# 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 
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data_21ma_SS_PtMe2PrPyrr
_database_code_depnum_ccdc_archive 'CCDC 2271558'
loop_
_audit_author_name
_audit_author_address
'Orde Munro'
;University of Leeds
United Kingdom
;
_audit_update_record             
;
2023-08-30 deposited with the CCDC.	2023-09-04 downloaded from the CCDC.
;
_audit_creation_date             2021-09-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H18 N4 Pt'
_chemical_formula_sum            'C15 H18 N4 Pt'
_chemical_formula_weight         449.42
_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'
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                   13.7803(5)
_cell_length_b                   15.2877(5)
_cell_length_c                   16.8165(6)
_cell_angle_alpha                103.788(2)
_cell_angle_beta                 104.926(2)
_cell_angle_gamma                107.795(2)
_cell_volume                     3059.76(19)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9856
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      24.75
_cell_measurement_theta_min      2.25
_shelx_estimated_absorpt_T_max   0.543
_shelx_estimated_absorpt_T_min   0.230
_exptl_absorpt_coefficient_mu    9.167
_exptl_absorpt_correction_T_max  0.568
_exptl_absorpt_correction_T_min  0.222
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.951
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       blocky
_exptl_crystal_F_000             1712
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 1.00 -1.00 0.0930
1.00 -1.00 1.00 0.0630
-2.00 1.00 2.00 0.0520
2.00 -1.00 -2.00 0.0760
-1.00 -2.00 1.00 0.0380
1.00 2.00 -1.00 0.0260
0.00 0.00 1.00 0.0710
0.00 0.00 -1.00 0.1270
1.00 -2.00 -1.00 0.0780
-2.00 -1.00 2.00 0.0400
1.00 0.00 -1.00 0.0700

_exptl_crystal_size_max          0.227
_exptl_crystal_size_mid          0.161
_exptl_crystal_size_min          0.076
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_unetI/netI     0.0536
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            113600
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        30.500
_diffrn_reflns_theta_max         30.565
_diffrn_reflns_theta_min         1.490
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_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                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13600
_reflns_number_total             18723
_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_cell_refinement       'SAINT V8.34A (Bruker AXS)'
_computing_data_collection       'APEX 2 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.961
_refine_diff_density_min         -1.099
_refine_diff_density_rms         0.173
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     729
_refine_ls_number_reflns         18723
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0327
_refine_ls_restrained_S_all      1.004
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0192P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0527
_refine_ls_wR_factor_ref         0.0590
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C6A(H6AA,H6AB), C8A(H8AA,H8AB), C6B(H6BA,H6BB), C8B(H8BA,H8BB), C6C(H6CA,
 H6CB), C8C(H8CA,H8CB), C6D(H6DA,H6DB), C8D(H8DA,H8DB)
2.b Aromatic/amide H refined with riding coordinates:
 C1A(H1A), C2A(H2A), C3A(H3A), C5A(H5A), C9A(H9A), C11A(H11A), C12A(H12A),
 C13A(H13A), C1B(H1B), C2B(H2B), C3B(H3B), C5B(H5B), C9B(H9B), C11B(H11B),
 C12B(H12B), C13B(H13B), C1C(H1C), C2C(H2C), C3C(H3C), C5C(H5C), C9C(H9C),
 C11C(H11C), C12C(H12C), C13C(H13C), C1D(H1D), C2D(H2D), C3D(H3D), C5D(H5D),
 C9D(H9D), C11D(H11D), C12D(H12D), C13D(H13D)
2.c Idealised Me refined as rotating group:
 C14A(H14A,H14B,H14C), C15A(H15A,H15B,H15C), C14B(H14D,H14E,H14F), C15B(H15D,
 H15E,H15F), C14C(H14G,H14H,H14I), C15C(H15G,H15H,H15I), C14D(H14J,H14K,H14L),
 C15D(H15J,H15K,H15L)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Pt1A Pt 0.39365(2) 0.03425(2) 0.43425(2) 0.02367(4) Uani 1 1 d . . . . .
N1A N 0.3859(3) -0.0564(2) 0.3218(2) 0.0286(8) Uani 1 1 d . . . . .
N2A N 0.5407(3) 0.1065(2) 0.4321(2) 0.0250(7) Uani 1 1 d . . . . .
N3A N 0.4102(3) 0.1329(2) 0.5446(2) 0.0261(7) Uani 1 1 d . . . . .
N4A N 0.2470(3) -0.0275(2) 0.4428(2) 0.0269(8) Uani 1 1 d . . . . .
C1A C 0.3171(4) -0.1408(3) 0.2568(3) 0.0334(10) Uani 1 1 d . . . . .
H1A H 0.246495 -0.179419 0.253471 0.040 Uiso 1 1 calc R U . . .
C2A C 0.3642(4) -0.1634(3) 0.1951(3) 0.0389(11) Uani 1 1 d . . . . .
H2A H 0.332025 -0.219130 0.143046 0.047 Uiso 1 1 calc R U . . .
C3A C 0.4671(4) -0.0896(3) 0.2236(3) 0.0367(11) Uani 1 1 d . . . . .
H3A H 0.518800 -0.084654 0.195143 0.044 Uiso 1 1 calc R U . . .
C4A C 0.4790(3) -0.0241(3) 0.3026(3) 0.0280(9) Uani 1 1 d . . . . .
C5A C 0.5625(3) 0.0668(3) 0.3647(3) 0.0326(10) Uani 1 1 d . . . . .
H5A H 0.629468 0.096226 0.357258 0.039 Uiso 1 1 calc R U . . .
C6A C 0.6223(3) 0.1968(3) 0.5022(3) 0.0340(10) Uani 1 1 d . . . . .
H6AA H 0.673470 0.232703 0.478079 0.041 Uiso 1 1 calc R U . . .
H6AB H 0.664747 0.179341 0.548500 0.041 Uiso 1 1 calc R U . . .
C7A C 0.5727(3) 0.2646(3) 0.5435(3) 0.0309(10) Uani 1 1 d . . . . .
C8A C 0.5096(3) 0.2210(3) 0.5970(3) 0.0315(10) Uani 1 1 d . . . . .
H8AA H 0.558326 0.204683 0.640284 0.038 Uiso 1 1 calc R U . . .
H8AB H 0.489591 0.271266 0.629916 0.038 Uiso 1 1 calc R U . . .
C9A C 0.3264(3) 0.1132(3) 0.5691(3) 0.0288(9) Uani 1 1 d . . . . .
H9A H 0.326843 0.155500 0.620864 0.035 Uiso 1 1 calc R U . . .
C10A C 0.2344(3) 0.0259(3) 0.5155(3) 0.0307(10) Uani 1 1 d . . . . .
C11A C 0.1296(4) -0.0171(3) 0.5142(3) 0.0358(11) Uani 1 1 d . . . . .
H11A H 0.100284 0.004898 0.556656 0.043 Uiso 1 1 calc R U . . .
C12A C 0.0757(3) -0.0995(3) 0.4378(3) 0.0363(11) Uani 1 1 d . . . . .
H12A H 0.002216 -0.144636 0.418051 0.044 Uiso 1 1 calc R U . . .
C13A C 0.1504(3) -0.1026(3) 0.3964(3) 0.0318(10) Uani 1 1 d . . . . .
H13A H 0.135144 -0.151328 0.342623 0.038 Uiso 1 1 calc R U . . .
C14A C 0.5000(4) 0.2879(3) 0.4733(3) 0.0406(11) Uani 1 1 d . . . . .
H14A H 0.475510 0.336594 0.501333 0.061 Uiso 1 1 calc R U . . .
H14B H 0.436534 0.228035 0.434501 0.061 Uiso 1 1 calc R U . . .
H14C H 0.541498 0.313962 0.438871 0.061 Uiso 1 1 calc R U . . .
C15A C 0.6677(4) 0.3592(3) 0.6086(3) 0.0481(13) Uani 1 1 d . . . . .
H15A H 0.714709 0.343694 0.652972 0.072 Uiso 1 1 calc R U . . .
H15B H 0.638891 0.403684 0.637319 0.072 Uiso 1 1 calc R U . . .
H15C H 0.710194 0.390592 0.577250 0.072 Uiso 1 1 calc R U . . .
Pt1B Pt 0.43076(2) 0.48728(2) 0.88547(2) 0.03034(4) Uani 1 1 d . . . . .
N1B N 0.3190(3) 0.3487(2) 0.8314(2) 0.0320(8) Uani 1 1 d . . . . .
N2B N 0.5252(3) 0.4161(3) 0.8594(2) 0.0320(8) Uani 1 1 d . . . . .
N3B N 0.5484(3) 0.6212(3) 0.9331(2) 0.0377(9) Uani 1 1 d . . . . .
N4B N 0.3448(3) 0.5684(3) 0.9122(2) 0.0368(9) Uani 1 1 d . . . . .
C1B C 0.2108(4) 0.2988(3) 0.8032(3) 0.0400(11) Uani 1 1 d . . . . .
H1B H 0.159429 0.327240 0.808733 0.048 Uiso 1 1 calc R U . . .
C2B C 0.1847(4) 0.1996(3) 0.7647(3) 0.0431(12) Uani 1 1 d . . . . .
H2B H 0.113504 0.149303 0.739760 0.052 Uiso 1 1 calc R U . . .
C3B C 0.2801(4) 0.1873(3) 0.7693(3) 0.0422(12) Uani 1 1 d . . . . .
H3B H 0.287956 0.127287 0.748677 0.051 Uiso 1 1 calc R U . . .
C4B C 0.3636(4) 0.2807(3) 0.8104(3) 0.0339(10) Uani 1 1 d . . . . .
C5B C 0.4771(4) 0.3216(3) 0.8258(3) 0.0359(11) Uani 1 1 d . . . . .
H5B H 0.515677 0.281737 0.812094 0.043 Uiso 1 1 calc R U . . .
C6B C 0.6420(4) 0.4650(3) 0.8761(3) 0.0421(12) Uani 1 1 d . . . . .
H6BA H 0.662123 0.423233 0.833894 0.050 Uiso 1 1 calc R U . . .
H6BB H 0.684291 0.470552 0.935689 0.050 Uiso 1 1 calc R U . . .
C7B C 0.6757(4) 0.5679(3) 0.8686(3) 0.0410(11) Uani 1 1 d . . . . .
C8B C 0.6623(4) 0.6397(3) 0.9423(3) 0.0455(12) Uani 1 1 d . . . . .
H8BA H 0.700318 0.635800 0.999110 0.055 Uiso 1 1 calc R U . . .
H8BB H 0.698189 0.707085 0.943492 0.055 Uiso 1 1 calc R U . . .
C9B C 0.5187(4) 0.6934(3) 0.9549(3) 0.0449(12) Uani 1 1 d . . . . .
H9B H 0.568618 0.759641 0.975821 0.054 Uiso 1 1 calc R U . . .
C10B C 0.4080(4) 0.6681(3) 0.9459(3) 0.0443(12) Uani 1 1 d . . . . .
C11B C 0.3409(5) 0.7184(4) 0.9606(3) 0.0559(15) Uani 1 1 d . . . . .
H11B H 0.362567 0.787314 0.983023 0.067 Uiso 1 1 calc R U . . .
C12B C 0.2375(5) 0.6486(4) 0.9363(3) 0.0581(15) Uani 1 1 d . . . . .
H12B H 0.174674 0.660571 0.939542 0.070 Uiso 1 1 calc R U . . .
C13B C 0.2418(4) 0.5571(4) 0.9060(3) 0.0456(12) Uani 1 1 d . . . . .
H13B H 0.181349 0.496101 0.884370 0.055 Uiso 1 1 calc R U . . .
C14B C 0.6104(4) 0.5651(3) 0.7792(3) 0.0436(12) Uani 1 1 d . . . . .
H14D H 0.625981 0.524611 0.733465 0.065 Uiso 1 1 calc R U . . .
H14E H 0.630864 0.631695 0.777414 0.065 Uiso 1 1 calc R U . . .
H14F H 0.532297 0.537166 0.769211 0.065 Uiso 1 1 calc R U . . .
C15B C 0.7969(4) 0.6032(4) 0.8819(3) 0.0617(16) Uani 1 1 d . . . . .
H15D H 0.838302 0.606100 0.940064 0.093 Uiso 1 1 calc R U . . .
H15E H 0.821848 0.668414 0.877298 0.093 Uiso 1 1 calc R U . . .
H15F H 0.808294 0.557556 0.836892 0.093 Uiso 1 1 calc R U . . .
Pt1C Pt 0.14568(2) 0.57948(2) 0.53600(2) 0.02428(4) Uani 1 1 d . . . . .
N1C N 0.0819(3) 0.5847(2) 0.4161(2) 0.0282(8) Uani 1 1 d . . . . .
N2C N 0.1143(3) 0.4435(2) 0.4613(2) 0.0256(7) Uani 1 1 d . . . . .
N3C N 0.2166(3) 0.5665(2) 0.6500(2) 0.0276(8) Uani 1 1 d . . . . .
N4C N 0.1778(3) 0.7126(2) 0.6189(2) 0.0287(8) Uani 1 1 d . . . . .
C1C C 0.0704(3) 0.6514(3) 0.3790(3) 0.0369(11) Uani 1 1 d . . . . .
H1C H 0.086683 0.717870 0.410156 0.044 Uiso 1 1 calc R U . . .
C2C C 0.0311(4) 0.6087(3) 0.2882(3) 0.0411(11) Uani 1 1 d . . . . .
H2C H 0.015156 0.639833 0.246870 0.049 Uiso 1 1 calc R U . . .
C3C C 0.0194(3) 0.5116(4) 0.2695(3) 0.0393(11) Uani 1 1 d . . . . .
H3C H -0.005865 0.463599 0.213053 0.047 Uiso 1 1 calc R U . . .
C4C C 0.0517(3) 0.4986(3) 0.3492(3) 0.0310(10) Uani 1 1 d . . . . .
C5C C 0.0683(3) 0.4224(3) 0.3779(3) 0.0295(9) Uani 1 1 d . . . . .
H5C H 0.046567 0.358564 0.337601 0.035 Uiso 1 1 calc R U . . .
C6C C 0.1326(3) 0.3707(3) 0.4991(3) 0.0293(9) Uani 1 1 d . . . . .
H6CA H 0.134137 0.317152 0.453466 0.035 Uiso 1 1 calc R U . . .
H6CB H 0.070412 0.342405 0.517003 0.035 Uiso 1 1 calc R U . . .
C7C C 0.2390(3) 0.4120(3) 0.5789(3) 0.0281(9) Uani 1 1 d . . . . .
C8C C 0.2280(4) 0.4763(3) 0.6586(2) 0.0307(10) Uani 1 1 d . . . . .
H8CA H 0.163574 0.437343 0.668975 0.037 Uiso 1 1 calc R U . . .
H8CB H 0.293163 0.494262 0.710830 0.037 Uiso 1 1 calc R U . . .
C9C C 0.2494(4) 0.6432(3) 0.7192(3) 0.0364(11) Uani 1 1 d . . . . .
H9C H 0.285151 0.644389 0.776134 0.044 Uiso 1 1 calc R U . . .
C10C C 0.2291(4) 0.7250(3) 0.7057(3) 0.0348(10) Uani 1 1 d . . . . .
C11C C 0.2422(4) 0.8166(3) 0.7585(3) 0.0410(12) Uani 1 1 d . . . . .
H11C H 0.275072 0.844070 0.820585 0.049 Uiso 1 1 calc R U . . .
C12C C 0.1984(4) 0.8597(3) 0.7033(3) 0.0367(11) Uani 1 1 d . . . . .
H12C H 0.195424 0.922449 0.720393 0.044 Uiso 1 1 calc R U . . .
C13C C 0.1594(3) 0.7945(3) 0.6183(3) 0.0318(10) Uani 1 1 d . . . . .
H13C H 0.124879 0.805617 0.567208 0.038 Uiso 1 1 calc R U . . .
C14C C 0.3359(3) 0.4663(3) 0.5579(3) 0.0356(10) Uani 1 1 d . . . . .
H14G H 0.327483 0.523584 0.545455 0.053 Uiso 1 1 calc R U . . .
H14H H 0.339625 0.422841 0.506604 0.053 Uiso 1 1 calc R U . . .
H14I H 0.403124 0.487688 0.608232 0.053 Uiso 1 1 calc R U . . .
C15C C 0.2538(4) 0.3246(3) 0.6020(3) 0.0402(11) Uani 1 1 d . . . . .
H15G H 0.319695 0.348083 0.654013 0.060 Uiso 1 1 calc R U . . .
H15H H 0.260836 0.280907 0.552680 0.060 Uiso 1 1 calc R U . . .
H15I H 0.190192 0.288801 0.614139 0.060 Uiso 1 1 calc R U . . .
Pt1D Pt 0.87251(2) 0.89847(2) 0.93283(2) 0.02376(4) Uani 1 1 d . . . . .
N1D N 0.9521(3) 0.8473(2) 1.0163(2) 0.0277(8) Uani 1 1 d . . . . .
N2D N 0.9793(3) 0.8763(2) 0.8777(2) 0.0247(7) Uani 1 1 d . . . . .
N3D N 0.7943(3) 0.9409(2) 0.8406(2) 0.0284(8) Uani 1 1 d . . . . .
N4D N 0.7626(3) 0.9261(2) 0.9827(2) 0.0270(8) Uani 1 1 d . . . . .
C1D C 0.9451(4) 0.8192(3) 1.0847(3) 0.0332(10) Uani 1 1 d . . . . .
H1D H 0.893635 0.824062 1.111945 0.040 Uiso 1 1 calc R U . . .
C2D C 1.0234(4) 0.7818(3) 1.1107(3) 0.0369(11) Uani 1 1 d . . . . .
H2D H 1.035247 0.757142 1.157579 0.044 Uiso 1 1 calc R U . . .
C3D C 1.0808(4) 0.7878(3) 1.0538(3) 0.0388(11) Uani 1 1 d . . . . .
H3D H 1.140321 0.768584 1.054901 0.047 Uiso 1 1 calc R U . . .
C4D C 1.0349(3) 0.8273(3) 0.9952(3) 0.0289(9) Uani 1 1 d . . . . .
C5D C 1.0483(3) 0.8457(3) 0.9194(3) 0.0311(10) Uani 1 1 d . . . . .
H5D H 1.104416 0.836230 0.899978 0.037 Uiso 1 1 calc R U . . .
C6D C 0.9864(3) 0.9011(3) 0.8002(3) 0.0309(10) Uani 1 1 d . . . . .
H6DA H 1.023931 0.864416 0.772156 0.037 Uiso 1 1 calc R U . . .
H6DB H 1.031990 0.971745 0.819004 0.037 Uiso 1 1 calc R U . . .
C7D C 0.8753(3) 0.8789(3) 0.7313(2) 0.0266(9) Uani 1 1 d . . . . .
C8D C 0.8252(4) 0.9503(3) 0.7649(3) 0.0330(10) Uani 1 1 d . . . . .
H8DA H 0.878332 1.017921 0.781106 0.040 Uiso 1 1 calc R U . . .
H8DB H 0.759596 0.940135 0.716518 0.040 Uiso 1 1 calc R U . . .
C9D C 0.7144(4) 0.9623(3) 0.8529(3) 0.0341(10) Uani 1 1 d . . . . .
H9D H 0.671227 0.981326 0.811950 0.041 Uiso 1 1 calc R U . . .
C10D C 0.6938(4) 0.9563(3) 0.9305(3) 0.0346(10) Uani 1 1 d . . . . .
C11D C 0.6252(4) 0.9785(3) 0.9717(3) 0.0385(11) Uani 1 1 d . . . . .
H11D H 0.570292 1.001022 0.950053 0.046 Uiso 1 1 calc R U . . .
C12D C 0.6513(3) 0.9617(3) 1.0504(3) 0.0360(11) Uani 1 1 d . . . . .
H12D H 0.617798 0.970597 1.092858 0.043 Uiso 1 1 calc R U . . .
C13D C 0.7360(3) 0.9294(3) 1.0551(3) 0.0309(10) Uani 1 1 d . . . . .
H13D H 0.770177 0.912232 1.102286 0.037 Uiso 1 1 calc R U . . .
C14D C 0.7984(3) 0.7731(3) 0.7065(3) 0.0334(10) Uani 1 1 d . . . . .
H14J H 0.781339 0.763114 0.757562 0.050 Uiso 1 1 calc R U . . .
H14K H 0.833399 0.729378 0.687015 0.050 Uiso 1 1 calc R U . . .
H14L H 0.730865 0.758579 0.658931 0.050 Uiso 1 1 calc R U . . .
C15D C 0.8997(4) 0.8982(3) 0.6520(3) 0.0375(11) Uani 1 1 d . . . . .
H15J H 0.831241 0.883578 0.605350 0.056 Uiso 1 1 calc R U . . .
H15K H 0.935694 0.856366 0.630698 0.056 Uiso 1 1 calc R U . . .
H15L H 0.947651 0.967055 0.669029 0.056 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
Pt1A N1A 2.016(3) . ?
Pt1A N2A 2.005(3) . ?
Pt1A N3A 2.003(3) . ?
Pt1A N4A 2.010(3) . ?
N1A C1A 1.344(5) . ?
N1A C4A 1.377(5) . ?
N2A C5A 1.304(5) . ?
N2A C6A 1.467(5) . ?
N3A C8A 1.466(5) . ?
N3A C9A 1.298(5) . ?
N4A C10A 1.383(5) . ?
N4A C13A 1.343(5) . ?
C1A H1A 0.9500 . ?
C1A C2A 1.390(6) . ?
C2A H2A 0.9500 . ?
C2A C3A 1.388(6) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.396(5) . ?
C4A C5A 1.435(6) . ?
C5A H5A 0.9500 . ?
C6A H6AA 0.9900 . ?
C6A H6AB 0.9900 . ?
C6A C7A 1.536(5) . ?
C7A C8A 1.531(6) . ?
C7A C14A 1.528(6) . ?
C7A C15A 1.534(6) . ?
C8A H8AA 0.9900 . ?
C8A H8AB 0.9900 . ?
C9A H9A 0.9500 . ?
C9A C10A 1.416(6) . ?
C10A C11A 1.384(6) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.398(6) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.389(6) . ?
C13A H13A 0.9500 . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C15A H15C 0.9800 . ?
Pt1B N1B 2.013(3) . ?
Pt1B N2B 2.000(3) . ?
Pt1B N3B 1.996(4) . ?
Pt1B N4B 2.012(4) . ?
N1B C1B 1.340(5) . ?
N1B C4B 1.383(5) . ?
N2B C5B 1.295(5) . ?
N2B C6B 1.470(5) . ?
N3B C8B 1.467(6) . ?
N3B C9B 1.296(6) . ?
N4B C10B 1.388(6) . ?
N4B C13B 1.351(6) . ?
C1B H1B 0.9500 . ?
C1B C2B 1.388(6) . ?
C2B H2B 0.9500 . ?
C2B C3B 1.369(6) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.398(6) . ?
C4B C5B 1.421(6) . ?
C5B H5B 0.9500 . ?
C6B H6BA 0.9900 . ?
C6B H6BB 0.9900 . ?
C6B C7B 1.545(6) . ?
C7B C8B 1.539(6) . ?
C7B C14B 1.522(6) . ?
C7B C15B 1.526(6) . ?
C8B H8BA 0.9900 . ?
C8B H8BB 0.9900 . ?
C9B H9B 0.9500 . ?
C9B C10B 1.411(7) . ?
C10B C11B 1.402(7) . ?
C11B H11B 0.9500 . ?
C11B C12B 1.378(7) . ?
C12B H12B 0.9500 . ?
C12B C13B 1.394(6) . ?
C13B H13B 0.9500 . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C15B H15F 0.9800 . ?
Pt1C N1C 2.013(3) . ?
Pt1C N2C 2.003(3) . ?
Pt1C N3C 2.001(3) . ?
Pt1C N4C 2.015(3) . ?
N1C C1C 1.344(5) . ?
N1C C4C 1.375(5) . ?
N2C C5C 1.293(5) . ?
N2C C6C 1.460(5) . ?
N3C C8C 1.470(5) . ?
N3C C9C 1.300(5) . ?
N4C C10C 1.387(5) . ?
N4C C13C 1.352(5) . ?
C1C H1C 0.9500 . ?
C1C C2C 1.390(6) . ?
C2C H2C 0.9500 . ?
C2C C3C 1.391(6) . ?
C3C H3C 0.9500 . ?
C3C C4C 1.380(6) . ?
C4C C5C 1.421(6) . ?
C5C H5C 0.9500 . ?
C6C H6CA 0.9900 . ?
C6C H6CB 0.9900 . ?
C6C C7C 1.539(5) . ?
C7C C8C 1.535(5) . ?
C7C C14C 1.516(6) . ?
C7C C15C 1.535(5) . ?
C8C H8CA 0.9900 . ?
C8C H8CB 0.9900 . ?
C9C H9C 0.9500 . ?
C9C C10C 1.417(6) . ?
C10C C11C 1.398(6) . ?
C11C H11C 0.9500 . ?
C11C C12C 1.381(6) . ?
C12C H12C 0.9500 . ?
C12C C13C 1.387(6) . ?
C13C H13C 0.9500 . ?
C14C H14G 0.9800 . ?
C14C H14H 0.9800 . ?
C14C H14I 0.9800 . ?
C15C H15G 0.9800 . ?
C15C H15H 0.9800 . ?
C15C H15I 0.9800 . ?
Pt1D N1D 2.010(3) . ?
Pt1D N2D 2.000(3) . ?
Pt1D N3D 2.009(3) . ?
Pt1D N4D 2.012(3) . ?
N1D C1D 1.336(5) . ?
N1D C4D 1.375(5) . ?
N2D C5D 1.304(5) . ?
N2D C6D 1.460(5) . ?
N3D C8D 1.467(5) . ?
N3D C9D 1.291(5) . ?
N4D C10D 1.385(5) . ?
N4D C13D 1.354(5) . ?
C1D H1D 0.9500 . ?
C1D C2D 1.391(6) . ?
C2D H2D 0.9500 . ?
C2D C3D 1.391(6) . ?
C3D H3D 0.9500 . ?
C3D C4D 1.389(6) . ?
C4D C5D 1.414(6) . ?
C5D H5D 0.9500 . ?
C6D H6DA 0.9900 . ?
C6D H6DB 0.9900 . ?
C6D C7D 1.544(5) . ?
C7D C8D 1.534(5) . ?
C7D C14D 1.523(5) . ?
C7D C15D 1.528(5) . ?
C8D H8DA 0.9900 . ?
C8D H8DB 0.9900 . ?
C9D H9D 0.9500 . ?
C9D C10D 1.421(6) . ?
C10D C11D 1.382(6) . ?
C11D H11D 0.9500 . ?
C11D C12D 1.385(6) . ?
C12D H12D 0.9500 . ?
C12D C13D 1.392(6) . ?
C13D H13D 0.9500 . ?
C14D H14J 0.9800 . ?
C14D H14K 0.9800 . ?
C14D H14L 0.9800 . ?
C15D H15J 0.9800 . ?
C15D H15K 0.9800 . ?
C15D H15L 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
N2A Pt1A N1A 80.20(13) . . ?
N2A Pt1A N4A 175.22(13) . . ?
N3A Pt1A N1A 175.41(14) . . ?
N3A Pt1A N2A 95.63(13) . . ?
N3A Pt1A N4A 79.95(13) . . ?
N4A Pt1A N1A 104.15(13) . . ?
C1A N1A Pt1A 140.1(3) . . ?
C1A N1A C4A 107.0(3) . . ?
C4A N1A Pt1A 112.9(3) . . ?
C5A N2A Pt1A 115.9(3) . . ?
C5A N2A C6A 120.6(3) . . ?
C6A N2A Pt1A 123.5(2) . . ?
C8A N3A Pt1A 123.8(2) . . ?
C9A N3A Pt1A 115.4(3) . . ?
C9A N3A C8A 120.9(3) . . ?
C10A N4A Pt1A 113.3(3) . . ?
C13A N4A Pt1A 140.3(3) . . ?
C13A N4A C10A 106.2(3) . . ?
N1A C1A H1A 125.0 . . ?
N1A C1A C2A 110.0(4) . . ?
C2A C1A H1A 125.0 . . ?
C1A C2A H2A 126.3 . . ?
C3A C2A C1A 107.4(4) . . ?
C3A C2A H2A 126.3 . . ?
C2A C3A H3A 127.0 . . ?
C2A C3A C4A 105.9(4) . . ?
C4A C3A H3A 127.0 . . ?
N1A C4A C3A 109.6(4) . . ?
N1A C4A C5A 115.2(3) . . ?
C3A C4A C5A 135.1(4) . . ?
N2A C5A C4A 115.8(4) . . ?
N2A C5A H5A 122.1 . . ?
C4A C5A H5A 122.1 . . ?
N2A C6A H6AA 108.9 . . ?
N2A C6A H6AB 108.9 . . ?
N2A C6A C7A 113.6(3) . . ?
H6AA C6A H6AB 107.7 . . ?
C7A C6A H6AA 108.9 . . ?
C7A C6A H6AB 108.9 . . ?
C8A C7A C6A 111.6(3) . . ?
C8A C7A C15A 106.3(4) . . ?
C14A C7A C6A 110.6(4) . . ?
C14A C7A C8A 110.9(3) . . ?
C14A C7A C15A 109.8(4) . . ?
C15A C7A C6A 107.3(3) . . ?
N3A C8A C7A 114.5(3) . . ?
N3A C8A H8AA 108.6 . . ?
N3A C8A H8AB 108.6 . . ?
C7A C8A H8AA 108.6 . . ?
C7A C8A H8AB 108.6 . . ?
H8AA C8A H8AB 107.6 . . ?
N3A C9A H9A 121.4 . . ?
N3A C9A C10A 117.2(4) . . ?
C10A C9A H9A 121.4 . . ?
N4A C10A C9A 114.2(4) . . ?
N4A C10A C11A 110.3(4) . . ?
C11A C10A C9A 135.3(4) . . ?
C10A C11A H11A 127.0 . . ?
C10A C11A C12A 106.0(4) . . ?
C12A C11A H11A 127.0 . . ?
C11A C12A H12A 126.6 . . ?
C13A C12A C11A 106.8(4) . . ?
C13A C12A H12A 126.6 . . ?
N4A C13A C12A 110.8(4) . . ?
N4A C13A H13A 124.6 . . ?
C12A C13A H13A 124.6 . . ?
C7A C14A H14A 109.5 . . ?
C7A C14A H14B 109.5 . . ?
C7A C14A H14C 109.5 . . ?
H14A C14A H14B 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
C7A C15A H15A 109.5 . . ?
C7A C15A H15B 109.5 . . ?
C7A C15A H15C 109.5 . . ?
H15A C15A H15B 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
N2B Pt1B N1B 79.94(14) . . ?
N2B Pt1B N4B 175.53(15) . . ?
N3B Pt1B N1B 175.29(15) . . ?
N3B Pt1B N2B 95.89(15) . . ?
N3B Pt1B N4B 79.84(16) . . ?
N4B Pt1B N1B 104.27(15) . . ?
C1B N1B Pt1B 140.4(3) . . ?
C1B N1B C4B 106.5(4) . . ?
C4B N1B Pt1B 113.0(3) . . ?
C5B N2B Pt1B 115.8(3) . . ?
C5B N2B C6B 120.4(4) . . ?
C6B N2B Pt1B 123.8(3) . . ?
C8B N3B Pt1B 123.3(3) . . ?
C9B N3B Pt1B 116.2(3) . . ?
C9B N3B C8B 120.5(4) . . ?
C10B N4B Pt1B 112.7(3) . . ?
C13B N4B Pt1B 139.9(3) . . ?
C13B N4B C10B 107.4(4) . . ?
N1B C1B H1B 124.9 . . ?
N1B C1B C2B 110.3(4) . . ?
C2B C1B H1B 124.9 . . ?
C1B C2B H2B 126.2 . . ?
C3B C2B C1B 107.6(4) . . ?
C3B C2B H2B 126.2 . . ?
C2B C3B H3B 126.8 . . ?
C2B C3B C4B 106.3(4) . . ?
C4B C3B H3B 126.8 . . ?
N1B C4B C3B 109.2(4) . . ?
N1B C4B C5B 114.5(4) . . ?
C3B C4B C5B 135.8(4) . . ?
N2B C5B C4B 116.6(4) . . ?
N2B C5B H5B 121.7 . . ?
C4B C5B H5B 121.7 . . ?
N2B C6B H6BA 108.6 . . ?
N2B C6B H6BB 108.6 . . ?
N2B C6B C7B 114.5(4) . . ?
H6BA C6B H6BB 107.6 . . ?
C7B C6B H6BA 108.6 . . ?
C7B C6B H6BB 108.6 . . ?
C8B C7B C6B 110.5(4) . . ?
C14B C7B C6B 111.3(4) . . ?
C14B C7B C8B 110.6(4) . . ?
C14B C7B C15B 110.1(4) . . ?
C15B C7B C6B 106.6(4) . . ?
C15B C7B C8B 107.6(4) . . ?
N3B C8B C7B 114.0(4) . . ?
N3B C8B H8BA 108.8 . . ?
N3B C8B H8BB 108.8 . . ?
C7B C8B H8BA 108.8 . . ?
C7B C8B H8BB 108.8 . . ?
H8BA C8B H8BB 107.6 . . ?
N3B C9B H9B 121.9 . . ?
N3B C9B C10B 116.3(4) . . ?
C10B C9B H9B 121.9 . . ?
N4B C10B C9B 114.9(4) . . ?
N4B C10B C11B 108.5(5) . . ?
C11B C10B C9B 136.5(5) . . ?
C10B C11B H11B 126.6 . . ?
C12B C11B C10B 106.9(5) . . ?
C12B C11B H11B 126.6 . . ?
C11B C12B H12B 126.2 . . ?
C11B C12B C13B 107.6(5) . . ?
C13B C12B H12B 126.2 . . ?
N4B C13B C12B 109.6(5) . . ?
N4B C13B H13B 125.2 . . ?
C12B C13B H13B 125.2 . . ?
C7B C14B H14D 109.5 . . ?
C7B C14B H14E 109.5 . . ?
C7B C14B H14F 109.5 . . ?
H14D C14B H14E 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
C7B C15B H15D 109.5 . . ?
C7B C15B H15E 109.5 . . ?
C7B C15B H15F 109.5 . . ?
H15D C15B H15E 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
N1C Pt1C N4C 104.34(13) . . ?
N2C Pt1C N1C 79.76(13) . . ?
N2C Pt1C N4C 175.67(13) . . ?
N3C Pt1C N1C 174.26(13) . . ?
N3C Pt1C N2C 95.77(13) . . ?
N3C Pt1C N4C 80.22(13) . . ?
C1C N1C Pt1C 138.8(3) . . ?
C1C N1C C4C 107.1(4) . . ?
C4C N1C Pt1C 113.5(3) . . ?
C5C N2C Pt1C 115.4(3) . . ?
C5C N2C C6C 122.3(3) . . ?
C6C N2C Pt1C 122.1(2) . . ?
C8C N3C Pt1C 124.1(2) . . ?
C9C N3C Pt1C 115.5(3) . . ?
C9C N3C C8C 120.3(3) . . ?
C10C N4C Pt1C 112.6(3) . . ?
C13C N4C Pt1C 140.1(3) . . ?
C13C N4C C10C 107.1(3) . . ?
N1C C1C H1C 125.1 . . ?
N1C C1C C2C 109.8(4) . . ?
C2C C1C H1C 125.1 . . ?
C1C C2C H2C 126.5 . . ?
C1C C2C C3C 107.0(4) . . ?
C3C C2C H2C 126.5 . . ?
C2C C3C H3C 126.8 . . ?
C4C C3C C2C 106.5(4) . . ?
C4C C3C H3C 126.8 . . ?
N1C C4C C3C 109.7(4) . . ?
N1C C4C C5C 114.0(4) . . ?
C3C C4C C5C 136.1(4) . . ?
N2C C5C C4C 117.2(4) . . ?
N2C C5C H5C 121.4 . . ?
C4C C5C H5C 121.4 . . ?
N2C C6C H6CA 108.8 . . ?
N2C C6C H6CB 108.8 . . ?
N2C C6C C7C 113.7(3) . . ?
H6CA C6C H6CB 107.7 . . ?
C7C C6C H6CA 108.8 . . ?
C7C C6C H6CB 108.8 . . ?
C8C C7C C6C 110.2(3) . . ?
C14C C7C C6C 111.1(3) . . ?
C14C C7C C8C 112.2(3) . . ?
C14C C7C C15C 109.8(3) . . ?
C15C C7C C6C 106.9(3) . . ?
C15C C7C C8C 106.4(3) . . ?
N3C C8C C7C 114.5(3) . . ?
N3C C8C H8CA 108.6 . . ?
N3C C8C H8CB 108.6 . . ?
C7C C8C H8CA 108.6 . . ?
C7C C8C H8CB 108.6 . . ?
H8CA C8C H8CB 107.6 . . ?
N3C C9C H9C 121.6 . . ?
N3C C9C C10C 116.8(4) . . ?
C10C C9C H9C 121.6 . . ?
N4C C10C C9C 114.8(4) . . ?
N4C C10C C11C 108.6(4) . . ?
C11C C10C C9C 136.5(4) . . ?
C10C C11C H11C 126.5 . . ?
C12C C11C C10C 107.0(4) . . ?
C12C C11C H11C 126.5 . . ?
C11C C12C H12C 126.3 . . ?
C11C C12C C13C 107.3(4) . . ?
C13C C12C H12C 126.3 . . ?
N4C C13C C12C 110.0(4) . . ?
N4C C13C H13C 125.0 . . ?
C12C C13C H13C 125.0 . . ?
C7C C14C H14G 109.5 . . ?
C7C C14C H14H 109.5 . . ?
C7C C14C H14I 109.5 . . ?
H14G C14C H14H 109.5 . . ?
H14G C14C H14I 109.5 . . ?
H14H C14C H14I 109.5 . . ?
C7C C15C H15G 109.5 . . ?
C7C C15C H15H 109.5 . . ?
C7C C15C H15I 109.5 . . ?
H15G C15C H15H 109.5 . . ?
H15G C15C H15I 109.5 . . ?
H15H C15C H15I 109.5 . . ?
N1D Pt1D N4D 104.20(13) . . ?
N2D Pt1D N1D 79.77(13) . . ?
N2D Pt1D N3D 96.06(13) . . ?
N2D Pt1D N4D 175.94(13) . . ?
N3D Pt1D N1D 174.79(12) . . ?
N3D Pt1D N4D 80.03(13) . . ?
C1D N1D Pt1D 139.2(3) . . ?
C1D N1D C4D 107.2(3) . . ?
C4D N1D Pt1D 113.3(3) . . ?
C5D N2D Pt1D 115.7(3) . . ?
C5D N2D C6D 121.8(3) . . ?
C6D N2D Pt1D 122.3(2) . . ?
C8D N3D Pt1D 123.7(2) . . ?
C9D N3D Pt1D 115.4(3) . . ?
C9D N3D C8D 120.9(3) . . ?
C10D N4D Pt1D 113.0(3) . . ?
C13D N4D Pt1D 140.1(3) . . ?
C13D N4D C10D 106.8(3) . . ?
N1D C1D H1D 124.6 . . ?
N1D C1D C2D 110.9(4) . . ?
C2D C1D H1D 124.6 . . ?
C1D C2D H2D 127.1 . . ?
C3D C2D C1D 105.8(4) . . ?
C3D C2D H2D 127.1 . . ?
C2D C3D H3D 126.3 . . ?
C4D C3D C2D 107.3(4) . . ?
C4D C3D H3D 126.4 . . ?
N1D C4D C3D 108.8(4) . . ?
N1D C4D C5D 114.8(4) . . ?
C3D C4D C5D 136.2(4) . . ?
N2D C5D C4D 116.3(4) . . ?
N2D C5D H5D 121.8 . . ?
C4D C5D H5D 121.8 . . ?
N2D C6D H6DA 108.6 . . ?
N2D C6D H6DB 108.6 . . ?
N2D C6D C7D 114.4(3) . . ?
H6DA C6D H6DB 107.6 . . ?
C7D C6D H6DA 108.6 . . ?
C7D C6D H6DB 108.6 . . ?
C8D C7D C6D 110.6(3) . . ?
C14D C7D C6D 110.6(3) . . ?
C14D C7D C8D 111.3(3) . . ?
C14D C7D C15D 110.9(3) . . ?
C15D C7D C6D 106.0(3) . . ?
C15D C7D C8D 107.2(3) . . ?
N3D C8D C7D 114.9(3) . . ?
N3D C8D H8DA 108.5 . . ?
N3D C8D H8DB 108.5 . . ?
C7D C8D H8DA 108.5 . . ?
C7D C8D H8DB 108.5 . . ?
H8DA C8D H8DB 107.5 . . ?
N3D C9D H9D 121.4 . . ?
N3D C9D C10D 117.1(4) . . ?
C10D C9D H9D 121.4 . . ?
N4D C10D C9D 114.5(4) . . ?
C11D C10D N4D 109.1(4) . . ?
C11D C10D C9D 136.4(4) . . ?
C10D C11D H11D 126.3 . . ?
C10D C11D C12D 107.5(4) . . ?
C12D C11D H11D 126.3 . . ?
C11D C12D H12D 126.7 . . ?
C11D C12D C13D 106.6(4) . . ?
C13D C12D H12D 126.7 . . ?
N4D C13D C12D 110.1(4) . . ?
N4D C13D H13D 125.0 . . ?
C12D C13D H13D 125.0 . . ?
C7D C14D H14J 109.5 . . ?
C7D C14D H14K 109.5 . . ?
C7D C14D H14L 109.5 . . ?
H14J C14D H14K 109.5 . . ?
H14J C14D H14L 109.5 . . ?
H14K C14D H14L 109.5 . . ?
C7D C15D H15J 109.5 . . ?
C7D C15D H15K 109.5 . . ?
C7D C15D H15L 109.5 . . ?
H15J C15D H15K 109.5 . . ?
H15J C15D H15L 109.5 . . ?
H15K C15D H15L 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
Pt1A N1A C1A C2A 179.2(3) . . . . ?
Pt1A N1A C4A C3A -179.2(3) . . . . ?
Pt1A N1A C4A C5A -0.5(4) . . . . ?
Pt1A N2A C5A C4A -1.3(5) . . . . ?
Pt1A N2A C6A C7A -36.3(5) . . . . ?
Pt1A N3A C8A C7A 32.7(5) . . . . ?
Pt1A N3A C9A C10A -0.4(5) . . . . ?
Pt1A N4A C10A C9A 0.2(4) . . . . ?
Pt1A N4A C10A C11A 176.0(3) . . . . ?
Pt1A N4A C13A C12A -174.0(3) . . . . ?
N1A C1A C2A C3A 0.2(5) . . . . ?
N1A C4A C5A N2A 1.1(5) . . . . ?
N2A C6A C7A C8A 69.3(5) . . . . ?
N2A C6A C7A C14A -54.8(5) . . . . ?
N2A C6A C7A C15A -174.6(4) . . . . ?
N3A C9A C10A N4A 0.1(5) . . . . ?
N3A C9A C10A C11A -174.3(4) . . . . ?
N4A C10A C11A C12A -0.4(5) . . . . ?
C1A N1A C4A C3A 0.5(5) . . . . ?
C1A N1A C4A C5A 179.3(3) . . . . ?
C1A C2A C3A C4A 0.1(5) . . . . ?
C2A C3A C4A N1A -0.4(5) . . . . ?
C2A C3A C4A C5A -178.8(5) . . . . ?
C3A C4A C5A N2A 179.4(4) . . . . ?
C4A N1A C1A C2A -0.4(5) . . . . ?
C5A N2A C6A C7A 145.9(4) . . . . ?
C6A N2A C5A C4A 176.7(3) . . . . ?
C6A C7A C8A N3A -67.5(4) . . . . ?
C8A N3A C9A C10A -179.0(3) . . . . ?
C9A N3A C8A C7A -148.8(4) . . . . ?
C9A C10A C11A C12A 174.2(5) . . . . ?
C10A N4A C13A C12A -0.5(5) . . . . ?
C10A C11A C12A C13A 0.1(5) . . . . ?
C11A C12A C13A N4A 0.3(5) . . . . ?
C13A N4A C10A C9A -175.3(3) . . . . ?
C13A N4A C10A C11A 0.5(5) . . . . ?
C14A C7A C8A N3A 56.4(4) . . . . ?
C15A C7A C8A N3A 175.8(3) . . . . ?
Pt1B N1B C1B C2B 175.1(3) . . . . ?
Pt1B N1B C4B C3B -177.0(3) . . . . ?
Pt1B N1B C4B C5B -3.7(4) . . . . ?
Pt1B N2B C5B C4B 0.9(5) . . . . ?
Pt1B N2B C6B C7B -30.4(5) . . . . ?
Pt1B N3B C8B C7B 35.7(5) . . . . ?
Pt1B N3B C9B C10B 2.7(5) . . . . ?
Pt1B N4B C10B C9B 0.0(5) . . . . ?
Pt1B N4B C10B C11B 178.7(3) . . . . ?
Pt1B N4B C13B C12B -178.7(3) . . . . ?
N1B C1B C2B C3B 0.1(5) . . . . ?
N1B C4B C5B N2B 1.9(5) . . . . ?
N2B C6B C7B C8B 67.0(5) . . . . ?
N2B C6B C7B C14B -56.3(5) . . . . ?
N2B C6B C7B C15B -176.4(4) . . . . ?
N3B C9B C10B N4B -1.8(6) . . . . ?
N3B C9B C10B C11B 180.0(5) . . . . ?
N4B C10B C11B C12B 0.5(6) . . . . ?
C1B N1B C4B C3B -0.6(5) . . . . ?
C1B N1B C4B C5B 172.7(4) . . . . ?
C1B C2B C3B C4B -0.5(5) . . . . ?
C2B C3B C4B N1B 0.7(5) . . . . ?
C2B C3B C4B C5B -170.6(5) . . . . ?
C3B C4B C5B N2B 172.8(5) . . . . ?
C4B N1B C1B C2B 0.3(5) . . . . ?
C5B N2B C6B C7B 149.3(4) . . . . ?
C6B N2B C5B C4B -178.8(4) . . . . ?
C6B C7B C8B N3B -70.0(5) . . . . ?
C8B N3B C9B C10B -178.4(4) . . . . ?
C9B N3B C8B C7B -143.0(4) . . . . ?
C9B C10B C11B C12B 178.8(5) . . . . ?
C10B N4B C13B C12B -0.6(5) . . . . ?
C10B C11B C12B C13B -0.8(6) . . . . ?
C11B C12B C13B N4B 0.9(6) . . . . ?
C13B N4B C10B C9B -178.6(4) . . . . ?
C13B N4B C10B C11B 0.1(5) . . . . ?
C14B C7B C8B N3B 53.7(5) . . . . ?
C15B C7B C8B N3B 174.0(4) . . . . ?
Pt1C N1C C1C C2C 171.2(3) . . . . ?
Pt1C N1C C4C C3C -174.0(3) . . . . ?
Pt1C N1C C4C C5C 1.9(5) . . . . ?
Pt1C N2C C5C C4C 3.6(5) . . . . ?
Pt1C N2C C6C C7C -41.3(4) . . . . ?
Pt1C N3C C8C C7C 30.6(5) . . . . ?
Pt1C N3C C9C C10C 1.1(5) . . . . ?
Pt1C N4C C10C C9C 0.3(5) . . . . ?
Pt1C N4C C10C C11C -176.5(3) . . . . ?
Pt1C N4C C13C C12C 174.9(3) . . . . ?
N1C C1C C2C C3C -0.7(5) . . . . ?
N1C C4C C5C N2C -3.7(6) . . . . ?
N2C C6C C7C C8C 72.7(4) . . . . ?
N2C C6C C7C C14C -52.3(4) . . . . ?
N2C C6C C7C C15C -172.1(3) . . . . ?
N3C C9C C10C N4C -1.0(6) . . . . ?
N3C C9C C10C C11C 174.7(5) . . . . ?
N4C C10C C11C C12C 0.1(5) . . . . ?
C1C N1C C4C C3C -1.0(5) . . . . ?
C1C N1C C4C C5C 174.9(4) . . . . ?
C1C C2C C3C C4C 0.1(5) . . . . ?
C2C C3C C4C N1C 0.6(5) . . . . ?
C2C C3C C4C C5C -174.0(5) . . . . ?
C3C C4C C5C N2C 170.7(5) . . . . ?
C4C N1C C1C C2C 1.1(5) . . . . ?
C5C N2C C6C C7C 144.7(4) . . . . ?
C6C N2C C5C C4C 178.0(4) . . . . ?
C6C C7C C8C N3C -66.3(5) . . . . ?
C8C N3C C9C C10C -176.1(4) . . . . ?
C9C N3C C8C C7C -152.4(4) . . . . ?
C9C C10C C11C C12C -175.7(5) . . . . ?
C10C N4C C13C C12C 0.2(5) . . . . ?
C10C C11C C12C C13C 0.0(5) . . . . ?
C11C C12C C13C N4C -0.1(5) . . . . ?
C13C N4C C10C C9C 176.7(4) . . . . ?
C13C N4C C10C C11C -0.2(5) . . . . ?
C14C C7C C8C N3C 58.1(5) . . . . ?
C15C C7C C8C N3C 178.1(4) . . . . ?
Pt1D N1D C1D C2D 174.8(3) . . . . ?
Pt1D N1D C4D C3D -177.0(3) . . . . ?
Pt1D N1D C4D C5D -0.3(4) . . . . ?
Pt1D N2D C5D C4D 3.2(5) . . . . ?
Pt1D N2D C6D C7D -38.9(4) . . . . ?
Pt1D N3D C8D C7D 31.2(5) . . . . ?
Pt1D N3D C9D C10D 1.9(5) . . . . ?
Pt1D N4D C10D C9D -0.3(5) . . . . ?
Pt1D N4D C10D C11D -176.9(3) . . . . ?
Pt1D N4D C13D C12D 175.6(3) . . . . ?
N1D C1D C2D C3D -0.1(5) . . . . ?
N1D C4D C5D N2D -1.9(5) . . . . ?
N2D C6D C7D C8D 70.7(4) . . . . ?
N2D C6D C7D C14D -53.1(4) . . . . ?
N2D C6D C7D C15D -173.4(3) . . . . ?
N3D C9D C10D N4D -1.0(6) . . . . ?
N3D C9D C10D C11D 174.3(5) . . . . ?
N4D C10D C11D C12D -0.1(5) . . . . ?
C1D N1D C4D C3D -1.3(5) . . . . ?
C1D N1D C4D C5D 175.4(3) . . . . ?
C1D C2D C3D C4D -0.7(5) . . . . ?
C2D C3D C4D N1D 1.3(5) . . . . ?
C2D C3D C4D C5D -174.4(5) . . . . ?
C3D C4D C5D N2D 173.5(5) . . . . ?
C4D N1D C1D C2D 0.9(5) . . . . ?
C5D N2D C6D C7D 146.8(4) . . . . ?
C6D N2D C5D C4D 177.9(4) . . . . ?
C6D C7D C8D N3D -66.0(5) . . . . ?
C8D N3D C9D C10D -176.6(4) . . . . ?
C9D N3D C8D C7D -150.4(4) . . . . ?
C9D C10D C11D C12D -175.6(5) . . . . ?
C10D N4D C13D C12D -0.2(5) . . . . ?
C10D C11D C12D C13D 0.0(5) . . . . ?
C11D C12D C13D N4D 0.1(5) . . . . ?
C13D N4D C10D C9D 176.8(4) . . . . ?
C13D N4D C10D C11D 0.2(5) . . . . ?
C14D C7D C8D N3D 57.4(5) . . . . ?
C15D C7D C8D N3D 178.8(4) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 27 electrons were 
found in a volume of 229Å³ in 3 voids per unit cell. 
This is consistent with the presence of 
1.2[H2O] per Asymmetric Unit 
which account for 24 electrons 
per unit cell.
;
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 0.000 0.500 0.000 109.1 25.2 '2.4 H2O'
2 0.420 0.453 0.405 14.0 0.8 ?
3 0.498 0.238 0.245 45.6 0.0 ?
4 0.502 0.762 0.755 45.6 0.0 ?
5 0.580 0.547 0.595 14.0 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'
####################################################################### 
# 
# 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_mo_21ov_ss_ptprohpyrr_2_0m
_database_code_depnum_ccdc_archive 'CCDC 2271559'
loop_
_audit_author_name
_audit_author_address
'Orde Munro'
;University of Leeds
United Kingdom
;
_audit_update_record             
;
2023-08-30 deposited with the CCDC.	2023-09-04 downloaded from the CCDC.
;
_audit_creation_date             2023-05-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C13 H14 N4 O Pt'
_chemical_formula_sum            'C13 H14 N4 O Pt'
_chemical_formula_weight         437.37
_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                   9.0752(19)
_cell_length_b                   12.639(3)
_cell_length_c                   18.870(3)
_cell_angle_alpha                108.653(7)
_cell_angle_beta                 90.856(8)
_cell_angle_gamma                96.322(9)
_cell_volume                     2035.3(7)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    9769
_cell_measurement_temperature    173.0
_cell_measurement_theta_max      32.82
_cell_measurement_theta_min      2.59
_shelx_estimated_absorpt_T_max   0.626
_shelx_estimated_absorpt_T_min   0.258
_exptl_absorpt_coefficient_mu    10.338
_exptl_absorpt_correction_T_max  0.5685
_exptl_absorpt_correction_T_min  0.2516
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0884 before and 0.0673 after correction.
The Ratio of minimum to maximum transmission is 0.4426.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.141
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1236
_exptl_crystal_recrystallization_method 'water-ethanol mixture'
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0636
_diffrn_reflns_av_unetI/netI     0.0358
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            139345
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        33.000
_diffrn_reflns_theta_max         33.284
_diffrn_reflns_theta_min         2.346
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker Venture Photon 2'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12755
_reflns_number_total             15567
_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_cell_refinement       'SAINT V8.40B (Bruker AXS)'
_computing_data_collection       'APEX 3 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.902
_refine_diff_density_min         -1.462
_refine_diff_density_rms         0.175
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         15567
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0308
_refine_ls_restrained_S_all      1.050
_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)+(0.0245P)²+4.8496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0643
_refine_ls_wR_factor_ref         0.0689
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C7B(H7B)
2.b Secondary CH2 refined with riding coordinates:
 C8B(H8Ba,H8Bb), C6B(H6Ba,H6Bb)
2.c Aromatic/amide H refined with riding coordinates:
 C2B(H2B), C9B(H9B), C5B(H5B), C3B(H3B), C12B(H12B), C11B(H11B), C1B(H1Ba),
 C13B(H13B)
2.d Idealised tetrahedral OH refined as rotating group:
 O1B(H1B)
;
_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
Pt1C Pt 0.51829(2) 0.58124(2) 0.43905(2) 0.02015(3) Uani 1 1 d . . . . .
Pt1B Pt 0.58439(2) 0.98445(2) 0.32048(2) 0.02087(3) Uani 1 1 d . . . . .
Pt1A Pt 0.50845(2) 0.48750(2) 0.09559(2) 0.02326(3) Uani 1 1 d . . . . .
O1B O 0.7673(4) 0.7786(3) 0.35911(17) 0.0353(7) Uani 1 1 d . . . . .
H1B H 0.759860 0.716254 0.366553 0.053 Uiso 1 1 calc R . . . .
O1C O 0.7146(4) 0.5468(3) 0.28286(17) 0.0344(7) Uani 1 1 d . . . . .
H1C H 0.738865 0.543416 0.239484 0.052 Uiso 1 1 calc R . . . .
N3A N 0.7148(4) 0.5240(3) 0.06607(18) 0.0277(7) Uani 1 1 d . . . . .
O1A O 0.7746(4) 0.6985(3) 0.20647(16) 0.0356(7) Uani 1 1 d . . . . .
H1A H 0.725528 0.731277 0.242674 0.053 Uiso 1 1 calc R . . . .
N1C N 0.3218(3) 0.6440(3) 0.44966(18) 0.0236(6) Uani 1 1 d . . . . .
N2C N 0.4224(4) 0.4968(3) 0.33699(18) 0.0260(7) Uani 1 1 d . . . . .
N4C N 0.6317(3) 0.6670(3) 0.53669(18) 0.0225(6) Uani 1 1 d . . . . .
N3C N 0.7070(4) 0.5094(3) 0.42132(18) 0.0230(6) Uani 1 1 d . . . . .
N4A N 0.5671(4) 0.3311(3) 0.05431(18) 0.0298(7) Uani 1 1 d . . . . .
N4B N 0.6829(4) 1.0720(3) 0.25832(19) 0.0254(6) Uani 1 1 d . . . . .
N3B N 0.7933(3) 1.0102(3) 0.36386(17) 0.0223(6) Uani 1 1 d . . . . .
N2B N 0.5011(4) 0.8965(3) 0.38526(19) 0.0259(6) Uani 1 1 d . . . . .
N1A N 0.2985(4) 0.4625(3) 0.12423(18) 0.0294(7) Uani 1 1 d . . . . .
N2A N 0.4665(4) 0.6472(3) 0.13732(18) 0.0258(7) Uani 1 1 d . . . . .
N1B N 0.3718(4) 0.9482(3) 0.27938(19) 0.0257(6) Uani 1 1 d . . . . .
C5A C 0.3346(5) 0.6610(4) 0.1603(2) 0.0341(9) Uani 1 1 d . . . . .
H5A H 0.304249 0.733896 0.180268 0.041 Uiso 1 1 calc R . . . .
C9C C 0.8045(4) 0.5444(3) 0.4771(2) 0.0265(8) Uani 1 1 d . . . . .
H9C H 0.896008 0.513776 0.474936 0.032 Uiso 1 1 calc R . . . .
C3A C 0.0885(5) 0.5381(5) 0.1709(3) 0.0425(12) Uani 1 1 d . . . . .
H3A H 0.020700 0.590545 0.191653 0.051 Uiso 1 1 calc R . . . .
C4C C 0.2293(4) 0.6001(3) 0.3852(2) 0.0270(8) Uani 1 1 d . . . . .
C2B C 0.1410(5) 0.9094(4) 0.2247(3) 0.0368(10) Uani 1 1 d . . . . .
H2B H 0.059348 0.906212 0.191653 0.044 Uiso 1 1 calc R . . . .
C5C C 0.2895(5) 0.5199(4) 0.3251(2) 0.0294(8) Uani 1 1 d . . . . .
H5C H 0.235457 0.484671 0.278432 0.035 Uiso 1 1 calc R . . . .
C9A C 0.7807(5) 0.4373(4) 0.0326(2) 0.0326(9) Uani 1 1 d . . . . .
H9A H 0.876755 0.445485 0.014273 0.039 Uiso 1 1 calc R . . . .
C10C C 0.7688(4) 0.6306(3) 0.5420(2) 0.0258(7) Uani 1 1 d . . . . .
C9B C 0.8896(4) 1.0648(3) 0.3334(2) 0.0266(8) Uani 1 1 d . . . . .
H9B H 0.991834 1.079662 0.349252 0.032 Uiso 1 1 calc R . . . .
C8B C 0.8387(5) 0.9726(3) 0.4259(2) 0.0281(8) Uani 1 1 d . . . . .
H8BA H 0.828247 1.032554 0.473828 0.034 Uiso 1 1 calc R . . . .
H8BB H 0.944894 0.961265 0.422337 0.034 Uiso 1 1 calc R . . . .
C4B C 0.2836(4) 0.8877(4) 0.3160(2) 0.0298(8) Uani 1 1 d . . . . .
C7B C 0.7490(4) 0.8644(3) 0.4268(2) 0.0248(7) Uani 1 1 d . . . . .
H7B H 0.794993 0.842764 0.467837 0.030 Uiso 1 1 calc R . . . .
C5B C 0.3598(5) 0.8605(4) 0.3731(2) 0.0284(8) Uani 1 1 d . . . . .
H5B H 0.310073 0.818185 0.401028 0.034 Uiso 1 1 calc R . . . .
C3C C 0.0959(4) 0.6460(4) 0.3967(3) 0.0316(9) Uani 1 1 d . . . . .
H3C H 0.013522 0.630520 0.361748 0.038 Uiso 1 1 calc R . . . .
C2C C 0.1082(4) 0.7200(4) 0.4707(3) 0.0319(9) Uani 1 1 d . . . . .
H2C H 0.034403 0.764149 0.495392 0.038 Uiso 1 1 calc R . . . .
C2A C 0.0618(5) 0.4220(5) 0.1506(3) 0.0455(13) Uani 1 1 d . . . . .
H2A H -0.028965 0.379797 0.154948 0.055 Uiso 1 1 calc R . . . .
C3B C 0.1397(5) 0.8637(4) 0.2831(3) 0.0342(9) Uani 1 1 d . . . . .
H3B H 0.056887 0.823929 0.297591 0.041 Uiso 1 1 calc R . . . .
C10A C 0.7041(5) 0.3290(4) 0.0243(2) 0.0333(9) Uani 1 1 d . . . . .
C4A C 0.2368(5) 0.5625(4) 0.1544(2) 0.0315(9) Uani 1 1 d . . . . .
C8A C 0.7820(5) 0.6381(4) 0.0737(2) 0.0317(9) Uani 1 1 d . . . . .
H8AA H 0.755014 0.656032 0.028210 0.038 Uiso 1 1 calc R . . . .
H8AB H 0.891382 0.640891 0.077320 0.038 Uiso 1 1 calc R . . . .
C1C C 0.2476(4) 0.7172(3) 0.5013(2) 0.0268(8) Uani 1 1 d . . . . .
H1CA H 0.284992 0.759911 0.550691 0.032 Uiso 1 1 calc R . . . .
C8C C 0.7340(5) 0.4219(3) 0.3525(2) 0.0293(8) Uani 1 1 d . . . . .
H8CA H 0.694122 0.347648 0.355835 0.035 Uiso 1 1 calc R . . . .
H8CB H 0.842362 0.422542 0.346910 0.035 Uiso 1 1 calc R . . . .
C12B C 0.7779(6) 1.1640(4) 0.1819(3) 0.0387(10) Uani 1 1 d . . . . .
H12B H 0.784308 1.198088 0.143690 0.046 Uiso 1 1 calc R . . . .
C10B C 0.8336(5) 1.1007(3) 0.2754(2) 0.0275(8) Uani 1 1 d . . . . .
C11B C 0.8940(5) 1.1583(4) 0.2285(2) 0.0350(9) Uani 1 1 d . . . . .
H11B H 0.994937 1.187755 0.228550 0.042 Uiso 1 1 calc R . . . .
C1A C 0.1906(5) 0.3782(4) 0.1229(2) 0.0369(10) Uani 1 1 d . . . . .
H1AA H 0.201826 0.300402 0.105524 0.044 Uiso 1 1 calc R . . . .
C11A C 0.7352(6) 0.2183(5) -0.0078(3) 0.0440(12) Uani 1 1 d . . . . .
H11A H 0.822121 0.193571 -0.032027 0.053 Uiso 1 1 calc R . . . .
C11C C 0.8426(5) 0.6948(4) 0.6101(3) 0.0335(9) Uani 1 1 d . . . . .
H11C H 0.938199 0.687575 0.627848 0.040 Uiso 1 1 calc R . . . .
C7C C 0.6622(5) 0.4380(3) 0.2837(2) 0.0271(8) Uani 1 1 d . . . . .
H7C H 0.699153 0.383027 0.238655 0.032 Uiso 1 1 calc R . . . .
C6B C 0.5868(5) 0.8750(4) 0.4442(2) 0.0293(8) Uani 1 1 d . . . . .
H6BA H 0.541202 0.804612 0.451485 0.035 Uiso 1 1 calc R . . . .
H6BB H 0.582002 0.937085 0.491708 0.035 Uiso 1 1 calc R . . . .
C6C C 0.4936(5) 0.4153(4) 0.2783(2) 0.0297(8) Uani 1 1 d . . . . .
H6CA H 0.456970 0.416154 0.228832 0.036 Uiso 1 1 calc R . . . .
H6CB H 0.463950 0.339048 0.281161 0.036 Uiso 1 1 calc R . . . .
C12C C 0.7473(5) 0.7716(4) 0.6467(3) 0.0344(9) Uani 1 1 d . . . . .
H12C H 0.765503 0.826545 0.694846 0.041 Uiso 1 1 calc R . . . .
C12A C 0.6108(6) 0.1528(4) 0.0036(3) 0.0430(12) Uani 1 1 d . . . . .
H12A H 0.596505 0.072876 -0.012286 0.052 Uiso 1 1 calc R . . . .
C1B C 0.2863(5) 0.9611(4) 0.2240(3) 0.0319(9) Uani 1 1 d . . . . .
H1BA H 0.319181 0.999061 0.190013 0.038 Uiso 1 1 calc R . . . .
C13C C 0.6206(4) 0.7530(4) 0.5998(2) 0.0283(8) Uani 1 1 d . . . . .
H13C H 0.538384 0.794956 0.610759 0.034 Uiso 1 1 calc R . . . .
C13B C 0.6489(5) 1.1101(4) 0.2016(2) 0.0315(9) Uani 1 1 d . . . . .
H13B H 0.552585 1.101704 0.178556 0.038 Uiso 1 1 calc R . . . .
C6A C 0.5706(5) 0.7438(4) 0.1386(3) 0.0338(9) Uani 1 1 d . . . . .
H6AA H 0.552424 0.808323 0.182507 0.041 Uiso 1 1 calc R . . . .
H6AB H 0.550086 0.763829 0.093150 0.041 Uiso 1 1 calc R . . . .
C13A C 0.5094(6) 0.2238(4) 0.0423(3) 0.0384(10) Uani 1 1 d . . . . .
H13A H 0.415625 0.200055 0.057539 0.046 Uiso 1 1 calc R . . . .
C7A C 0.7333(5) 0.7271(4) 0.1422(2) 0.0313(9) Uani 1 1 d . . . . .
H7A H 0.792746 0.800326 0.145907 0.038 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
Pt1C N1C 2.017(3) . ?
Pt1C N2C 2.009(3) . ?
Pt1C N4C 2.012(3) . ?
Pt1C N3C 2.009(3) . ?
Pt1B N4B 2.011(3) . ?
Pt1B N3B 2.004(3) . ?
Pt1B N2B 2.003(3) . ?
Pt1B N1B 2.017(3) . ?
Pt1A N3A 2.009(3) . ?
Pt1A N4A 2.014(4) . ?
Pt1A N1A 2.008(4) . ?
Pt1A N2A 2.000(3) . ?
O1B H1B 0.8400 . ?
O1B C7B 1.413(5) . ?
O1C H1C 0.8400 . ?
O1C C7C 1.410(5) . ?
N3A C9A 1.292(6) . ?
N3A C8A 1.464(6) . ?
O1A H1A 0.8400 . ?
O1A C7A 1.428(5) . ?
N1C C4C 1.388(5) . ?
N1C C1C 1.356(5) . ?
N2C C5C 1.304(5) . ?
N2C C6C 1.465(5) . ?
N4C C10C 1.386(5) . ?
N4C C13C 1.345(5) . ?
N3C C9C 1.294(5) . ?
N3C C8C 1.456(5) . ?
N4A C10A 1.373(6) . ?
N4A C13A 1.345(6) . ?
N4B C10B 1.382(5) . ?
N4B C13B 1.352(5) . ?
N3B C9B 1.306(5) . ?
N3B C8B 1.467(5) . ?
N2B C5B 1.304(5) . ?
N2B C6B 1.460(5) . ?
N1A C4A 1.393(6) . ?
N1A C1A 1.358(6) . ?
N2A C5A 1.290(5) . ?
N2A C6A 1.452(6) . ?
N1B C4B 1.386(5) . ?
N1B C1B 1.354(5) . ?
C5A H5A 0.9500 . ?
C5A C4A 1.420(7) . ?
C9C H9C 0.9500 . ?
C9C C10C 1.423(6) . ?
C3A H3A 0.9500 . ?
C3A C2A 1.384(8) . ?
C3A C4A 1.409(6) . ?
C4C C5C 1.420(6) . ?
C4C C3C 1.389(6) . ?
C2B H2B 0.9500 . ?
C2B C3B 1.399(7) . ?
C2B C1B 1.407(6) . ?
C5C H5C 0.9500 . ?
C9A H9A 0.9500 . ?
C9A C10A 1.425(7) . ?
C10C C11C 1.395(6) . ?
C9B H9B 0.9500 . ?
C9B C10B 1.419(6) . ?
C8B H8BA 0.9900 . ?
C8B H8BB 0.9900 . ?
C8B C7B 1.518(6) . ?
C4B C5B 1.423(6) . ?
C4B C3B 1.397(6) . ?
C7B H7B 1.0000 . ?
C7B C6B 1.523(6) . ?
C5B H5B 0.9500 . ?
C3C H3C 0.9500 . ?
C3C C2C 1.405(7) . ?
C2C H2C 0.9500 . ?
C2C C1C 1.392(6) . ?
C2A H2A 0.9500 . ?
C2A C1A 1.386(7) . ?
C3B H3B 0.9500 . ?
C10A C11A 1.398(7) . ?
C8A H8AA 0.9900 . ?
C8A H8AB 0.9900 . ?
C8A C7A 1.525(6) . ?
C1C H1CA 0.9500 . ?
C8C H8CA 0.9900 . ?
C8C H8CB 0.9900 . ?
C8C C7C 1.523(6) . ?
C12B H12B 0.9500 . ?
C12B C11B 1.385(6) . ?
C12B C13B 1.404(7) . ?
C10B C11B 1.397(6) . ?
C11B H11B 0.9500 . ?
C1A H1AA 0.9500 . ?
C11A H11A 0.9500 . ?
C11A C12A 1.387(8) . ?
C11C H11C 0.9500 . ?
C11C C12C 1.393(6) . ?
C7C H7C 1.0000 . ?
C7C C6C 1.521(6) . ?
C6B H6BA 0.9900 . ?
C6B H6BB 0.9900 . ?
C6C H6CA 0.9900 . ?
C6C H6CB 0.9900 . ?
C12C H12C 0.9500 . ?
C12C C13C 1.392(6) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.404(7) . ?
C1B H1BA 0.9500 . ?
C13C H13C 0.9500 . ?
C13B H13B 0.9500 . ?
C6A H6AA 0.9900 . ?
C6A H6AB 0.9900 . ?
C6A C7A 1.517(6) . ?
C13A H13A 0.9500 . ?
C7A H7A 1.0000 . ?

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
N2C Pt1C N1C 80.13(14) . . ?
N2C Pt1C N4C 174.81(13) . . ?
N4C Pt1C N1C 103.88(13) . . ?
N3C Pt1C N1C 175.57(13) . . ?
N3C Pt1C N2C 95.58(14) . . ?
N3C Pt1C N4C 80.47(13) . . ?
N4B Pt1B N1B 103.74(14) . . ?
N3B Pt1B N4B 80.19(13) . . ?
N3B Pt1B N1B 175.65(13) . . ?
N2B Pt1B N4B 175.79(13) . . ?
N2B Pt1B N3B 95.66(13) . . ?
N2B Pt1B N1B 80.38(14) . . ?
N3A Pt1A N4A 80.19(15) . . ?
N1A Pt1A N3A 175.50(15) . . ?
N1A Pt1A N4A 103.89(16) . . ?
N2A Pt1A N3A 95.70(15) . . ?
N2A Pt1A N4A 175.66(14) . . ?
N2A Pt1A N1A 80.27(15) . . ?
C7B O1B H1B 109.5 . . ?
C7C O1C H1C 109.5 . . ?
C9A N3A Pt1A 114.7(3) . . ?
C9A N3A C8A 121.3(4) . . ?
C8A N3A Pt1A 123.8(3) . . ?
C7A O1A H1A 109.5 . . ?
C4C N1C Pt1C 113.0(3) . . ?
C1C N1C Pt1C 139.8(3) . . ?
C1C N1C C4C 107.2(3) . . ?
C5C N2C Pt1C 115.4(3) . . ?
C5C N2C C6C 120.8(3) . . ?
C6C N2C Pt1C 123.8(3) . . ?
C10C N4C Pt1C 112.5(3) . . ?
C13C N4C Pt1C 140.5(3) . . ?
C13C N4C C10C 106.9(3) . . ?
C9C N3C Pt1C 115.0(3) . . ?
C9C N3C C8C 121.2(3) . . ?
C8C N3C Pt1C 123.9(3) . . ?
C10A N4A Pt1A 113.0(3) . . ?
C13A N4A Pt1A 139.4(3) . . ?
C13A N4A C10A 107.4(4) . . ?
C10B N4B Pt1B 113.0(3) . . ?
C13B N4B Pt1B 139.7(3) . . ?
C13B N4B C10B 107.3(3) . . ?
C9B N3B Pt1B 115.4(3) . . ?
C9B N3B C8B 120.9(3) . . ?
C8B N3B Pt1B 123.8(3) . . ?
C5B N2B Pt1B 115.3(3) . . ?
C5B N2B C6B 120.4(4) . . ?
C6B N2B Pt1B 124.3(3) . . ?
C4A N1A Pt1A 112.7(3) . . ?
C1A N1A Pt1A 141.0(3) . . ?
C1A N1A C4A 106.2(4) . . ?
C5A N2A Pt1A 115.6(3) . . ?
C5A N2A C6A 120.1(4) . . ?
C6A N2A Pt1A 124.1(3) . . ?
C4B N1B Pt1B 112.7(3) . . ?
C1B N1B Pt1B 139.5(3) . . ?
C1B N1B C4B 107.7(3) . . ?
N2A C5A H5A 121.5 . . ?
N2A C5A C4A 117.0(4) . . ?
C4A C5A H5A 121.5 . . ?
N3C C9C H9C 121.4 . . ?
N3C C9C C10C 117.2(3) . . ?
C10C C9C H9C 121.4 . . ?
C2A C3A H3A 127.0 . . ?
C2A C3A C4A 105.9(4) . . ?
C4A C3A H3A 127.0 . . ?
N1C C4C C5C 114.7(3) . . ?
N1C C4C C3C 109.9(4) . . ?
C3C C4C C5C 135.5(4) . . ?
C3B C2B H2B 126.5 . . ?
C3B C2B C1B 107.0(4) . . ?
C1B C2B H2B 126.5 . . ?
N2C C5C C4C 116.9(4) . . ?
N2C C5C H5C 121.6 . . ?
C4C C5C H5C 121.6 . . ?
N3A C9A H9A 121.2 . . ?
N3A C9A C10A 117.6(4) . . ?
C10A C9A H9A 121.2 . . ?
N4C C10C C9C 114.8(3) . . ?
N4C C10C C11C 109.6(4) . . ?
C11C C10C C9C 135.5(4) . . ?
N3B C9B H9B 121.7 . . ?
N3B C9B C10B 116.5(4) . . ?
C10B C9B H9B 121.7 . . ?
N3B C8B H8BA 108.9 . . ?
N3B C8B H8BB 108.9 . . ?
N3B C8B C7B 113.3(3) . . ?
H8BA C8B H8BB 107.7 . . ?
C7B C8B H8BA 108.9 . . ?
C7B C8B H8BB 108.9 . . ?
N1B C4B C5B 114.8(4) . . ?
N1B C4B C3B 109.1(4) . . ?
C3B C4B C5B 136.0(4) . . ?
O1B C7B C8B 108.6(3) . . ?
O1B C7B H7B 106.7 . . ?
O1B C7B C6B 113.2(3) . . ?
C8B C7B H7B 106.7 . . ?
C8B C7B C6B 114.5(3) . . ?
C6B C7B H7B 106.7 . . ?
N2B C5B C4B 116.8(4) . . ?
N2B C5B H5B 121.6 . . ?
C4B C5B H5B 121.6 . . ?
C4C C3C H3C 127.1 . . ?
C4C C3C C2C 105.7(4) . . ?
C2C C3C H3C 127.1 . . ?
C3C C2C H2C 126.1 . . ?
C1C C2C C3C 107.9(4) . . ?
C1C C2C H2C 126.1 . . ?
C3A C2A H2A 126.0 . . ?
C3A C2A C1A 108.0(4) . . ?
C1A C2A H2A 126.0 . . ?
C2B C3B H3B 126.6 . . ?
C4B C3B C2B 106.7(4) . . ?
C4B C3B H3B 126.6 . . ?
N4A C10A C9A 114.3(4) . . ?
N4A C10A C11A 110.7(4) . . ?
C11A C10A C9A 135.0(5) . . ?
N1A C4A C5A 114.4(4) . . ?
N1A C4A C3A 109.5(4) . . ?
C3A C4A C5A 136.2(5) . . ?
N3A C8A H8AA 109.0 . . ?
N3A C8A H8AB 109.0 . . ?
N3A C8A C7A 113.1(3) . . ?
H8AA C8A H8AB 107.8 . . ?
C7A C8A H8AA 109.0 . . ?
C7A C8A H8AB 109.0 . . ?
N1C C1C C2C 109.3(4) . . ?
N1C C1C H1CA 125.3 . . ?
C2C C1C H1CA 125.3 . . ?
N3C C8C H8CA 109.2 . . ?
N3C C8C H8CB 109.2 . . ?
N3C C8C C7C 112.1(3) . . ?
H8CA C8C H8CB 107.9 . . ?
C7C C8C H8CA 109.2 . . ?
C7C C8C H8CB 109.2 . . ?
C11B C12B H12B 126.4 . . ?
C11B C12B C13B 107.3(4) . . ?
C13B C12B H12B 126.4 . . ?
N4B C10B C9B 114.9(4) . . ?
N4B C10B C11B 109.4(4) . . ?
C11B C10B C9B 135.7(4) . . ?
C12B C11B C10B 106.6(4) . . ?
C12B C11B H11B 126.7 . . ?
C10B C11B H11B 126.7 . . ?
N1A C1A C2A 110.3(5) . . ?
N1A C1A H1AA 124.8 . . ?
C2A C1A H1AA 124.8 . . ?
C10A C11A H11A 127.7 . . ?
C12A C11A C10A 104.5(5) . . ?
C12A C11A H11A 127.7 . . ?
C10C C11C H11C 127.0 . . ?
C12C C11C C10C 106.0(4) . . ?
C12C C11C H11C 127.0 . . ?
O1C C7C C8C 107.9(3) . . ?
O1C C7C H7C 107.3 . . ?
O1C C7C C6C 112.7(3) . . ?
C8C C7C H7C 107.3 . . ?
C6C C7C C8C 114.0(3) . . ?
C6C C7C H7C 107.3 . . ?
N2B C6B C7B 113.0(3) . . ?
N2B C6B H6BA 109.0 . . ?
N2B C6B H6BB 109.0 . . ?
C7B C6B H6BA 109.0 . . ?
C7B C6B H6BB 109.0 . . ?
H6BA C6B H6BB 107.8 . . ?
N2C C6C C7C 113.6(3) . . ?
N2C C6C H6CA 108.8 . . ?
N2C C6C H6CB 108.8 . . ?
C7C C6C H6CA 108.8 . . ?
C7C C6C H6CB 108.8 . . ?
H6CA C6C H6CB 107.7 . . ?
C11C C12C H12C 126.3 . . ?
C13C C12C C11C 107.5(4) . . ?
C13C C12C H12C 126.3 . . ?
C11A C12A H12A 125.6 . . ?
C11A C12A C13A 108.8(5) . . ?
C13A C12A H12A 125.6 . . ?
N1B C1B C2B 109.4(4) . . ?
N1B C1B H1BA 125.3 . . ?
C2B C1B H1BA 125.3 . . ?
N4C C13C C12C 110.1(4) . . ?
N4C C13C H13C 125.0 . . ?
C12C C13C H13C 125.0 . . ?
N4B C13B C12B 109.5(4) . . ?
N4B C13B H13B 125.3 . . ?
C12B C13B H13B 125.3 . . ?
N2A C6A H6AA 108.5 . . ?
N2A C6A H6AB 108.5 . . ?
N2A C6A C7A 115.2(4) . . ?
H6AA C6A H6AB 107.5 . . ?
C7A C6A H6AA 108.5 . . ?
C7A C6A H6AB 108.5 . . ?
N4A C13A C12A 108.6(5) . . ?
N4A C13A H13A 125.7 . . ?
C12A C13A H13A 125.7 . . ?
O1A C7A C8A 107.2(4) . . ?
O1A C7A C6A 112.9(4) . . ?
O1A C7A H7A 107.3 . . ?
C8A C7A H7A 107.3 . . ?
C6A C7A C8A 114.5(4) . . ?
C6A C7A H7A 107.3 . . ?

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
Pt1C N1C C4C C5C 0.4(4) . . . . ?
Pt1C N1C C4C C3C 179.4(3) . . . . ?
Pt1C N1C C1C C2C -179.0(3) . . . . ?
Pt1C N2C C5C C4C -0.5(5) . . . . ?
Pt1C N2C C6C C7C -28.0(5) . . . . ?
Pt1C N4C C10C C9C 2.5(4) . . . . ?
Pt1C N4C C10C C11C 178.8(3) . . . . ?
Pt1C N4C C13C C12C -178.5(3) . . . . ?
Pt1C N3C C9C C10C -2.1(5) . . . . ?
Pt1C N3C C8C C7C 34.7(5) . . . . ?
Pt1B N4B C10B C9B -0.7(5) . . . . ?
Pt1B N4B C10B C11B 178.4(3) . . . . ?
Pt1B N4B C13B C12B -177.4(3) . . . . ?
Pt1B N3B C9B C10B 1.5(5) . . . . ?
Pt1B N3B C8B C7B 32.2(5) . . . . ?
Pt1B N2B C5B C4B 0.1(5) . . . . ?
Pt1B N2B C6B C7B -32.2(5) . . . . ?
Pt1B N1B C4B C5B -1.8(5) . . . . ?
Pt1B N1B C4B C3B -178.5(3) . . . . ?
Pt1B N1B C1B C2B 177.3(3) . . . . ?
Pt1A N3A C9A C10A -3.0(5) . . . . ?
Pt1A N3A C8A C7A 34.3(5) . . . . ?
Pt1A N4A C10A C9A 3.9(4) . . . . ?
Pt1A N4A C10A C11A -176.2(3) . . . . ?
Pt1A N4A C13A C12A 174.2(3) . . . . ?
Pt1A N1A C4A C5A -1.2(4) . . . . ?
Pt1A N1A C4A C3A 178.1(3) . . . . ?
Pt1A N1A C1A C2A -177.5(3) . . . . ?
Pt1A N2A C5A C4A 1.0(5) . . . . ?
Pt1A N2A C6A C7A -28.3(5) . . . . ?
O1B C7B C6B N2B -57.8(5) . . . . ?
O1C C7C C6C N2C -56.4(4) . . . . ?
N3A C9A C10A N4A -0.6(6) . . . . ?
N3A C9A C10A C11A 179.4(5) . . . . ?
N3A C8A C7A O1A 58.9(5) . . . . ?
N3A C8A C7A C6A -67.1(5) . . . . ?
N1C C4C C5C N2C 0.1(6) . . . . ?
N1C C4C C3C C2C -0.1(5) . . . . ?
N4C C10C C11C C12C 0.1(5) . . . . ?
N3C C9C C10C N4C -0.3(5) . . . . ?
N3C C9C C10C C11C -175.3(5) . . . . ?
N3C C8C C7C O1C 55.5(4) . . . . ?
N3C C8C C7C C6C -70.5(5) . . . . ?
N4A C10A C11A C12A 0.3(5) . . . . ?
N4B C10B C11B C12B -0.3(5) . . . . ?
N3B C9B C10B N4B -0.5(6) . . . . ?
N3B C9B C10B C11B -179.2(5) . . . . ?
N3B C8B C7B O1B 60.0(4) . . . . ?
N3B C8B C7B C6B -67.6(4) . . . . ?
N2A C5A C4A N1A 0.2(5) . . . . ?
N2A C5A C4A C3A -179.0(5) . . . . ?
N2A C6A C7A O1A -58.7(5) . . . . ?
N2A C6A C7A C8A 64.4(5) . . . . ?
N1B C4B C5B N2B 1.1(6) . . . . ?
N1B C4B C3B C2B 0.7(5) . . . . ?
C5A N2A C6A C7A 155.6(4) . . . . ?
C9C N3C C8C C7C -147.3(4) . . . . ?
C9C C10C C11C C12C 175.3(5) . . . . ?
C3A C2A C1A N1A -0.5(5) . . . . ?
C4C N1C C1C C2C 0.4(4) . . . . ?
C4C C3C C2C C1C 0.3(5) . . . . ?
C5C N2C C6C C7C 151.4(4) . . . . ?
C5C C4C C3C C2C 178.6(5) . . . . ?
C9A N3A C8A C7A -152.5(4) . . . . ?
C9A C10A C11A C12A -179.7(5) . . . . ?
C10C N4C C13C C12C -1.2(5) . . . . ?
C10C C11C C12C C13C -0.8(5) . . . . ?
C9B N3B C8B C7B -148.4(4) . . . . ?
C9B C10B C11B C12B 178.5(5) . . . . ?
C8B N3B C9B C10B -178.0(4) . . . . ?
C8B C7B C6B N2B 67.5(4) . . . . ?
C4B N1B C1B C2B 0.4(5) . . . . ?
C5B N2B C6B C7B 149.8(4) . . . . ?
C5B C4B C3B C2B -175.1(5) . . . . ?
C3C C4C C5C N2C -178.6(5) . . . . ?
C3C C2C C1C N1C -0.5(5) . . . . ?
C2A C3A C4A N1A 0.3(5) . . . . ?
C2A C3A C4A C5A 179.5(5) . . . . ?
C3B C2B C1B N1B 0.1(5) . . . . ?
C3B C4B C5B N2B 176.7(5) . . . . ?
C10A N4A C13A C12A -0.5(5) . . . . ?
C10A C11A C12A C13A -0.6(5) . . . . ?
C4A N1A C1A C2A 0.7(5) . . . . ?
C4A C3A C2A C1A 0.1(5) . . . . ?
C8A N3A C9A C10A -176.9(4) . . . . ?
C1C N1C C4C C5C -179.2(4) . . . . ?
C1C N1C C4C C3C -0.2(5) . . . . ?
C8C N3C C9C C10C 179.7(4) . . . . ?
C8C C7C C6C N2C 67.0(4) . . . . ?
C10B N4B C13B C12B -0.2(5) . . . . ?
C11B C12B C13B N4B 0.0(6) . . . . ?
C1A N1A C4A C5A 180.0(4) . . . . ?
C1A N1A C4A C3A -0.7(5) . . . . ?
C11A C12A C13A N4A 0.7(6) . . . . ?
C11C C12C C13C N4C 1.3(5) . . . . ?
C6B N2B C5B C4B 178.3(4) . . . . ?
C6C N2C C5C C4C -179.9(4) . . . . ?
C1B N1B C4B C5B 176.1(4) . . . . ?
C1B N1B C4B C3B -0.7(5) . . . . ?
C1B C2B C3B C4B -0.4(5) . . . . ?
C13C N4C C10C C9C -175.7(4) . . . . ?
C13C N4C C10C C11C 0.7(5) . . . . ?
C13B N4B C10B C9B -178.8(4) . . . . ?
C13B N4B C10B C11B 0.3(5) . . . . ?
C13B C12B C11B C10B 0.2(6) . . . . ?
C6A N2A C5A C4A 177.4(4) . . . . ?
C13A N4A C10A C9A -179.8(4) . . . . ?
C13A N4A C10A C11A 0.1(5) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 96 electrons were 
found in a volume of 175Å³ in 1 void per unit cell. 
This is consistent with the presence of 
4.5[H2O] per Asymmetric Unit 
which account for 90 electrons 
per unit cell.
;
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 0.000 0.000 0.000 174.6 96.3 '9 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_exptl_crystal_mounting_method 
'mounted in Paratone oil with a Hampton nylon loop'
_olex2_submission_special_instructions 'No special instructions were received'
