) . ?
C15 C20 1.53(3) . ?
C16 H16 1.0000 . ?
C16 C17 1.56(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.53(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.48(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.55(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.49(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.51(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.44(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.53(3) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?

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
O1 Pt1 N2 97.6(7) . . ?
O4 Pt1 O1 173.3(10) . . ?
O4 Pt1 O5 92.5(6) . . ?
O4 Pt1 N2 87.4(7) . . ?
O5 Pt1 O1 82.8(6) . . ?
O5 Pt1 N2 175.6(7) . . ?
O6 Pt1 O1 94.1(7) . . ?
O6 Pt1 O4 81.2(7) . . ?
O6 Pt1 O5 92.6(8) . . ?
O6 Pt1 N1 175.8(8) . . ?
O6 Pt1 N2 91.7(6) . . ?
N1 Pt1 O1 85.6(8) . . ?
N1 Pt1 O4 99.4(8) . . ?
N1 Pt1 O5 91.6(6) . . ?
N1 Pt1 N2 84.2(9) . . ?
C7 O1 Pt1 126.7(13) . . ?
C13 O4 Pt1 125.1(13) . . ?
C11 O5 Pt1 116.3(13) . . ?
C10 O6 Pt1 115.8(12) . . ?
Pt1 N1 H1A 109.4 . . ?
Pt1 N1 H1B 109.4 . . ?
H1A N1 H1B 108.0 . . ?
C6 N1 Pt1 111.1(13) . . ?
C6 N1 H1A 109.4 . . ?
C6 N1 H1B 109.4 . . ?
Pt1 N2 H2A 110.1 . . ?
Pt1 N2 H2B 110.1 . . ?
H2A N2 H2B 108.5 . . ?
C1 N2 Pt1 107.8(11) . . ?
C1 N2 H2A 110.1 . . ?
C1 N2 H2B 110.1 . . ?
N2 C1 H1 108.4 . . ?
N2 C1 C2 113.4(13) . . ?
N2 C1 C6 108.6(12) . . ?
C2 C1 H1 108.4 . . ?
C2 C1 C6 109.5(12) . . ?
C6 C1 H1 108.4 . . ?
C1 C2 H2C 109.3 . . ?
C1 C2 H2D 109.3 . . ?
C1 C2 C3 111.7(14) . . ?
H2C C2 H2D 107.9 . . ?
C3 C2 H2C 109.3 . . ?
C3 C2 H2D 109.3 . . ?
C2 C3 H3A 109.6 . . ?
C2 C3 H3B 109.6 . . ?
C2 C3 C4 110.1(15) . . ?
H3A C3 H3B 108.2 . . ?
C4 C3 H3A 109.6 . . ?
C4 C3 H3B 109.6 . . ?
C3 C4 H4A 109.3 . . ?
C3 C4 H4B 109.3 . . ?
H4A C4 H4B 108.0 . . ?
C5 C4 C3 111.6(18) . . ?
C5 C4 H4A 109.3 . . ?
C5 C4 H4B 109.3 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 C6 110.6(17) . . ?
H5A C5 H5B 108.1 . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
N1 C6 C1 106.5(13) . . ?
N1 C6 C5 116.2(15) . . ?
N1 C6 H6 107.6 . . ?
C1 C6 H6 107.6 . . ?
C5 C6 C1 111.0(14) . . ?
C5 C6 H6 107.6 . . ?
O1 C7 C8 112.6(19) . . ?
O2 C7 O1 125.8(18) . . ?
O2 C7 C8 121.6(18) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
C10 C9 H9C 109.5 . . ?
O6 C10 C9 108.6(15) . . ?
O6 C10 H10A 110.0 . . ?
O6 C10 H10B 110.0 . . ?
C9 C10 H10A 110.0 . . ?
C9 C10 H10B 110.0 . . ?
H10A C10 H10B 108.4 . . ?
O5 C11 H11A 109.8 . . ?
O5 C11 H11B 109.8 . . ?
O5 C11 C12 109.4(18) . . ?
H11A C11 H11B 108.2 . . ?
C12 C11 H11A 109.8 . . ?
C12 C11 H11B 109.8 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O3 C13 O4 127.9(17) . . ?
O3 C13 C14 120.9(18) . . ?
O4 C13 C14 111.2(16) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O7 Pt2 N3 89.0(7) . . ?
O7 Pt2 N4 96.6(7) . . ?
O10 Pt2 O7 173.6(10) . . ?
O10 Pt2 O12 81.1(7) . . ?
O10 Pt2 N3 95.8(7) . . ?
O10 Pt2 N4 88.0(7) . . ?
O11 Pt2 O7 83.4(6) . . ?
O11 Pt2 O10 92.5(7) . . ?
O11 Pt2 O12 94.5(8) . . ?
O11 Pt2 N3 90.0(7) . . ?
O11 Pt2 N4 173.5(8) . . ?
O12 Pt2 O7 94.4(7) . . ?
O12 Pt2 N3 174.7(8) . . ?
O12 Pt2 N4 92.0(6) . . ?
N4 Pt2 N3 83.6(9) . . ?
C27 O7 Pt2 124.5(13) . . ?
C23 O10 Pt2 124.5(14) . . ?
C21 O11 Pt2 119.4(14) . . ?
C25 O12 Pt2 124.0(12) . . ?
Pt2 N3 H3C 110.4 . . ?
Pt2 N3 H3D 110.4 . . ?
H3C N3 H3D 108.6 . . ?
C15 N3 Pt2 106.7(12) . . ?
C15 N3 H3C 110.4 . . ?
C15 N3 H3D 110.4 . . ?
Pt2 N4 H4C 109.9 . . ?
Pt2 N4 H4D 109.9 . . ?
H4C N4 H4D 108.3 . . ?
C16 N4 Pt2 108.8(12) . . ?
C16 N4 H4C 109.9 . . ?
C16 N4 H4D 109.9 . . ?
N3 C15 H15 107.7 . . ?
N3 C15 C16 110.5(13) . . ?
N3 C15 C20 111.6(15) . . ?
C16 C15 H15 107.7 . . ?
C16 C15 C20 111.4(15) . . ?
C20 C15 H15 107.7 . . ?
N4 C16 C15 108.1(12) . . ?
N4 C16 H16 108.2 . . ?
N4 C16 C17 112.0(14) . . ?
C15 C16 H16 108.2 . . ?
C15 C16 C17 112.0(14) . . ?
C17 C16 H16 108.2 . . ?
C16 C17 H17A 109.9 . . ?
C16 C17 H17B 109.9 . . ?
H17A C17 H17B 108.3 . . ?
C18 C17 C16 109.1(16) . . ?
C18 C17 H17A 109.9 . . ?
C18 C17 H17B 109.9 . . ?
C17 C18 H18A 109.0 . . ?
C17 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C19 C18 C17 112.8(18) . . ?
C19 C18 H18A 109.0 . . ?
C19 C18 H18B 109.0 . . ?
C18 C19 H19A 108.9 . . ?
C18 C19 H19B 108.9 . . ?
C18 C19 C20 113.3(18) . . ?
H19A C19 H19B 107.7 . . ?
C20 C19 H19A 108.9 . . ?
C20 C19 H19B 108.9 . . ?
C15 C20 C19 109.9(18) . . ?
C15 C20 H20A 109.7 . . ?
C15 C20 H20B 109.7 . . ?
C19 C20 H20A 109.7 . . ?
C19 C20 H20B 109.7 . . ?
H20A C20 H20B 108.2 . . ?
O11 C21 H21A 109.5 . . ?
O11 C21 H21B 109.5 . . ?
O11 C21 C22 111(2) . . ?
H21A C21 H21B 108.1 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O9 C23 O10 126.7(19) . . ?
O9 C23 C24 121.2(19) . . ?
O10 C23 C24 112(2) . . ?
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 . . ?
O12 C25 H25A 108.8 . . ?
O12 C25 H25B 108.8 . . ?
O12 C25 C26 113.9(18) . . ?
H25A C25 H25B 107.7 . . ?
C26 C25 H25A 108.8 . . ?
C26 C25 H25B 108.8 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O7 C27 C28 109.8(19) . . ?
O8 C27 O7 126.4(19) . . ?
O8 C27 C28 123.7(18) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

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
Pt1 O1 C7 O2 12(3) . . . . ?
Pt1 O1 C7 C8 -167.9(15) . . . . ?
Pt1 O4 C13 O3 10(4) . . . . ?
Pt1 O4 C13 C14 -168.5(15) . . . . ?
Pt1 O5 C11 C12 -121.4(17) . . . . ?
Pt1 O6 C10 C9 -118.9(14) . . . . ?
Pt1 N1 C6 C1 39.7(16) . . . . ?
Pt1 N1 C6 C5 163.9(13) . . . . ?
Pt1 N2 C1 C2 160.1(12) . . . . ?
Pt1 N2 C1 C6 38.1(15) . . . . ?
N2 C1 C2 C3 -178.8(14) . . . . ?
N2 C1 C6 N1 -51.3(18) . . . . ?
N2 C1 C6 C5 -178.7(15) . . . . ?
C1 C2 C3 C4 56(2) . . . . ?
C2 C1 C6 N1 -175.7(14) . . . . ?
C2 C1 C6 C5 56.9(19) . . . . ?
C2 C3 C4 C5 -56(2) . . . . ?
C3 C4 C5 C6 57(2) . . . . ?
C4 C5 C6 N1 -179.2(17) . . . . ?
C4 C5 C6 C1 -57(2) . . . . ?
C6 C1 C2 C3 -57.2(18) . . . . ?
Pt2 O7 C27 O8 -12(4) . . . . ?
Pt2 O7 C27 C28 166.2(16) . . . . ?
Pt2 O10 C23 O9 -13(4) . . . . ?
Pt2 O10 C23 C24 166.1(17) . . . . ?
Pt2 O11 C21 C22 122.9(17) . . . . ?
Pt2 O12 C25 C26 -77(2) . . . . ?
Pt2 N3 C15 C16 37.8(15) . . . . ?
Pt2 N3 C15 C20 162.4(13) . . . . ?
Pt2 N4 C16 C15 40.7(15) . . . . ?
Pt2 N4 C16 C17 164.5(13) . . . . ?
N3 C15 C16 N4 -53.3(18) . . . . ?
N3 C15 C16 C17 -177.2(15) . . . . ?
N3 C15 C20 C19 -178.7(17) . . . . ?
N4 C16 C17 C18 -177.7(16) . . . . ?
C15 C16 C17 C18 -56(2) . . . . ?
C16 C15 C20 C19 -55(2) . . . . ?
C16 C17 C18 C19 54(2) . . . . ?
C17 C18 C19 C20 -54(2) . . . . ?
C18 C19 C20 C15 53(2) . . . . ?
C20 C15 C16 N4 -178.0(15) . . . . ?
C20 C15 C16 C17 58(2) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.9627(12)
2 0.0373(12)

