# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mawa001_b
_database_code_depnum_ccdc_archive 'CCDC 2265460'
loop_
_audit_author_name
_audit_author_address
'Tim Gruene'
;Centre of Xray Structure Analysis, University of Vienna
Austria
;
_audit_update_record             
;
2023-09-26 deposited with the CCDC.	2023-10-02 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_mawa001_b           
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.949 Why?
RESPONSE: we had to compromise between data quality and resolution due to long
exposure time.
;
_vrf_PLAT915_mawa001_b           
;
PROBLEM: No Flack x Check Done: Low Friedel Pair Coverage         22 %
RESPONSE: In space group P1, it was not possible to cover more of
reciprocal space. Since cyclohexane-diamine was used with known chiralty, the
Flack parameter does not need to be determined experimentally.
;
_vrf_PLAT987_mawa001_b           
;
PROBLEM: The Flack x is >> 0 -  Do a BASF/TWIN Refinement     Please Check
RESPONSE: We believe that Flack x is large because of the low coverage of
Friedel mates, rather than a twinned crystals.
;
_audit_creation_method           'STOE LANA'
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C10 H24 N2 O8 Pt'
_chemical_formula_moiety         ?
_chemical_formula_weight         495.40
_chemical_melting_point          ?
_chemical_absolute_configuration rmad
_symmetry_cell_setting           triclinic
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
_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.
;
_audit_creation_date             2023-05-25
_audit_contact_author            'J. Richter'
_diffrn_source_power             0.050

loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   8.2831(17)
_cell_length_b                   9.6777(19)
_cell_length_c                   10.192(2)
_cell_angle_alpha                73.15(3)
_cell_angle_beta                 76.80(3)
_cell_angle_gamma                80.70(3)
_cell_volume                     757.23(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100
_cell_measurement_reflns_used    47101
_STOE_detector_size_x            '7.7 cm'
_STOE_detector_size_y            '3.8 cm'
_STOE_detector_pixelsize_x       '0.075 mm'
_STOE_detector_pixelsize_y       '0.075 mm'
_STOE_detector_distance          '40.0 mm'
_STOE_measurement_identifier     MAWA001
_STOE_measurement_tube_power     '50.0 W'
_STOE_measurement_total_run_number 92
_STOE_measurement_total_frame_number 15777
_STOE_measurement_min_exposure_per_frame '1.0 s'
_STOE_measurement_max_exposure_per_frame '1.0 s'
_STOE_measurement_mean_exposure_per_frame '1.0 s'
_STOE_measurement_total_exposure_time '4.4 h'
_STOE_evaluation_integration_A   15.7
_STOE_evaluation_integration_B   2.7
_STOE_evaluation_integration_EMS 0.038
_STOE_evaluation_LANA_point_group -1
_STOE_evaluation_LANA_FS_max_order -
_STOE_evaluation_LANA_DXS_max_order -
_STOE_evaluation_LANA_DYS_max_order -
_STOE_evaluation_LANA_BIS_l_even_max -
_STOE_evaluation_LANA_BIS_l_odd_max -
_STOE_evaluation_LANA_BOS_l_even_max -
_STOE_evaluation_LANA_BOS_l_odd_max -
_STOE_evaluation_LANA_OR_c1      0.050
_STOE_evaluation_LANA_OR_c2      0
_STOE_evaluation_LANA_OR_c3      0
_STOE_evaluation_LANA_OR_c4      1.0
_STOE_evaluation_LANA_max_2theta_available 141.8
_STOE_evaluation_LANA_max_2theta_desired 141.8
_STOE_evaluation_LANA_number_refls_total 18956
_STOE_evaluation_LANA_number_refls_outliers 3108
_STOE_evaluation_LANA_number_refls_after_OR 15848
_STOE_evaluation_LANA_number_refls_unique 2739
_STOE_evaluation_LANA_number_refls_written 15848
_STOE_evaluation_LANA_completeness 93.6
_STOE_evaluation_LANA_mean_redundancy 5.8
_STOE_evaluation_LANA_table      
;
#----------------------------------------------------------------------------
2Theta          16.3   31.1   45.9   60.7   75.5   90.3  105.1  119.9  134.7
#----------------------------------------------------------------------------
<Resolution>    4.81   2.83   1.97   1.49   1.26   1.09   0.98   0.89   0.84
N(total)         386    859   1354   2639   3799   3453   2847   2389   1230
<Redundancy>     9.6    7.7    5.7    7.4    8.6    6.2    5.0    4.3    3.0
Complet. [%%]   100.0  100.0  100.0   99.0   97.2   96.9   95.8   91.6   78.0
<I/sigma>      220.8  158.6  114.2   68.4   53.2   41.0   37.7   39.4   46.3
R(int)         0.122  0.108  0.088  0.113  0.121  0.090  0.082  0.072  0.080
#----------------------------------------------------------------------------
;
_cell_measurement_theta_min      4.62
_cell_measurement_theta_max      72.86
_exptl_crystal_description       'wedgy block'
_exptl_crystal_colour            white
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.173
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.050
_exptl_crystal_size_rad          0.050
_exptl_absorpt_coefficient_mu    17.721
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_correction_T_min  0.1088
_exptl_absorpt_correction_T_max  0.4261
_exptl_absorpt_process_details   
;
STOE LANA, spherical absorption correction
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100
_diffrn_ambient_environment      ?
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_collimation    '1.2 mm, 0.6 diameter'
_diffrn_measurement_ambient_temperature_device_make 'Oxford Cryostream 800'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'Primux 100 micro'
_diffrn_source_type              ?
_diffrn_source_voltage           50
_diffrn_source_current           1.00
_diffrn_detector                 'EIGER2 500K'
_diffrn_detector_type            ?
_diffrn_detector_area_resol_mean 13.33
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_measurement_details      ' 15777 frames, detector distance = 40 mm'
_diffrn_reflns_number            15268
_diffrn_reflns_av_unetI/netI     0.0122
_diffrn_reflns_av_R_equivalents  0.0164
_diffrn_reflns_theta_min         5.515
_diffrn_reflns_theta_max         70.870
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measured_fraction_theta_full 0.949
_diffrn_reflns_Laue_measured_fraction_max 0.934
_diffrn_reflns_Laue_measured_fraction_full 0.949
_diffrn_reflns_point_group_measured_fraction_max 0.578
_diffrn_reflns_point_group_measured_fraction_full 0.592
_reflns_number_total             3380
_reflns_number_gt                3300
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.236
_reflns_Friedel_fraction_max     0.221
_reflns_Friedel_fraction_full    0.236
_reflns_d_resolution_high        0.816
_reflns_d_resolution_low         9.572
_reflns_limit_h_min              -6
_reflns_limit_h_max              10
_reflns_limit_k_min              -11
_reflns_limit_k_max              10
_reflns_limit_l_min              -10
_reflns_limit_l_max              12
_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.
;
_computing_data_collection       
;
X-Area Pilatus3_SV 1.31.186.0 (STOE, 2022)
;
_computing_cell_refinement       
;
X-Area Recipe 1.37.0.0 (STOE, 2021)
;
_computing_data_reduction        
'  X-Area Integrate 2.5.3.0 (STOE, 2021)  X-Area LANA 2.7.5.0 (STOE, 2022)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXle (Hübschle 2011)'
_computing_publication_material  
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 2.1, Darmstadt 2022
;
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0381P)²+0.5347P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_reflns         3380
_refine_ls_number_parameters     420
_refine_ls_number_restraints     501
_refine_ls_R_factor_all          0.0185
_refine_ls_R_factor_gt           0.0178
_refine_ls_wR_factor_ref         0.0462
_refine_ls_wR_factor_gt          0.0459
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      0.983
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.960
_refine_diff_density_min         -1.462
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.00154(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_Flack   0.087(15)
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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 0.21226(2) 0.43108(2) 0.77102(2) 0.01016(14) Uani 1 1 d . . . . .
Pt2 Pt 0.72105(2) 0.37641(2) 0.51797(2) 0.01005(14) Uani 1 1 d . . . . .
O2 O 0.2199(11) 0.2737(11) 1.1968(10) 0.0145(14) Uani 1 1 d . U . . .
H2C H 0.317439 0.294024 1.187471 0.022 Uiso 1 1 calc R U . . .
O3 O 0.3661(11) 0.0746(11) 1.0465(11) 0.0172(15) Uani 1 1 d . U . . .
O4 O 0.6094(9) 0.5790(11) 0.4402(9) 0.0124(12) Uani 1 1 d . U . . .
O5 O 0.7011(12) 0.5427(11) 0.0918(10) 0.0145(14) Uani 1 1 d . U . . .
H5C H 0.642112 0.477248 0.098209 0.022 Uiso 1 1 calc R U . . .
O6 O 0.5516(11) 0.7372(11) 0.2443(10) 0.0165(14) Uani 1 1 d . U . . .
O8 O 0.6782(12) 0.1378(10) 0.3466(11) 0.0163(15) Uani 1 1 d . U . . .
H8A H 0.614897 0.096896 0.319359 0.024 Uiso 1 1 calc R U . . .
O9 O 0.4944(11) 0.3349(10) 0.2875(10) 0.0146(14) Uani 1 1 d . U . . .
O11 O 0.2559(11) 0.6736(10) 0.9445(12) 0.0169(15) Uani 1 1 d . U . . .
H11A H 0.339718 0.718359 0.930270 0.025 Uiso 1 1 calc R U . . .
O16 O 0.4365(11) 0.4780(10) 1.0033(11) 0.0171(15) Uani 1 1 d . U . . .
O17 O 0.2992(9) 0.2191(10) 0.8515(10) 0.0115(11) Uani 1 1 d . U . . .
N1 N 0.2441(15) 0.4277(13) 0.5597(13) 0.0139(11) Uani 1 1 d . U . . .
H1A H 0.351963 0.437937 0.515791 0.017 Uiso 1 1 calc R U . . .
H1B H 0.216771 0.342417 0.554452 0.017 Uiso 1 1 calc R U . . .
N2 N 0.1317(15) 0.6424(12) 0.6919(12) 0.0147(11) Uani 1 1 d . U . . .
H2A H 0.020696 0.657940 0.725865 0.018 Uiso 1 1 calc R U . . .
H2B H 0.185512 0.699892 0.720717 0.018 Uiso 1 1 calc R U . . .
N3 N 0.8205(15) 0.1727(13) 0.5901(11) 0.0146(11) Uani 1 1 d . U . . .
H3C H 0.745584 0.109259 0.600476 0.017 Uiso 1 1 calc R U . . .
H3D H 0.912702 0.151968 0.527854 0.017 Uiso 1 1 calc R U . . .
N4 N 0.6774(15) 0.3775(13) 0.7335(13) 0.0143(12) Uani 1 1 d . U . . .
H4C H 0.741905 0.439217 0.744846 0.017 Uiso 1 1 calc R U . . .
H4D H 0.568547 0.407425 0.762657 0.017 Uiso 1 1 calc R U . . .
C1 C 0.1299(10) 0.5533(8) 0.4929(8) 0.0154(9) Uani 1 1 d . U . . .
H1 H 0.012129 0.531847 0.534683 0.019 Uiso 1 1 calc R U . . .
C2 C 0.1615(10) 0.6837(8) 0.5373(7) 0.0151(9) Uani 1 1 d . U . . .
H2 H 0.281073 0.701828 0.500773 0.018 Uiso 1 1 calc R U . . .
C3 C 0.0531(13) 0.8198(11) 0.4791(12) 0.0165(10) Uani 1 1 d . U . . .
H3A H 0.082718 0.903034 0.503750 0.020 Uiso 1 1 calc R U . . .
H3B H -0.065339 0.807019 0.521802 0.020 Uiso 1 1 calc R U . . .
C4 C 0.0762(10) 0.8524(8) 0.3198(7) 0.0173(10) Uani 1 1 d . U . . .
H4A H -0.001257 0.937303 0.284622 0.021 Uiso 1 1 calc R U . . .
H4B H 0.191598 0.875728 0.276009 0.021 Uiso 1 1 calc R U . . .
C5 C 0.0419(10) 0.7210(8) 0.2814(8) 0.0174(10) Uani 1 1 d . U . . .
H5A H -0.075948 0.702790 0.320432 0.021 Uiso 1 1 calc R U . . .
H5B H 0.058339 0.742499 0.178455 0.021 Uiso 1 1 calc R U . . .
C6 C 0.1522(13) 0.5867(14) 0.3343(13) 0.0160(10) Uani 1 1 d . U . . .
H6A H 0.270091 0.601284 0.290843 0.019 Uiso 1 1 calc R U . . .
H6B H 0.123121 0.503904 0.308724 0.019 Uiso 1 1 calc R U . . .
C7 C 0.1825(14) 0.2926(12) 1.0623(13) 0.0130(11) Uani 1 1 d . U . . .
H7 H 0.067921 0.261720 1.081717 0.016 Uiso 1 1 calc R U . . .
C8 C 0.2930(12) 0.1885(12) 0.9851(13) 0.0122(11) Uani 1 1 d . U . . .
C9 C 0.1692(19) 0.4473(13) 0.9729(14) 0.0129(11) Uani 1 1 d . U . . .
H9 H 0.055899 0.497878 0.998061 0.015 Uiso 1 1 calc R U . . .
C10 C 0.8672(10) 0.1565(8) 0.7286(7) 0.0150(9) Uani 1 1 d . U . . .
H10 H 0.965170 0.212043 0.711546 0.018 Uiso 1 1 calc R U . . .
C11 C 0.7202(10) 0.2266(8) 0.8161(7) 0.0149(9) Uani 1 1 d . U . . .
H11 H 0.622475 0.170421 0.834392 0.018 Uiso 1 1 calc R U . . .
C12 C 0.7613(13) 0.2205(15) 0.9542(13) 0.0166(11) Uani 1 1 d . U . . .
H12A H 0.663338 0.261697 1.012186 0.020 Uiso 1 1 calc R U . . .
H12B H 0.854452 0.279496 0.938510 0.020 Uiso 1 1 calc R U . . .
C13 C 0.8114(10) 0.0606(8) 1.0326(8) 0.0183(10) Uani 1 1 d . U . . .
H13A H 0.844048 0.059137 1.120636 0.022 Uiso 1 1 calc R U . . .
H13B H 0.714021 0.004312 1.057034 0.022 Uiso 1 1 calc R U . . .
C14 C 0.9554(10) -0.0108(8) 0.9439(7) 0.0191(10) Uani 1 1 d . U . . .
H14A H 0.978422 -0.113904 0.993966 0.023 Uiso 1 1 calc R U . . .
H14B H 1.056820 0.037927 0.929285 0.023 Uiso 1 1 calc R U . . .
C15 C 0.9151(13) -0.0016(11) 0.8023(12) 0.0174(11) Uani 1 1 d . U . . .
H15A H 1.013446 -0.041777 0.743863 0.021 Uiso 1 1 calc R U . . .
H15B H 0.821814 -0.059800 0.815929 0.021 Uiso 1 1 calc R U . . .
C16 C 0.6228(12) 0.6246(13) 0.3051(13) 0.0122(11) Uani 1 1 d . U . . .
C17 C 0.7439(15) 0.5257(12) 0.2231(12) 0.0133(11) Uani 1 1 d . U . . .
H17 H 0.855464 0.562686 0.201996 0.016 Uiso 1 1 calc R U . . .
C18 C 0.6342(17) 0.2816(14) 0.3146(14) 0.0127(12) Uani 1 1 d . U . . .
C19 C 0.7651(19) 0.3690(13) 0.3116(13) 0.0126(11) Uani 1 1 d . U . . .
H19 H 0.878763 0.320654 0.283515 0.015 Uiso 1 1 calc R U . . .
C20 C 0.3009(17) 0.5320(14) 0.9775(15) 0.0133(12) Uani 1 1 d . U . . .
O1_1 O 0.4885(13) 0.8240(11) -0.0314(10) 0.017(2) Uani 1 1 d D . . . .
H1_1 H 0.442(12) 0.909(5) -0.026(9) 0.025 Uiso 1 1 d D U . . .
H2_1 H 0.505(11) 0.775(8) 0.051(4) 0.025 Uiso 1 1 d D U . . .
O1_2 O 0.4483(13) -0.0089(13) 0.3263(12) 0.023(3) Uani 1 1 d D . . . .
H1_2 H 0.509(11) -0.081(8) 0.298(10) 0.034 Uiso 1 1 d D U . . .
H2_2 H 0.384(10) 0.027(10) 0.264(8) 0.034 Uiso 1 1 d D U . . .
O1_3 O 0.4852(12) 0.0258(9) 0.6914(8) 0.040(2) Uani 1 1 d D . . . .
H2_3 H 0.377(5) 0.056(13) 0.697(14) 0.060 Uiso 1 1 d D U . . .
H1_3 H 0.484(14) -0.059(6) 0.755(9) 0.060 Uiso 1 1 d D U . . .
O1_4 O 0.5214(11) 0.7462(9) 0.6401(8) 0.036(2) Uani 1 1 d D . . . .
H1_4 H 0.525(15) 0.695(9) 0.581(8) 0.054 Uiso 1 1 d D U . . .
H2_4 H 0.493(16) 0.836(4) 0.595(10) 0.054 Uiso 1 1 d D U . . .
O1_5 O 0.1806(14) 0.1578(12) 0.4891(13) 0.029(3) Uani 1 1 d D . . . .
H1_5 H 0.266(9) 0.093(9) 0.502(10) 0.044 Uiso 1 1 d D U . . .
H2_5 H 0.175(12) 0.177(11) 0.401(4) 0.044 Uiso 1 1 d D U . . .
O1_6 O 0.7801(12) 0.6327(11) -0.2059(10) 0.019(2) Uani 1 1 d D . . . .
H1_6 H 0.712(8) 0.676(10) -0.263(7) 0.029 Uiso 1 1 d D U . . .
H2_6 H 0.720(9) 0.616(11) -0.122(4) 0.029 Uiso 1 1 d D U . . .


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 N2 2.032(12) . ?
Pt1 O17 2.053(10) . ?
Pt1 C9 2.054(14) . ?
Pt1 N1 2.118(13) . ?
Pt2 N3 2.005(12) . ?
Pt2 O4 2.044(10) . ?
Pt2 C19 2.071(13) . ?
Pt2 N4 2.145(13) . ?
O2 C7 1.428(15) . ?
O3 C8 1.237(14) . ?
O4 C16 1.302(15) . ?
O5 C17 1.419(14) . ?
O6 C16 1.220(15) . ?
O8 C18 1.344(15) . ?
O9 C18 1.247(16) . ?
O11 C20 1.324(15) . ?
O16 C20 1.212(16) . ?
O17 C8 1.298(15) . ?
N1 C1 1.510(15) . ?
N2 C2 1.481(13) . ?
N3 C10 1.506(13) . ?
N4 C11 1.492(14) . ?
C1 C6 1.527(14) . ?
C1 C2 1.535(10) . ?
C2 C3 1.517(13) . ?
C3 C4 1.534(13) . ?
C4 C5 1.518(10) . ?
C5 C6 1.500(15) . ?
C7 C9 1.512(14) . ?
C7 C8 1.518(13) . ?
C9 C20 1.483(19) . ?
C10 C11 1.525(10) . ?
C10 C15 1.529(13) . ?
C11 C12 1.505(14) . ?
C12 C13 1.560(15) . ?
C13 C14 1.523(10) . ?
C14 C15 1.529(14) . ?
C16 C17 1.547(14) . ?
C17 C19 1.529(14) . ?
C18 C19 1.469(19) . ?

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
N2 Pt1 O17 178.5(5) . . ?
N2 Pt1 C9 94.1(5) . . ?
O17 Pt1 C9 85.5(4) . . ?
N2 Pt1 N1 82.1(5) . . ?
O17 Pt1 N1 98.4(4) . . ?
C9 Pt1 N1 175.9(6) . . ?
N3 Pt2 O4 176.5(5) . . ?
N3 Pt2 C19 95.2(5) . . ?
O4 Pt2 C19 83.0(5) . . ?
N3 Pt2 N4 83.2(5) . . ?
O4 Pt2 N4 98.6(4) . . ?
C19 Pt2 N4 178.4(6) . . ?
C16 O4 Pt2 117.1(8) . . ?
C8 O17 Pt1 112.1(7) . . ?
C1 N1 Pt1 106.5(7) . . ?
C2 N2 Pt1 112.0(7) . . ?
C10 N3 Pt2 109.5(7) . . ?
C11 N4 Pt2 107.7(7) . . ?
N1 C1 C6 115.5(8) . . ?
N1 C1 C2 105.2(7) . . ?
C6 C1 C2 111.3(7) . . ?
N2 C2 C3 112.3(8) . . ?
N2 C2 C1 107.1(7) . . ?
C3 C2 C1 111.7(7) . . ?
C2 C3 C4 111.0(8) . . ?
C5 C4 C3 109.5(7) . . ?
C6 C5 C4 112.9(7) . . ?
C5 C6 C1 109.6(8) . . ?
O2 C7 C9 115.6(10) . . ?
O2 C7 C8 112.1(9) . . ?
C9 C7 C8 113.0(10) . . ?
O3 C8 O17 120.7(10) . . ?
O3 C8 C7 122.2(11) . . ?
O17 C8 C7 116.9(10) . . ?
C20 C9 C7 113.4(13) . . ?
C20 C9 Pt1 105.5(9) . . ?
C7 C9 Pt1 105.2(8) . . ?
N3 C10 C11 107.2(7) . . ?
N3 C10 C15 112.5(8) . . ?
C11 C10 C15 112.2(7) . . ?
N4 C11 C12 113.0(8) . . ?
N4 C11 C10 108.4(7) . . ?
C12 C11 C10 110.1(7) . . ?
C11 C12 C13 110.4(9) . . ?
C14 C13 C12 111.6(7) . . ?
C13 C14 C15 111.2(7) . . ?
C10 C15 C14 109.8(8) . . ?
O6 C16 O4 124.6(10) . . ?
O6 C16 C17 120.9(11) . . ?
O4 C16 C17 114.4(10) . . ?
O5 C17 C19 115.2(10) . . ?
O5 C17 C16 110.8(10) . . ?
C19 C17 C16 112.1(10) . . ?
O9 C18 O8 122.0(11) . . ?
O9 C18 C19 123.5(11) . . ?
O8 C18 C19 114.4(12) . . ?
C18 C19 C17 113.7(13) . . ?
C18 C19 Pt2 101.4(8) . . ?
C17 C19 Pt2 106.9(8) . . ?
O16 C20 O11 123.9(12) . . ?
O16 C20 C9 123.8(11) . . ?
O11 C20 C9 112.3(12) . . ?

