# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2285471'
loop_
_audit_author_name
_audit_author_address
'Igor Koshevoy'
;University of Eastern Finland
Finland
;
_audit_update_record             
;
2023-07-30 deposited with the CCDC.	2024-01-24 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT977_1                   
;
PROBLEM: Check Negative Difference Density on H22A      .      -2.15 eA-3
RESPONSE: It is likely caused by inadequate absorption correction due to  moderate crystal quality, and the disorder of the entire molecular cation.
;
# Added during the CSD deposition process: Sunday 30 July 2023 05:52 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C66 H44 N10 Pt4, 2(C32 H12 B F24)'
_chemical_formula_sum            'C130 H68 B2 F48 N10 Pt4'
_chemical_formula_weight         3483.92

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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   37.877(4)
_cell_length_b                   19.7175(19)
_cell_length_c                   16.623(2)
_cell_angle_alpha                90
_cell_angle_beta                 102.157(11)
_cell_angle_gamma                90
_cell_volume                     12136(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9986
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      27.53

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.907
_exptl_crystal_F_000             6688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.252
_exptl_crystal_size_min          0.136
_exptl_absorpt_coefficient_mu    4.727
_shelx_estimated_absorpt_T_min   0.322
_shelx_estimated_absorpt_T_max   0.566
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.322
_exptl_absorpt_correction_T_max  0.566
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_reflns_number            83879
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.119
_diffrn_reflns_theta_max         28.929
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             15218
_reflns_number_gt                12425
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-2018 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond v.4.03 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2018 (Sheldrick, 2018)'

_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)+304.5408P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15218
_refine_ls_number_parameters     974
_refine_ls_number_restraints     213
_refine_ls_R_factor_all          0.0897
_refine_ls_R_factor_gt           0.0719
_refine_ls_wR_factor_ref         0.1514
_refine_ls_wR_factor_gt          0.1455
_refine_ls_goodness_of_fit_ref   1.284
_refine_ls_restrained_S_all      1.292
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
C101 C 0.8052(2) 0.4975(4) 0.5266(5) 0.0298(16) Uani 1 1 d . . . . .
C102 C 0.7675(2) 0.4990(4) 0.5074(5) 0.0328(17) Uani 1 1 d . . . . .
H102 H 0.755681 0.541329 0.494603 0.039 Uiso 1 1 calc R U . . .
C103 C 0.7465(2) 0.4414(5) 0.5063(5) 0.0375(18) Uani 1 1 d . . . . .
C104 C 0.7623(3) 0.3784(4) 0.5249(5) 0.039(2) Uani 1 1 d . . . . .
H104 H 0.747965 0.338894 0.525188 0.047 Uiso 1 1 calc R U . . .
C105 C 0.8001(3) 0.3748(4) 0.5433(5) 0.039(2) Uani 1 1 d . . . . .
C106 C 0.8206(2) 0.4330(4) 0.5436(5) 0.0331(17) Uani 1 1 d . . . . .
H106 H 0.846198 0.428996 0.555896 0.040 Uiso 1 1 calc R U . . .
C107 C 0.7066(3) 0.4483(5) 0.4847(7) 0.059(3) Uani 1 1 d D . . . .
C108 C 0.8189(3) 0.3080(5) 0.5622(8) 0.063(3) Uani 1 1 d . . . . .
C109 C 0.8104(2) 0.6297(4) 0.4803(5) 0.0308(16) Uani 1 1 d . . . . .
C110 C 0.8140(2) 0.6966(4) 0.5089(5) 0.0309(16) Uani 1 1 d . . . . .
H110 H 0.827770 0.704891 0.562713 0.037 Uiso 1 1 calc R U . . .
C111 C 0.7984(2) 0.7515(4) 0.4617(5) 0.0338(17) Uani 1 1 d D . . . .
C112 C 0.7776(2) 0.7413(5) 0.3831(5) 0.038(2) Uani 1 1 d . . . . .
H112 H 0.766376 0.778368 0.351129 0.046 Uiso 1 1 calc R U . . .
C113 C 0.7737(2) 0.6757(4) 0.3528(5) 0.0352(18) Uani 1 1 d D . . . .
C114 C 0.7896(2) 0.6210(4) 0.4002(5) 0.0326(17) Uani 1 1 d . . . . .
H114 H 0.786310 0.576591 0.377717 0.039 Uiso 1 1 calc R U . . .
C115 C 0.8043(2) 0.8215(4) 0.4952(5) 0.041(2) Uani 1 1 d D . . . .
C116 C 0.7516(3) 0.6649(5) 0.2679(6) 0.054(3) Uani 1 1 d D . . . .
C117 C 0.8365(3) 0.5895(4) 0.6326(5) 0.039(2) Uani 1 1 d . . . . .
C118 C 0.8687(3) 0.6194(4) 0.6767(6) 0.056(3) Uani 1 1 d . . . . .
H118 H 0.888063 0.623313 0.648885 0.067 Uiso 1 1 calc R U . . .
C119 C 0.8745(4) 0.6427(6) 0.7542(7) 0.078(4) Uani 1 1 d D . . . .
C120 C 0.8448(6) 0.6381(6) 0.7935(8) 0.104(7) Uani 1 1 d . . . . .
H120 H 0.847535 0.653800 0.848468 0.125 Uiso 1 1 calc R U . . .
C121 C 0.8121(3) 0.6113(5) 0.7540(6) 0.067(4) Uani 1 1 d D . . . .
C122 C 0.8083(3) 0.5851(5) 0.6732(5) 0.047(2) Uani 1 1 d . . . . .
H122 H 0.786249 0.564427 0.646849 0.056 Uiso 1 1 calc R U . . .
C124 C 0.7793(3) 0.6054(5) 0.7912(6) 0.079(4) Uani 1 1 d D U . . .
C125 C 0.8680(2) 0.5470(4) 0.5066(5) 0.0364(18) Uani 1 1 d . . . . .
C126 C 0.8712(2) 0.5563(5) 0.4247(6) 0.042(2) Uani 1 1 d . . . . .
H126 H 0.852107 0.577882 0.387145 0.050 Uiso 1 1 calc R U . . .
C127 C 0.9019(3) 0.5346(5) 0.3969(6) 0.049(2) Uani 1 1 d D . . . .
C128 C 0.9305(3) 0.5058(5) 0.4494(9) 0.064(3) Uani 1 1 d . . . . .
H128 H 0.951455 0.492155 0.430654 0.076 Uiso 1 1 calc R U . . .
C129 C 0.9283(3) 0.4972(5) 0.5306(8) 0.058(3) Uani 1 1 d D . . . .
C130 C 0.8977(3) 0.5176(5) 0.5588(7) 0.047(2) Uani 1 1 d . . . . .
H130 H 0.897170 0.511248 0.615219 0.056 Uiso 1 1 calc R U . . .
C131 C 0.9034(3) 0.5468(5) 0.3090(7) 0.070(4) Uani 1 1 d D . . . .
C132 C 0.9590(3) 0.4660(6) 0.5918(8) 0.092(5) Uani 1 1 d D . . . .
B1 B 0.8309(3) 0.5661(5) 0.5361(6) 0.0312(18) Uani 1 1 d . . . . .
F1 F 0.6928(3) 0.4746(9) 0.5459(7) 0.102(7) Uani 0.644(19) 1 d D . P A 1
F2 F 0.6944(2) 0.4953(6) 0.4262(7) 0.071(4) Uani 0.644(19) 1 d D . P A 1
F3 F 0.6874(4) 0.3954(6) 0.4610(14) 0.143(13) Uani 0.644(19) 1 d D . P A 1
F1A F 0.6927(5) 0.3965(12) 0.5257(11) 0.061(7) Uani 0.356(19) 1 d D . P A 2
F2A F 0.6963(5) 0.4177(15) 0.4063(10) 0.088(11) Uani 0.356(19) 1 d D . P A 2
F3A F 0.6927(9) 0.4964(11) 0.487(2) 0.117(12) Uani 0.356(19) 1 d D U P A 2
F4 F 0.7970(2) 0.2569(3) 0.5647(7) 0.110(3) Uani 1 1 d . . . . .
F5 F 0.8394(3) 0.3075(4) 0.6380(6) 0.124(4) Uani 1 1 d . . . . .
F6 F 0.8402(3) 0.2932(4) 0.5143(6) 0.117(4) Uani 1 1 d . . . . .
F7 F 0.8393(3) 0.8349(15) 0.519(2) 0.069(7) Uani 0.57(7) 1 d D . P B 1
F8 F 0.7895(9) 0.8345(14) 0.5576(18) 0.064(7) Uani 0.57(7) 1 d D . P B 1
F9 F 0.7919(12) 0.8695(9) 0.4390(12) 0.085(10) Uani 0.57(7) 1 d D . P B 1
F9A F 0.7767(8) 0.8603(18) 0.468(3) 0.092(14) Uani 0.43(7) 1 d D . P B 2
F8A F 0.8054(16) 0.8207(13) 0.5810(19) 0.071(9) Uani 0.43(7) 1 d D . P B 2
F7A F 0.8337(8) 0.851(2) 0.491(2) 0.066(10) Uani 0.43(7) 1 d D . P B 2
F10 F 0.7199(2) 0.6943(5) 0.2557(5) 0.121(4) Uani 1 1 d D . . . .
F11 F 0.7660(3) 0.6916(6) 0.2124(4) 0.147(5) Uani 1 1 d D . . . .
F12 F 0.7448(3) 0.6035(4) 0.2481(5) 0.150(5) Uani 1 1 d D . . . .
F13 F 0.9403(3) 0.6361(9) 0.7814(10) 0.096(6) Uani 0.528(16) 1 d D . P C 1
F14 F 0.9177(5) 0.6780(10) 0.8748(7) 0.097(7) Uani 0.528(16) 1 d D . P C 1
F15 F 0.9181(4) 0.7343(7) 0.7669(10) 0.094(7) Uani 0.528(16) 1 d D . P C 1
C123 C 0.9116(4) 0.6718(8) 0.7923(9) 0.051(7) Uani 0.528(16) 1 d D U P C 1
F15A F 0.8906(4) 0.7387(6) 0.8292(9) 0.076(6) Uani 0.472(16) 1 d D . P C 2
F13A F 0.9251(4) 0.6716(8) 0.7811(12) 0.083(7) Uani 0.472(16) 1 d D . P C 2
F14A F 0.9062(6) 0.6436(10) 0.8886(10) 0.114(10) Uani 0.472(16) 1 d D . P C 2
C223 C 0.8987(5) 0.6762(8) 0.8202(9) 0.068(8) Uani 0.472(16) 1 d D U P C 2
F16 F 0.7771(3) 0.5473(4) 0.8290(6) 0.142(5) Uani 1 1 d D . . . .
F17 F 0.7776(4) 0.6523(5) 0.8472(6) 0.181(6) Uani 1 1 d D . . . .
F18 F 0.7481(2) 0.6115(6) 0.7391(5) 0.133(4) Uani 1 1 d D . . . .
F19 F 0.8724(2) 0.5397(5) 0.2568(5) 0.096(3) Uani 1 1 d D . . . .
F20 F 0.9153(4) 0.6065(4) 0.2982(5) 0.186(7) Uani 1 1 d D . . . .
F21 F 0.9246(2) 0.5034(5) 0.2812(6) 0.121(4) Uani 1 1 d D . . . .
F22 F 0.9759(3) 0.5103(6) 0.6479(7) 0.152(5) Uani 1 1 d D . . . .
F23 F 0.9846(2) 0.4399(5) 0.5562(7) 0.132(4) Uani 1 1 d D . . . .
F24 F 0.9488(2) 0.4153(4) 0.6346(6) 0.112(4) Uani 1 1 d D . . . .
Pt1 Pt 0.98107(4) 0.93195(9) 0.34412(11) 0.0239(3) Uani 0.488(4) 1 d . . P D 1
C1 C 1.0153(12) 0.999(3) 0.4167(17) 0.029(2) Uani 0.488(4) 1 d . . P D 1
N1 N 1.0374(10) 1.027(2) 0.452(4) 0.029(2) Uani 0.488(4) 1 d . . P D 1
C2 C 1.0031(3) 0.8478(4) 0.4040(6) 0.031(2) Uani 0.488(4) 1 d G . P D 1
C3 C 1.0295(3) 0.8441(5) 0.4759(6) 0.031(2) Uani 0.488(4) 1 d G . P D 1
H3 H 1.039109 0.884493 0.503086 0.037 Uiso 0.488(4) 1 calc R U P D 1
C4 C 1.0418(3) 0.7813(6) 0.5080(6) 0.051(5) Uani 0.488(4) 1 d G U P D 1
H4 H 1.059902 0.778752 0.557100 0.061 Uiso 0.488(4) 1 calc R U P D 1
C5 C 1.0278(4) 0.7222(5) 0.4681(8) 0.047(5) Uani 0.488(4) 1 d G . P D 1
H5 H 1.036202 0.679246 0.490072 0.056 Uiso 0.488(4) 1 calc R U P D 1
C6 C 1.0013(4) 0.7259(4) 0.3962(7) 0.048(5) Uani 0.488(4) 1 d G . P D 1
H6 H 0.991708 0.685479 0.369030 0.058 Uiso 0.488(4) 1 calc R U P D 1
C7 C 0.9890(3) 0.7887(6) 0.3642(6) 0.031(2) Uani 0.488(4) 1 d G . P D 1
C8 C 0.9607(3) 0.7967(5) 0.2909(6) 0.0326(16) Uani 0.488(4) 1 d G . P D 1
C9 C 0.9417(3) 0.7479(4) 0.2387(7) 0.0326(16) Uani 0.488(4) 1 d G . P D 1
H9 H 0.946925 0.701191 0.248738 0.039 Uiso 0.488(4) 1 calc R U P D 1
C10 C 0.9150(3) 0.7675(5) 0.1719(6) 0.0326(16) Uani 0.488(4) 1 d G . P D 1
H10 H 0.901991 0.734163 0.136246 0.039 Uiso 0.488(4) 1 calc R U P D 1
C11 C 0.9073(3) 0.8359(6) 0.1572(6) 0.0326(16) Uani 0.488(4) 1 d G . P D 1
H11 H 0.889039 0.849269 0.111551 0.039 Uiso 0.488(4) 1 calc R U P D 1
C12 C 0.9263(3) 0.8847(4) 0.2094(7) 0.0326(16) Uani 0.488(4) 1 d G . P D 1
N2 N 0.9530(3) 0.8651(4) 0.2762(6) 0.0326(16) Uani 0.488(4) 1 d G U P D 1
C13 C 0.9223(3) 0.9538(4) 0.2031(7) 0.0334(17) Uani 0.488(4) 1 d G U P D 1
C14 C 0.8955(3) 0.9843(5) 0.1442(6) 0.0334(17) Uani 0.488(4) 1 d G . P D 1
H14 H 0.879125 0.957123 0.106333 0.040 Uiso 0.488(4) 1 calc R U P D 1
C15 C 0.8927(3) 1.0546(5) 0.1406(6) 0.0334(17) Uani 0.488(4) 1 d G U P D 1
H15 H 0.874352 1.075420 0.100359 0.040 Uiso 0.488(4) 1 calc R U P D 1
C16 C 0.9166(3) 1.0943(4) 0.1960(7) 0.0334(17) Uani 0.488(4) 1 d G . P D 1
H16 H 0.914652 1.142318 0.193594 0.040 Uiso 0.488(4) 1 calc R U P D 1
C17 C 0.9434(3) 1.0638(5) 0.2550(6) 0.042(4) Uani 0.488(4) 1 d G . P D 1
H17 H 0.959724 1.090921 0.292805 0.051 Uiso 0.488(4) 1 calc R U P D 1
N3 N 0.9462(3) 0.9935(5) 0.2585(6) 0.0334(17) Uani 0.488(4) 1 d G . P D 1
Pt2 Pt 0.92947(3) 0.91209(12) 0.47140(7) 0.0272(3) Uani 0.488(4) 1 d . . P D 1
C18 C 0.9503(5) 0.8222(6) 0.5229(10) 0.049(2) Uani 0.488(4) 1 d G . P D 1
C19 C 0.9792(4) 0.8127(6) 0.5890(9) 0.049(2) Uani 0.488(4) 1 d G . P D 1
H19 H 0.992684 0.850557 0.613914 0.059 Uiso 0.488(4) 1 calc R U P D 1
C20 C 0.9883(3) 0.7477(7) 0.6185(7) 0.049(2) Uani 0.488(4) 1 d G . P D 1
H20 H 1.008046 0.741125 0.663664 0.059 Uiso 0.488(4) 1 calc R U P D 1
C21 C 0.9685(4) 0.6922(5) 0.5820(9) 0.049(2) Uani 0.488(4) 1 d G . P D 1
H21 H 0.974778 0.647790 0.602230 0.059 Uiso 0.488(4) 1 calc R U P D 1
C22 C 0.9397(4) 0.7018(7) 0.5160(10) 0.049(2) Uani 0.488(4) 1 d G . P D 1
H22 H 0.926148 0.663886 0.491047 0.059 Uiso 0.488(4) 1 calc R U P D 1
C23 C 0.9305(4) 0.7668(8) 0.4864(9) 0.049(2) Uani 0.488(4) 1 d G . P D 1
C24 C 0.9006(3) 0.7814(7) 0.4192(7) 0.044(2) Uani 0.488(4) 1 d G . P D 1
C25 C 0.8780(3) 0.7355(5) 0.3698(8) 0.044(2) Uani 0.488(4) 1 d G . P D 1
H25 H 0.881006 0.688218 0.379709 0.053 Uiso 0.488(4) 1 calc R U P D 1
C26 C 0.8510(3) 0.7588(6) 0.3057(7) 0.044(2) Uani 0.488(4) 1 d G . P D 1
H26 H 0.835535 0.727431 0.271906 0.053 Uiso 0.488(4) 1 calc R U P D 1
C27 C 0.8466(3) 0.8280(7) 0.2911(7) 0.044(2) Uani 0.488(4) 1 d G . P D 1
H27 H 0.828101 0.843951 0.247381 0.053 Uiso 0.488(4) 1 calc R U P D 1
C28 C 0.8692(3) 0.8740(5) 0.3406(8) 0.044(2) Uani 0.488(4) 1 d G . P D 1
N4 N 0.8962(3) 0.8507(6) 0.4047(7) 0.044(2) Uani 0.488(4) 1 d G . P D 1
C29 C 0.8676(4) 0.9484(5) 0.3401(9) 0.045(2) Uani 0.488(4) 1 d G . P D 1
C30 C 0.8427(3) 0.9875(7) 0.2861(8) 0.045(2) Uani 0.488(4) 1 d G . P D 1
H30 H 0.824765 0.966102 0.245502 0.054 Uiso 0.488(4) 1 calc R U P D 1
C31 C 0.8441(3) 1.0578(7) 0.2915(8) 0.045(2) Uani 0.488(4) 1 d G . P D 1
H31 H 0.827126 1.084507 0.254555 0.054 Uiso 0.488(4) 1 calc R U P D 1
C32 C 0.8704(4) 1.0891(5) 0.3509(9) 0.045(2) Uani 0.488(4) 1 d G . P D 1
H32 H 0.871377 1.137124 0.354558 0.054 Uiso 0.488(4) 1 calc R U P D 1
C33 C 0.8953(3) 1.0500(7) 0.4049(8) 0.045(2) Uani 0.488(4) 1 d G . P D 1
H33 H 0.913267 1.071337 0.445509 0.054 Uiso 0.488(4) 1 calc R U P D 1
N5 N 0.8939(3) 0.9796(7) 0.3995(8) 0.045(2) Uani 0.488(4) 1 d G . P D 1
Pt2A Pt 0.97608(4) 0.94876(9) 0.32075(13) 0.0279(3) Uani 0.512(4) 1 d . . P D 2
Pt1A Pt 1.07539(4) 1.06010(12) 0.53367(7) 0.0316(3) Uani 0.512(4) 1 d . . P D 2
C1A C 1.0351(12) 1.018(2) 0.455(4) 0.029(2) Uani 0.512(4) 1 d . U P D 2
N1A N 1.0134(9) 0.992(2) 0.4035(14) 0.029(2) Uani 0.512(4) 1 d . . P D 2
C2A C 0.9024(6) 1.0274(12) 0.4174(14) 0.054(6) Uani 0.512(4) 1 d . . P D 2
C3A C 0.9113(6) 1.0934(9) 0.4389(13) 0.052(5) Uani 0.512(4) 1 d . . P D 2
H3A H 0.931732 1.100807 0.482145 0.063 Uiso 0.512(4) 1 calc R U P D 2
C4A C 0.8927(6) 1.1508(10) 0.4024(15) 0.059(6) Uani 0.512(4) 1 d . . P D 2
H4A H 0.900588 1.195292 0.419215 0.071 Uiso 0.512(4) 1 calc R U P D 2
C5A C 0.8621(7) 1.1399(10) 0.3400(16) 0.063(6) Uani 0.512(4) 1 d . . P D 2
H5A H 0.848160 1.176212 0.312167 0.076 Uiso 0.512(4) 1 calc R U P D 2
C6A C 0.8532(5) 1.0716(8) 0.3214(13) 0.037(4) Uani 0.512(4) 1 d . . P D 2
H6A H 0.831534 1.063225 0.281950 0.045 Uiso 0.512(4) 1 calc R U P D 2
C7A C 0.8721(5) 1.0173(9) 0.3533(11) 0.040(4) Uani 0.512(4) 1 d . . P D 2
C8A C 0.8626(3) 0.9455(4) 0.3323(7) 0.035(4) Uani 0.512(4) 1 d G . P D 2
C9A C 0.8353(3) 0.9196(6) 0.2707(6) 0.051(5) Uani 0.512(4) 1 d G . P D 2
H9A H 0.819620 0.949535 0.235143 0.061 Uiso 0.512(4) 1 calc R U P D 2
C10A C 0.8309(3) 0.8498(6) 0.2612(6) 0.048(5) Uani 0.512(4) 1 d G . P D 2
H10A H 0.812237 0.832147 0.219050 0.057 Uiso 0.512(4) 1 calc R U P D 2
C11A C 0.8538(3) 0.8060(4) 0.3132(8) 0.046(5) Uani 0.512(4) 1 d G . P D 2
H11A H 0.850788 0.758354 0.306688 0.055 Uiso 0.512(4) 1 calc R U P D 2
C12A C 0.8811(3) 0.8319(5) 0.3748(6) 0.039(4) Uani 0.512(4) 1 d G . P D 2
N2A N 0.8855(2) 0.9016(5) 0.3844(5) 0.035(3) Uani 0.512(4) 1 d G . P D 2
C13A C 0.9066(5) 0.7951(9) 0.4376(11) 0.033(4) Uani 0.512(4) 1 d . . P D 2
C14A C 0.9049(6) 0.7283(12) 0.4492(13) 0.055(5) Uani 0.512(4) 1 d . . P D 2
H14A H 0.887024 0.702049 0.414115 0.066 Uiso 0.512(4) 1 calc R U P D 2
C15A C 0.9298(7) 0.6965(10) 0.5139(16) 0.056(6) Uani 0.512(4) 1 d . . P D 2
H15A H 0.929478 0.648828 0.522080 0.067 Uiso 0.512(4) 1 calc R U P D 2
C16A C 0.9538(6) 0.7363(11) 0.5632(13) 0.051(5) Uani 0.512(4) 1 d . . P D 2
H16A H 0.970794 0.716962 0.607452 0.062 Uiso 0.512(4) 1 calc R U P D 2
C17A C 0.9539(5) 0.8072(10) 0.5493(12) 0.039(4) Uani 0.512(4) 1 d . . P D 2
H17A H 0.971357 0.834292 0.584542 0.047 Uiso 0.512(4) 1 calc R U P D 2
N3A N 0.9318(4) 0.8359(7) 0.4924(9) 0.037(3) Uani 0.512(4) 1 d . . P D 2
C18A C 0.9522(3) 1.0366(5) 0.2697(7) 0.0362(16) Uani 0.512(4) 1 d G . P D 2
C19A C 0.9616(3) 1.1027(5) 0.2942(6) 0.0362(16) Uani 0.512(4) 1 d G . P D 2
H19A H 0.981457 1.110914 0.338718 0.043 Uiso 0.512(4) 1 calc R U P D 2
C20A C 0.9421(3) 1.1568(4) 0.2536(6) 0.0362(16) Uani 0.512(4) 1 d G . P D 2
H20A H 0.948516 1.201995 0.270377 0.043 Uiso 0.512(4) 1 calc R U P D 2
C21A C 0.9131(3) 1.1448(4) 0.1885(6) 0.0362(16) Uani 0.512(4) 1 d G . P D 2
H21A H 0.899724 1.181751 0.160783 0.043 Uiso 0.512(4) 1 calc R U P D 2
C22A C 0.9037(3) 1.0786(5) 0.1640(6) 0.0362(16) Uani 0.512(4) 1 d G U P D 2
H22A H 0.883874 1.070426 0.119530 0.043 Uiso 0.512(4) 1 calc R U P D 2
C23A C 0.9232(3) 1.0245(4) 0.2046(7) 0.0362(16) Uani 0.512(4) 1 d G . P D 2
C24A C 0.9153(3) 0.9551(4) 0.1811(7) 0.034(4) Uani 0.512(4) 1 d G . P D 2
C25A C 0.8896(3) 0.9284(5) 0.1168(6) 0.040(4) Uani 0.512(4) 1 d G . P D 2
H25A H 0.874185 0.957814 0.079980 0.048 Uiso 0.512(4) 1 calc R U P D 2
C26A C 0.8864(3) 0.8585(5) 0.1064(6) 0.047(5) Uani 0.512(4) 1 d G . P D 2
H26A H 0.868854 0.840240 0.062408 0.056 Uiso 0.512(4) 1 calc R U P D 2
C27A C 0.9090(3) 0.8154(4) 0.1602(7) 0.038(4) Uani 0.512(4) 1 d G . P D 2
H27A H 0.906845 0.767695 0.153091 0.045 Uiso 0.512(4) 1 calc R U P D 2
C28A C 0.9347(3) 0.8422(4) 0.2245(6) 0.035(4) Uani 0.512(4) 1 d G . P D 2
N4A N 0.9379(2) 0.9120(5) 0.2350(5) 0.031(3) Uani 0.512(4) 1 d G . P D 2
N5A N 0.9846(3) 0.8452(4) 0.3419(7) 0.0399(17) Uani 0.512(4) 1 d G . P D 2
C29A C 0.9606(3) 0.8062(5) 0.2857(6) 0.0399(17) Uani 0.512(4) 1 d G . P D 2
C30A C 0.9617(3) 0.7359(5) 0.2914(7) 0.0399(17) Uani 0.512(4) 1 d G . P D 2
H30A H 0.945286 0.709260 0.252978 0.048 Uiso 0.512(4) 1 calc R U P D 2
C31A C 0.9867(3) 0.7046(4) 0.3534(8) 0.0399(17) Uani 0.512(4) 1 d G . P D 2
H31A H 0.987437 0.656506 0.357374 0.048 Uiso 0.512(4) 1 calc R U P D 2
C32A C 1.0107(3) 0.7436(5) 0.4097(7) 0.0399(17) Uani 0.512(4) 1 d G . P D 2
H32A H 1.027788 0.722145 0.452072 0.048 Uiso 0.512(4) 1 calc R U P D 2
C33A C 1.0096(3) 0.8139(5) 0.4039(6) 0.0399(17) Uani 0.512(4) 1 d G . P D 2
H33A H 1.025987 0.840539 0.442374 0.048 Uiso 0.512(4) 1 calc R U P D 2


_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
C101 C102 1.399(11) . ?
C101 C106 1.405(11) . ?
C101 B1 1.653(12) . ?
C102 C103 1.383(12) . ?
C103 C104 1.385(12) . ?
C103 C107 1.483(13) . ?
C104 C105 1.400(13) . ?
C105 C106 1.386(11) . ?
C105 C108 1.499(13) . ?
C107 F3A 1.09(2) . ?
C107 F3 1.285(11) . ?
C107 F1 1.344(11) . ?
C107 F2 1.353(11) . ?
C107 F1A 1.39(2) . ?
C107 F2A 1.41(2) . ?
C108 F6 1.281(15) . ?
C108 F4 1.312(13) . ?
C108 F5 1.333(14) . ?
C109 C110 1.398(11) . ?
C109 C114 1.408(11) . ?
C109 B1 1.653(12) . ?
C110 C111 1.394(11) . ?
C111 C112 1.391(12) . ?
C111 C115 1.487(10) . ?
C112 C113 1.386(12) . ?
C113 C114 1.395(11) . ?
C113 C116 1.495(10) . ?
C115 F7A 1.27(2) . ?
C115 F9A 1.30(2) . ?
C115 F8 1.302(11) . ?
C115 F7 1.329(13) . ?
C115 F9 1.343(11) . ?
C115 F8A 1.42(3) . ?
C116 F12 1.267(10) . ?
C116 F11 1.280(10) . ?
C116 F10 1.309(10) . ?
C117 C122 1.382(14) . ?
C117 C118 1.411(13) . ?
C117 B1 1.641(12) . ?
C118 C119 1.342(14) . ?
C119 C120 1.42(2) . ?
C119 C223 1.434(15) . ?
C119 C123 1.528(14) . ?
C120 C121 1.38(2) . ?
C121 C122 1.417(12) . ?
C121 C124 1.503(12) . ?
C124 F18 1.317(11) . ?
C124 F16 1.318(10) . ?
C124 F17 1.325(10) . ?
C125 C130 1.395(13) . ?
C125 C126 1.403(12) . ?
C125 B1 1.628(12) . ?
C126 C127 1.408(13) . ?
C127 C128 1.363(16) . ?
C127 C131 1.494(12) . ?
C128 C129 1.380(17) . ?
C129 C130 1.398(14) . ?
C129 C132 1.506(13) . ?
C131 F20 1.287(10) . ?
C131 F19 1.312(10) . ?
C131 F21 1.323(10) . ?
C132 F24 1.332(11) . ?
C132 F22 1.338(12) . ?
C132 F23 1.338(11) . ?
F13 C123 1.339(14) . ?
F14 C123 1.347(14) . ?
F15 C123 1.340(14) . ?
F15A C223 1.284(13) . ?
F13A C223 1.309(14) . ?
F14A C223 1.285(14) . ?
Pt1 N2 1.908(7) . ?
Pt1 C2 2.022(8) . ?
Pt1 C1 2.05(5) . ?
Pt1 N3 2.110(8) . ?
Pt1 Pt2 3.1925(18) . ?
C1 N1 1.07(4) . ?
N1 Pt2 1.99(6) 5_776 ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C6 C7 1.3900 . ?
C7 C8 1.452(11) . ?
C8 C9 1.3900 . ?
C8 N2 1.3900 . ?
C9 C10 1.3900 . ?
C10 C11 1.3900 . ?
C11 C12 1.3900 . ?
C12 C13 1.372(11) . ?
C12 N2 1.3900 . ?
C13 C14 1.3900 . ?
C13 N3 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 N3 1.3900 . ?
Pt2 N4 1.923(8) . ?
Pt2 C18 2.052(10) . ?
Pt2 N5 2.083(10) . ?
C18 C19 1.3900 . ?
C18 C23 1.3900 . ?
C19 C20 1.3900 . ?
C20 C21 1.3900 . ?
C21 C22 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.444(14) . ?
C24 C25 1.3900 . ?
C24 N4 1.3900 . ?
C25 C26 1.3900 . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
C28 N4 1.3900 . ?
C28 C29 1.469(15) . ?
C29 C30 1.3900 . ?
C29 N5 1.3900 . ?
C30 C31 1.3900 . ?
C31 C32 1.3900 . ?
C32 C33 1.3900 . ?
C33 N5 1.3900 . ?
Pt2A N4A 1.944(7) . ?
Pt2A N1A 1.95(3) . ?
Pt2A C18A 2.052(8) . ?
Pt2A N5A 2.085(8) . ?
Pt1A N2A 1.94(2) 5_776 ?
Pt1A C1A 1.97(7) . ?
Pt1A C2A 2.01(3) 5_776 ?
Pt1A N3A 2.102(14) 5_776 ?
C1A N1A 1.17(6) . ?
C2A C3A 1.37(3) . ?
C2A C7A 1.41(3) . ?
C3A C4A 1.40(3) . ?
C4A C5A 1.40(3) . ?
C5A C6A 1.41(3) . ?
C6A C7A 1.33(2) . ?
C7A C8A 1.48(2) . ?
C8A C9A 1.3900 . ?
C8A N2A 1.3900 . ?
C9A C10A 1.3900 . ?
C10A C11A 1.3900 . ?
C11A C12A 1.3900 . ?
C12A N2A 1.3900 . ?
C12A C13A 1.46(2) . ?
C13A C14A 1.33(3) . ?
C13A N3A 1.42(2) . ?
C14A C15A 1.42(3) . ?
C15A C16A 1.34(3) . ?
C16A C17A 1.42(3) . ?
C17A N3A 1.26(2) . ?
C18A C19A 1.3900 . ?
C18A C23A 1.3900 . ?
C19A C20A 1.3900 . ?
C20A C21A 1.3900 . ?
C21A C22A 1.3900 . ?
C22A C23A 1.3900 . ?
C23A C24A 1.438(10) . ?
C24A C25A 1.3900 . ?
C24A N4A 1.3900 . ?
C25A C26A 1.3900 . ?
C26A C27A 1.3900 . ?
C27A C28A 1.3900 . ?
C28A N4A 1.3900 . ?
C28A C29A 1.440(10) . ?
N5A C29A 1.3900 . ?
N5A C33A 1.3900 . ?
C29A C30A 1.3900 . ?
C30A C31A 1.3900 . ?
C31A C32A 1.3900 . ?
C32A C33A 1.3900 . ?

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
C102 C101 C106 115.2(7) . . ?
C102 C101 B1 123.9(7) . . ?
C106 C101 B1 120.7(7) . . ?
C103 C102 C101 122.9(8) . . ?
C102 C103 C104 120.9(8) . . ?
C102 C103 C107 118.7(8) . . ?
C104 C103 C107 120.4(8) . . ?
C103 C104 C105 117.9(8) . . ?
C106 C105 C104 120.4(8) . . ?
C106 C105 C108 118.9(9) . . ?
C104 C105 C108 120.7(8) . . ?
C105 C106 C101 122.7(8) . . ?
F3 C107 F1 105.0(11) . . ?
F3 C107 F2 104.4(10) . . ?
F1 C107 F2 98.6(9) . . ?
F3A C107 F1A 112.7(18) . . ?
F3A C107 F2A 111.0(17) . . ?
F1A C107 F2A 94.5(13) . . ?
F3A C107 C103 123(2) . . ?
F3 C107 C103 118.8(11) . . ?
F1 C107 C103 113.2(9) . . ?
F2 C107 C103 114.4(8) . . ?
F1A C107 C103 106.6(11) . . ?
F2A C107 C103 104.7(11) . . ?
F6 C108 F4 109.3(11) . . ?
F6 C108 F5 105.6(11) . . ?
F4 C108 F5 102.2(11) . . ?
F6 C108 C105 113.8(10) . . ?
F4 C108 C105 113.8(10) . . ?
F5 C108 C105 111.2(9) . . ?
C110 C109 C114 115.6(7) . . ?
C110 C109 B1 121.6(7) . . ?
C114 C109 B1 122.8(7) . . ?
C111 C110 C109 122.8(8) . . ?
C112 C111 C110 120.4(7) . . ?
C112 C111 C115 119.7(8) . . ?
C110 C111 C115 119.9(7) . . ?
C113 C112 C111 118.2(7) . . ?
C112 C113 C114 121.0(7) . . ?
C112 C113 C116 118.1(8) . . ?
C114 C113 C116 120.9(8) . . ?
C113 C114 C109 122.0(7) . . ?
F7A C115 F9A 111.3(17) . . ?
F8 C115 F7 106.7(12) . . ?
F8 C115 F9 105.7(10) . . ?
F7 C115 F9 104.4(11) . . ?
F7A C115 F8A 102.9(17) . . ?
F9A C115 F8A 102.0(14) . . ?
F7A C115 C111 117.6(16) . . ?
F9A C115 C111 111.9(14) . . ?
F8 C115 C111 115.2(11) . . ?
F7 C115 C111 111.0(14) . . ?
F9 C115 C111 113.0(11) . . ?
F8A C115 C111 109.7(12) . . ?
F12 C116 F11 107.4(9) . . ?
F12 C116 F10 104.6(9) . . ?
F11 C116 F10 102.8(9) . . ?
F12 C116 C113 115.1(8) . . ?
F11 C116 C113 112.6(8) . . ?
F10 C116 C113 113.4(8) . . ?
C122 C117 C118 116.4(9) . . ?
C122 C117 B1 120.4(8) . . ?
C118 C117 B1 123.1(9) . . ?
C119 C118 C117 126.2(13) . . ?
C118 C119 C120 115.8(12) . . ?
C118 C119 C223 147.4(15) . . ?
C120 C119 C223 96.8(12) . . ?
C118 C119 C123 118.5(13) . . ?
C120 C119 C123 125.7(11) . . ?
C121 C120 C119 121.7(11) . . ?
C120 C121 C122 119.5(12) . . ?
C120 C121 C124 124.8(11) . . ?
C122 C121 C124 115.7(10) . . ?
C117 C122 C121 120.4(10) . . ?
F18 C124 F16 104.7(10) . . ?
F18 C124 F17 103.2(10) . . ?
F16 C124 F17 104.7(9) . . ?
F18 C124 C121 115.3(8) . . ?
F16 C124 C121 113.9(9) . . ?
F17 C124 C121 113.8(10) . . ?
C130 C125 C126 115.9(9) . . ?
C130 C125 B1 122.9(8) . . ?
C126 C125 B1 121.2(8) . . ?
C125 C126 C127 121.6(9) . . ?
C128 C127 C126 121.2(10) . . ?
C128 C127 C131 120.4(10) . . ?
C126 C127 C131 118.4(10) . . ?
C127 C128 C129 118.3(10) . . ?
C128 C129 C130 121.2(10) . . ?
C128 C129 C132 120.9(10) . . ?
C130 C129 C132 117.9(10) . . ?
C125 C130 C129 121.8(10) . . ?
F20 C131 F19 107.3(10) . . ?
F20 C131 F21 106.6(9) . . ?
F19 C131 F21 103.0(8) . . ?
F20 C131 C127 111.8(9) . . ?
F19 C131 C127 114.7(9) . . ?
F21 C131 C127 112.8(10) . . ?
F24 C132 F22 105.5(11) . . ?
F24 C132 F23 105.4(9) . . ?
F22 C132 F23 106.0(10) . . ?
F24 C132 C129 113.4(10) . . ?
F22 C132 C129 113.1(10) . . ?
F23 C132 C129 112.7(11) . . ?
C125 B1 C117 114.7(7) . . ?
C125 B1 C101 108.1(6) . . ?
C117 B1 C101 106.0(7) . . ?
C125 B1 C109 109.9(7) . . ?
C117 B1 C109 106.5(6) . . ?
C101 B1 C109 111.7(7) . . ?
F13 C123 F15 103.5(12) . . ?
F13 C123 F14 102.5(12) . . ?
F15 C123 F14 103.6(12) . . ?
F13 C123 C119 116.7(12) . . ?
F15 C123 C119 115.3(11) . . ?
F14 C123 C119 113.5(12) . . ?
F15A C223 F14A 113.0(13) . . ?
F15A C223 F13A 110.4(14) . . ?
F14A C223 F13A 110.8(14) . . ?
F15A C223 C119 113.7(13) . . ?
F14A C223 C119 115.7(16) . . ?
F13A C223 C119 91.1(12) . . ?
N2 Pt1 C2 81.1(4) . . ?
N2 Pt1 C1 174.9(11) . . ?
C2 Pt1 C1 95.4(14) . . ?
N2 Pt1 N3 78.8(4) . . ?
C2 Pt1 N3 159.8(4) . . ?
C1 Pt1 N3 104.8(14) . . ?
N2 Pt1 Pt2 88.0(3) . . ?
C2 Pt1 Pt2 79.6(3) . . ?
C1 Pt1 Pt2 95.1(13) . . ?
N3 Pt1 Pt2 97.7(3) . . ?
N1 C1 Pt1 169(3) . . ?
C1 N1 Pt2 168(4) . 5_776 ?
C3 C2 C7 120.0 . . ?
C3 C2 Pt1 127.9(6) . . ?
C7 C2 Pt1 112.1(6) . . ?
C4 C3 C2 120.0 . . ?
C3 C4 C5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C5 C6 C7 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 C8 123.3(8) . . ?
C2 C7 C8 116.7(8) . . ?
C9 C8 N2 120.0 . . ?
C9 C8 C7 129.9(8) . . ?
N2 C8 C7 110.1(8) . . ?
C10 C9 C8 120.0 . . ?
C9 C10 C11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C13 C12 C11 127.2(9) . . ?
C13 C12 N2 112.8(9) . . ?
C11 C12 N2 120.0 . . ?
C12 N2 C8 120.0 . . ?
C12 N2 Pt1 120.1(6) . . ?
C8 N2 Pt1 119.7(6) . . ?
C12 C13 C14 122.4(9) . . ?
C12 C13 N3 117.6(9) . . ?
C14 C13 N3 120.0 . . ?
C13 C14 C15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C15 C16 C17 120.0 . . ?
N3 C17 C16 120.0 . . ?
C17 N3 C13 120.0 . . ?
C17 N3 Pt1 129.3(6) . . ?
C13 N3 Pt1 110.6(6) . . ?
N4 Pt2 N1 175.7(12) . 5_776 ?
N4 Pt2 C18 81.1(6) . . ?
N1 Pt2 C18 96.8(11) 5_776 . ?
N4 Pt2 N5 78.8(6) . . ?
N1 Pt2 N5 103.1(11) 5_776 . ?
C18 Pt2 N5 159.5(6) . . ?
N4 Pt2 Pt1 96.5(4) . . ?
N1 Pt2 Pt1 87.5(12) 5_776 . ?
C18 Pt2 Pt1 98.5(5) . . ?
N5 Pt2 Pt1 87.4(4) . . ?
C19 C18 C23 120.0 . . ?
C19 C18 Pt2 128.0(8) . . ?
C23 C18 Pt2 111.9(8) . . ?
C18 C19 C20 120.0 . . ?
C19 C20 C21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C21 C22 C23 120.0 . . ?
C22 C23 C18 120.0 . . ?
C22 C23 C24 123.7(12) . . ?
C18 C23 C24 116.3(12) . . ?
C25 C24 N4 120.0 . . ?
C25 C24 C23 127.8(11) . . ?
N4 C24 C23 112.2(11) . . ?
C26 C25 C24 120.0 . . ?
C27 C26 C25 120.0 . . ?
C26 C27 C28 120.0 . . ?
C27 C28 N4 120.0 . . ?
C27 C28 C29 129.0(10) . . ?
N4 C28 C29 110.9(10) . . ?
C28 N4 C24 120.0 . . ?
C28 N4 Pt2 121.4(7) . . ?
C24 N4 Pt2 118.5(7) . . ?
C30 C29 N5 120.0 . . ?
C30 C29 C28 125.3(11) . . ?
N5 C29 C28 114.7(11) . . ?
C29 C30 C31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C31 C32 C33 120.0 . . ?
C32 C33 N5 120.0 . . ?
C33 N5 C29 120.0 . . ?
C33 N5 Pt2 126.1(8) . . ?
C29 N5 Pt2 113.8(8) . . ?
N4A Pt2A N1A 175.9(13) . . ?
N4A Pt2A C18A 79.4(4) . . ?
N1A Pt2A C18A 96.5(13) . . ?
N4A Pt2A N5A 79.8(4) . . ?
N1A Pt2A N5A 104.3(13) . . ?
C18A Pt2A N5A 159.2(4) . . ?
N2A Pt1A C1A 177(2) 5_776 . ?
N2A Pt1A N3A 79(2) 5_776 5_776 ?
C1A Pt1A N3A 103.1(12) . 5_776 ?
C2A Pt1A N3A 160.7(8) 5_776 5_776 ?
N1A C1A Pt1A 174(5) . . ?
C1A N1A Pt2A 178(5) . . ?
C3A C2A C7A 117(2) . . ?
C2A C3A C4A 125(2) . . ?
C5A C4A C3A 117.3(18) . . ?
C4A C5A C6A 116(2) . . ?
C7A C6A C5A 127(2) . . ?
C6A C7A C2A 118.2(19) . . ?
C6A C7A C8A 126.0(17) . . ?
C2A C7A C8A 115.6(16) . . ?
C9A C8A N2A 120.0 . . ?
C9A C8A C7A 129.0(10) . . ?
N2A C8A C7A 111.0(10) . . ?
C10A C9A C8A 120.0 . . ?
C11A C10A C9A 120.0 . . ?
C12A C11A C10A 120.0 . . ?
N2A C12A C11A 120.0 . . ?
N2A C12A C13A 111.4(10) . . ?
C11A C12A C13A 128.5(10) . . ?
C12A N2A C8A 120.0 . . ?
C14A C13A N3A 120.8(17) . . ?
C14A C13A C12A 123.3(16) . . ?
N3A C13A C12A 115.5(14) . . ?
C13A C14A C15A 120.1(19) . . ?
C16A C15A C14A 117.4(19) . . ?
C15A C16A C17A 120(2) . . ?
N3A C17A C16A 122.8(18) . . ?
C17A N3A C13A 118.6(15) . . ?
C19A C18A C23A 120.0 . . ?
C19A C18A Pt2A 127.4(6) . . ?
C23A C18A Pt2A 112.6(6) . . ?
C20A C19A C18A 120.0 . . ?
C19A C20A C21A 120.0 . . ?
C22A C21A C20A 120.0 . . ?
C21A C22A C23A 120.0 . . ?
C22A C23A C18A 120.0 . . ?
C22A C23A C24A 122.7(8) . . ?
C18A C23A C24A 117.3(8) . . ?
C25A C24A N4A 120.0 . . ?
C25A C24A C23A 130.0(8) . . ?
N4A C24A C23A 110.0(8) . . ?
C26A C25A C24A 120.0 . . ?
C25A C26A C27A 120.0 . . ?
C26A C27A C28A 120.0 . . ?
N4A C28A C27A 120.0 . . ?
N4A C28A C29A 111.8(7) . . ?
C27A C28A C29A 128.2(7) . . ?
C28A N4A C24A 120.0 . . ?
C28A N4A Pt2A 119.5(5) . . ?
C24A N4A Pt2A 120.4(5) . . ?
C29A N5A C33A 120.0 . . ?
C29A N5A Pt2A 111.9(6) . . ?
C33A N5A Pt2A 128.1(6) . . ?
N5A C29A C30A 120.0 . . ?
N5A C29A C28A 116.9(8) . . ?
C30A C29A C28A 123.0(8) . . ?
C31A C30A C29A 120.0 . . ?
C30A C31A C32A 120.0 . . ?
C31A C32A C33A 120.0 . . ?
C32A C33A N5A 120.0 . . ?

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
C106 C101 C102 C103 0.9(12) . . . . ?
B1 C101 C102 C103 -174.7(8) . . . . ?
C101 C102 C103 C104 0.3(13) . . . . ?
C101 C102 C103 C107 -179.7(8) . . . . ?
C102 C103 C104 C105 -1.2(13) . . . . ?
C107 C103 C104 C105 178.8(8) . . . . ?
C103 C104 C105 C106 0.8(13) . . . . ?
C103 C104 C105 C108 -178.7(9) . . . . ?
C104 C105 C106 C101 0.5(13) . . . . ?
C108 C105 C106 C101 -180.0(9) . . . . ?
C102 C101 C106 C105 -1.3(12) . . . . ?
B1 C101 C106 C105 174.4(8) . . . . ?
C102 C103 C107 F3A -18(3) . . . . ?
C104 C103 C107 F3A 162(2) . . . . ?
C102 C103 C107 F3 160.6(14) . . . . ?
C104 C103 C107 F3 -19.4(17) . . . . ?
C102 C103 C107 F1 -75.5(13) . . . . ?
C104 C103 C107 F1 104.5(12) . . . . ?
C102 C103 C107 F2 36.4(14) . . . . ?
C104 C103 C107 F2 -143.6(10) . . . . ?
C102 C103 C107 F1A -150.8(12) . . . . ?
C104 C103 C107 F1A 29.2(15) . . . . ?
C102 C103 C107 F2A 109.8(15) . . . . ?
C104 C103 C107 F2A -70.2(15) . . . . ?
C106 C105 C108 F6 -57.5(14) . . . . ?
C104 C105 C108 F6 122.0(12) . . . . ?
C106 C105 C108 F4 176.4(10) . . . . ?
C104 C105 C108 F4 -4.1(16) . . . . ?
C106 C105 C108 F5 61.6(15) . . . . ?
C104 C105 C108 F5 -118.9(11) . . . . ?
C114 C109 C110 C111 -0.3(12) . . . . ?
B1 C109 C110 C111 177.0(8) . . . . ?
C109 C110 C111 C112 1.1(13) . . . . ?
C109 C110 C111 C115 -178.3(8) . . . . ?
C110 C111 C112 C113 -1.5(13) . . . . ?
C115 C111 C112 C113 177.9(8) . . . . ?
C111 C112 C113 C114 1.1(13) . . . . ?
C111 C112 C113 C116 -179.4(8) . . . . ?
C112 C113 C114 C109 -0.3(13) . . . . ?
C116 C113 C114 C109 -179.8(8) . . . . ?
C110 C109 C114 C113 -0.1(12) . . . . ?
B1 C109 C114 C113 -177.4(8) . . . . ?
C112 C111 C115 F7A -98(3) . . . . ?
C110 C111 C115 F7A 81(3) . . . . ?
C112 C111 C115 F9A 32(3) . . . . ?
C110 C111 C115 F9A -148(3) . . . . ?
C112 C111 C115 F8 113(2) . . . . ?
C110 C111 C115 F8 -67(2) . . . . ?
C112 C111 C115 F7 -125(2) . . . . ?
C110 C111 C115 F7 54(2) . . . . ?
C112 C111 C115 F9 -8(3) . . . . ?
C110 C111 C115 F9 171(2) . . . . ?
C112 C111 C115 F8A 145(3) . . . . ?
C110 C111 C115 F8A -36(3) . . . . ?
C112 C113 C116 F12 -170.6(10) . . . . ?
C114 C113 C116 F12 8.9(14) . . . . ?
C112 C113 C116 F11 66.0(12) . . . . ?
C114 C113 C116 F11 -114.5(11) . . . . ?
C112 C113 C116 F10 -50.2(12) . . . . ?
C114 C113 C116 F10 129.3(10) . . . . ?
C122 C117 C118 C119 1.1(14) . . . . ?
B1 C117 C118 C119 176.5(9) . . . . ?
C117 C118 C119 C120 -1.8(16) . . . . ?
C117 C118 C119 C223 -176.6(17) . . . . ?
C117 C118 C119 C123 178.4(10) . . . . ?
C118 C119 C120 C121 -0.2(17) . . . . ?
C223 C119 C120 C121 177.0(11) . . . . ?
C123 C119 C120 C121 179.6(11) . . . . ?
C119 C120 C121 C122 2.7(16) . . . . ?
C119 C120 C121 C124 -179.3(10) . . . . ?
C118 C117 C122 C121 1.6(12) . . . . ?
B1 C117 C122 C121 -174.0(8) . . . . ?
C120 C121 C122 C117 -3.4(14) . . . . ?
C124 C121 C122 C117 178.4(8) . . . . ?
C120 C121 C124 F18 147.7(11) . . . . ?
C122 C121 C124 F18 -34.3(12) . . . . ?
C120 C121 C124 F16 -91.2(13) . . . . ?
C122 C121 C124 F16 86.9(11) . . . . ?
C120 C121 C124 F17 28.8(14) . . . . ?
C122 C121 C124 F17 -153.2(9) . . . . ?
C130 C125 C126 C127 2.6(13) . . . . ?
B1 C125 C126 C127 -174.4(8) . . . . ?
C125 C126 C127 C128 -2.6(15) . . . . ?
C125 C126 C127 C131 -179.6(8) . . . . ?
C126 C127 C128 C129 1.4(16) . . . . ?
C131 C127 C128 C129 178.3(9) . . . . ?
C127 C128 C129 C130 -0.4(16) . . . . ?
C127 C128 C129 C132 -179.7(10) . . . . ?
C126 C125 C130 C129 -1.6(13) . . . . ?
B1 C125 C130 C129 175.3(9) . . . . ?
C128 C129 C130 C125 0.6(16) . . . . ?
C132 C129 C130 C125 179.9(9) . . . . ?
C128 C127 C131 F20 -92.0(13) . . . . ?
C126 C127 C131 F20 85.0(12) . . . . ?
C128 C127 C131 F19 145.7(10) . . . . ?
C126 C127 C131 F19 -37.3(13) . . . . ?
C128 C127 C131 F21 28.2(14) . . . . ?
C126 C127 C131 F21 -154.8(9) . . . . ?
C128 C129 C132 F24 -129.1(11) . . . . ?
C130 C129 C132 F24 51.6(14) . . . . ?
C128 C129 C132 F22 110.9(13) . . . . ?
C130 C129 C132 F22 -68.4(13) . . . . ?
C128 C129 C132 F23 -9.4(15) . . . . ?
C130 C129 C132 F23 171.3(10) . . . . ?
C130 C125 B1 C117 32.9(11) . . . . ?
C126 C125 B1 C117 -150.4(8) . . . . ?
C130 C125 B1 C101 -85.1(9) . . . . ?
C126 C125 B1 C101 91.6(9) . . . . ?
C130 C125 B1 C109 152.8(8) . . . . ?
C126 C125 B1 C109 -30.5(10) . . . . ?
C122 C117 B1 C125 -158.2(8) . . . . ?
C118 C117 B1 C125 26.6(11) . . . . ?
C122 C117 B1 C101 -39.0(10) . . . . ?
C118 C117 B1 C101 145.8(8) . . . . ?
C122 C117 B1 C109 80.1(9) . . . . ?
C118 C117 B1 C109 -95.1(9) . . . . ?
C102 C101 B1 C125 -148.0(8) . . . . ?
C106 C101 B1 C125 36.6(10) . . . . ?
C102 C101 B1 C117 88.5(9) . . . . ?
C106 C101 B1 C117 -86.9(9) . . . . ?
C102 C101 B1 C109 -27.1(11) . . . . ?
C106 C101 B1 C109 157.5(7) . . . . ?
C110 C109 B1 C125 -98.1(9) . . . . ?
C114 C109 B1 C125 79.1(10) . . . . ?
C110 C109 B1 C117 26.7(11) . . . . ?
C114 C109 B1 C117 -156.2(8) . . . . ?
C110 C109 B1 C101 142.0(8) . . . . ?
C114 C109 B1 C101 -40.9(11) . . . . ?
C118 C119 C123 F13 -45.4(17) . . . . ?
C120 C119 C123 F13 134.8(15) . . . . ?
C118 C119 C123 F15 76.4(15) . . . . ?
C120 C119 C123 F15 -103.3(16) . . . . ?
C118 C119 C123 F14 -164.3(13) . . . . ?
C120 C119 C123 F14 15.9(19) . . . . ?
C118 C119 C223 F15A 103(2) . . . . ?
C120 C119 C223 F15A -72.8(16) . . . . ?
C118 C119 C223 F14A -124(2) . . . . ?
C120 C119 C223 F14A 60.4(16) . . . . ?
C118 C119 C223 F13A -10(2) . . . . ?
C120 C119 C223 F13A 174.2(12) . . . . ?
Pt1 C1 N1 Pt2 -162(10) . . . 5_776 ?
C7 C2 C3 C4 0.0 . . . . ?
Pt1 C2 C3 C4 -179.1(9) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 C6 C7 C2 0.0 . . . . ?
C5 C6 C7 C8 -178.0(12) . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
Pt1 C2 C7 C6 179.3(8) . . . . ?
C3 C2 C7 C8 178.1(11) . . . . ?
Pt1 C2 C7 C8 -2.6(10) . . . . ?
C6 C7 C8 C9 -2.0(14) . . . . ?
C2 C7 C8 C9 179.9(7) . . . . ?
C6 C7 C8 N2 177.2(7) . . . . ?
C2 C7 C8 N2 -0.9(11) . . . . ?
N2 C8 C9 C10 0.0 . . . . ?
C7 C8 C9 C10 179.1(14) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C13 179.3(13) . . . . ?
C10 C11 C12 N2 0.0 . . . . ?
C13 C12 N2 C8 -179.4(11) . . . . ?
C11 C12 N2 C8 0.0 . . . . ?
C13 C12 N2 Pt1 -3.2(11) . . . . ?
C11 C12 N2 Pt1 176.3(8) . . . . ?
C9 C8 N2 C12 0.0 . . . . ?
C7 C8 N2 C12 -179.2(11) . . . . ?
C9 C8 N2 Pt1 -176.3(8) . . . . ?
C7 C8 N2 Pt1 4.5(10) . . . . ?
C11 C12 C13 C14 5.1(14) . . . . ?
N2 C12 C13 C14 -175.6(7) . . . . ?
C11 C12 C13 N3 -174.9(7) . . . . ?
N2 C12 C13 N3 4.4(12) . . . . ?
C12 C13 C14 C15 180.0(13) . . . . ?
N3 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C15 C16 C17 N3 0.0 . . . . ?
C16 C17 N3 C13 0.0 . . . . ?
C16 C17 N3 Pt1 -175.5(8) . . . . ?
C12 C13 N3 C17 180.0(12) . . . . ?
C14 C13 N3 C17 0.0 . . . . ?
C12 C13 N3 Pt1 -3.7(10) . . . . ?
C14 C13 N3 Pt1 176.3(7) . . . . ?
C23 C18 C19 C20 0.0 . . . . ?
Pt2 C18 C19 C20 176.4(14) . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C18 0.0 . . . . ?
C21 C22 C23 C24 -178.8(16) . . . . ?
C19 C18 C23 C22 0.0 . . . . ?
Pt2 C18 C23 C22 -177.0(11) . . . . ?
C19 C18 C23 C24 178.9(15) . . . . ?
Pt2 C18 C23 C24 1.9(13) . . . . ?
C22 C23 C24 C25 -5.0(19) . . . . ?
C18 C23 C24 C25 176.1(9) . . . . ?
C22 C23 C24 N4 176.8(9) . . . . ?
C18 C23 C24 N4 -2.0(14) . . . . ?
N4 C24 C25 C26 0.0 . . . . ?
C23 C24 C25 C26 -178.0(16) . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C26 C27 C28 N4 0.0 . . . . ?
C26 C27 C28 C29 -175.0(14) . . . . ?
C27 C28 N4 C24 0.0 . . . . ?
C29 C28 N4 C24 175.8(12) . . . . ?
C27 C28 N4 Pt2 177.1(9) . . . . ?
C29 C28 N4 Pt2 -7.1(12) . . . . ?
C25 C24 N4 C28 0.0 . . . . ?
C23 C24 N4 C28 178.3(14) . . . . ?
C25 C24 N4 Pt2 -177.2(8) . . . . ?
C23 C24 N4 Pt2 1.2(12) . . . . ?
C27 C28 C29 C30 -2.0(16) . . . . ?
N4 C28 C29 C30 -177.3(8) . . . . ?
C27 C28 C29 N5 178.4(8) . . . . ?
N4 C28 C29 N5 3.0(13) . . . . ?
N5 C29 C30 C31 0.0 . . . . ?
C28 C29 C30 C31 -179.7(15) . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C32 C33 N5 0.0 . . . . ?
C32 C33 N5 C29 0.0 . . . . ?
C32 C33 N5 Pt2 177.8(10) . . . . ?
C30 C29 N5 C33 0.0 . . . . ?
C28 C29 N5 C33 179.7(13) . . . . ?
C30 C29 N5 Pt2 -178.0(9) . . . . ?
C28 C29 N5 Pt2 1.7(11) . . . . ?
C7A C2A C3A C4A 0(3) . . . . ?
Pt1A C2A C3A C4A -177.0(18) 5_776 . . . ?
C2A C3A C4A C5A 2(4) . . . . ?
C3A C4A C5A C6A 0(3) . . . . ?
C4A C5A C6A C7A -4(3) . . . . ?
C5A C6A C7A C2A 6(3) . . . . ?
C5A C6A C7A C8A -179.3(18) . . . . ?
C3A C2A C7A C6A -4(3) . . . . ?
Pt1A C2A C7A C6A 174.0(14) 5_776 . . . ?
C3A C2A C7A C8A -178.8(16) . . . . ?
Pt1A C2A C7A C8A -1(2) 5_776 . . . ?
C6A C7A C8A C9A 8(2) . . . . ?
C2A C7A C8A C9A -177.4(12) . . . . ?
C6A C7A C8A N2A -172.3(16) . . . . ?
C2A C7A C8A N2A 2.5(18) . . . . ?
N2A C8A C9A C10A 0.0 . . . . ?
C7A C8A C9A C10A 179.9(14) . . . . ?
C8A C9A C10A C11A 0.0 . . . . ?
C9A C10A C11A C12A 0.0 . . . . ?
C10A C11A C12A N2A 0.0 . . . . ?
C10A C11A C12A C13A 176.9(13) . . . . ?
C11A C12A N2A C8A 0.0 . . . . ?
C13A C12A N2A C8A -177.4(11) . . . . ?
C11A C12A N2A Pt1A -177.1(8) . . . 5_776 ?
C13A C12A N2A Pt1A 5.5(12) . . . 5_776 ?
C9A C8A N2A C12A 0.0 . . . . ?
C7A C8A N2A C12A -179.9(12) . . . . ?
C9A C8A N2A Pt1A 177.2(7) . . . 5_776 ?
C7A C8A N2A Pt1A -2.7(10) . . . 5_776 ?
N2A C12A C13A C14A 170.5(16) . . . . ?
C11A C12A C13A C14A -7(2) . . . . ?
N2A C12A C13A N3A -3.2(17) . . . . ?
C11A C12A C13A N3A 179.7(10) . . . . ?
N3A C13A C14A C15A -4(3) . . . . ?
C12A C13A C14A C15A -177.2(17) . . . . ?
C13A C14A C15A C16A 2(3) . . . . ?
C14A C15A C16A C17A 0(3) . . . . ?
C15A C16A C17A N3A 1(3) . . . . ?
C16A C17A N3A C13A -3(3) . . . . ?
C16A C17A N3A Pt1A 175.1(14) . . . 5_776 ?
C14A C13A N3A C17A 4(3) . . . . ?
C12A C13A N3A C17A 178.1(15) . . . . ?
C14A C13A N3A Pt1A -173.9(15) . . . 5_776 ?
C12A C13A N3A Pt1A -0.1(18) . . . 5_776 ?
C23A C18A C19A C20A 0.0 . . . . ?
Pt2A C18A C19A C20A -178.7(10) . . . . ?
C18A C19A C20A C21A 0.0 . . . . ?
C19A C20A C21A C22A 0.0 . . . . ?
C20A C21A C22A C23A 0.0 . . . . ?
C21A C22A C23A C18A 0.0 . . . . ?
C21A C22A C23A C24A -178.6(12) . . . . ?
C19A C18A C23A C22A 0.0 . . . . ?
Pt2A C18A C23A C22A 178.9(8) . . . . ?
C19A C18A C23A C24A 178.7(11) . . . . ?
Pt2A C18A C23A C24A -2.4(9) . . . . ?
C22A C23A C24A C25A 2.3(15) . . . . ?
C18A C23A C24A C25A -176.4(7) . . . . ?
C22A C23A C24A N4A -176.9(7) . . . . ?
C18A C23A C24A N4A 4.5(10) . . . . ?
N4A C24A C25A C26A 0.0 . . . . ?
C23A C24A C25A C26A -179.1(13) . . . . ?
C24A C25A C26A C27A 0.0 . . . . ?
C25A C26A C27A C28A 0.0 . . . . ?
C26A C27A C28A N4A 0.0 . . . . ?
C26A C27A C28A C29A -179.3(12) . . . . ?
C27A C28A N4A C24A 0.0 . . . . ?
C29A C28A N4A C24A 179.4(10) . . . . ?
C27A C28A N4A Pt2A -176.0(7) . . . . ?
C29A C28A N4A Pt2A 3.4(11) . . . . ?
C25A C24A N4A C28A 0.0 . . . . ?
C23A C24A N4A C28A 179.2(11) . . . . ?
C25A C24A N4A Pt2A 176.0(7) . . . . ?
C23A C24A N4A Pt2A -4.8(9) . . . . ?
C33A N5A C29A C30A 0.0 . . . . ?
Pt2A N5A C29A C30A -178.5(7) . . . . ?
C33A N5A C29A C28A 178.3(12) . . . . ?
Pt2A N5A C29A C28A -0.2(10) . . . . ?
N4A C28A C29A N5A -1.9(12) . . . . ?
C27A C28A C29A N5A 177.5(7) . . . . ?
N4A C28A C29A C30A 176.3(7) . . . . ?
C27A C28A C29A C30A -4.3(13) . . . . ?
N5A C29A C30A C31A 0.0 . . . . ?
C28A C29A C30A C31A -178.2(13) . . . . ?
C29A C30A C31A C32A 0.0 . . . . ?
C30A C31A C32A C33A 0.0 . . . . ?
C31A C32A C33A N5A 0.0 . . . . ?
C29A N5A C33A C32A 0.0 . . . . ?
Pt2A N5A C33A C32A 178.2(9) . . . . ?

_refine_diff_density_max         2.322
_refine_diff_density_min         -2.925
_refine_diff_density_rms         0.160




_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2285472'
loop_
_audit_author_name
_audit_author_address
'Igor Koshevoy'
;University of Eastern Finland
Finland
;
_audit_update_record             
;
2023-07-30 deposited with the CCDC.	2024-01-24 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_2                   
;
PROBLEM: Check Calcd Resid. Dens.  0.83Ang From Pt1             4.13 eA-3
RESPONSE: Heavy disorder of the complex cation that includes heavy  platinum atoms.
;
_vrf_PLAT973_2                   
;
PROBLEM: Check Calcd Positive Resid. Density on      Pt1A       2.22 eA-3
RESPONSE: Heavy disorder of the complex cation that includes heavy  platinum atoms.
;
_vrf_PLAT972_2                   
;
PROBLEM: Check Calcd Resid. Dens.  0.73Ang From Pt1A           -2.78 eA-3
RESPONSE: Heavy disorder of the complex cation that includes heavy  platinum atoms.
;
# Added during the CSD deposition process: Sunday 30 July 2023 05:52 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H12 B F24, C29 H20 N7 Pt2'
_chemical_formula_sum            'C61 H32 B F24 N7 Pt2'
_chemical_formula_weight         1719.92

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   37.583(4)
_cell_length_b                   19.550(2)
_cell_length_c                   16.6042(19)
_cell_angle_alpha                90
_cell_angle_beta                 103.385(2)
_cell_angle_gamma                90
_cell_volume                     11869(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9439
_cell_measurement_theta_min      2.90
_cell_measurement_theta_max      23.85

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.925
_exptl_crystal_F_000             6592
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.367
_exptl_crystal_size_mid          0.292
_exptl_crystal_size_min          0.162
_exptl_absorpt_coefficient_mu    4.833
_shelx_estimated_absorpt_T_min   0.270
_shelx_estimated_absorpt_T_max   0.508
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.270
_exptl_absorpt_correction_T_max  0.508
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_reflns_number            39691
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.119
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             11622
_reflns_number_gt                8117
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-2018 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond v.4.03 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2018 (Sheldrick, 2018)'

_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)+(0.0666P)²+272.4876P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11622
_refine_ls_number_parameters     903
_refine_ls_number_restraints     348
_refine_ls_R_factor_all          0.1150
_refine_ls_R_factor_gt           0.0817
_refine_ls_wR_factor_ref         0.2085
_refine_ls_wR_factor_gt          0.1870
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 -0.08295(7) 0.54884(19) -0.0437(2) 0.0833(5) Uani 0.436(3) 1 d D . P A
1
Pt2A Pt 0.02492(13) 0.4554(3) 0.19050(17) 0.0534(5) Uani 0.436(3) 1 d D . P A 1
C1A C -0.0370(9) 0.5123(19) 0.033(2) 0.066(4) Uani 0.436(3) 1 d D . P A 1
N1A N -0.0145(7) 0.4931(17) 0.0799(16) 0.066(4) Uani 0.436(3) 1 d D . P A 1
C2A C -0.1005(5) 0.4536(8) -0.0868(12) 0.064(7) Uani 0.436(3) 1 d G U P A 1
C3A C -0.0863(5) 0.3908(11) -0.0560(10) 0.087(10) Uani 0.436(3) 1 d G . P A 1
H3A H -0.065150 0.388946 -0.011690 0.105 Uiso 0.436(3) 1 calc R U P A 1
C4A C -0.1029(6) 0.3306(8) -0.0900(13) 0.098(11) Uani 0.436(3) 1 d G . P A 1
H4A H -0.093196 0.287608 -0.068929 0.118 Uiso 0.436(3) 1 calc R U P A 1
C5A C -0.1338(6) 0.3332(8) -0.1549(13) 0.118(15) Uani 0.436(3) 1 d G . P A 1
H5A H -0.145226 0.292087 -0.178088 0.142 Uiso 0.436(3) 1 calc R U P A 1
C6A C -0.1481(5) 0.3961(10) -0.1857(12) 0.083(10) Uani 0.436(3) 1 d G U P A 1
H6A H -0.169209 0.397904 -0.230010 0.100 Uiso 0.436(3) 1 calc R U P A 1
C7A C -0.1314(6) 0.4563(7) -0.1517(13) 0.077(8) Uani 0.436(3) 1 d DG U P A 1
N2A N -0.1232(4) 0.5726(6) -0.1349(10) 0.087(4) Uani 0.436(3) 1 d G U P A 1
C12A C -0.1306(5) 0.6415(6) -0.1509(10) 0.087(4) Uani 0.436(3) 1 d DG . P A 1
C11A C -0.1595(5) 0.6610(6) -0.2155(11) 0.087(4) Uani 0.436(3) 1 d DG U P A 1
H11A H -0.164575 0.708150 -0.226446 0.104 Uiso 0.436(3) 1 calc R U P A 1
C10A C -0.1809(4) 0.6116(8) -0.2642(10) 0.087(4) Uani 0.436(3) 1 d G . P A 1
H10A H -0.200558 0.624881 -0.308312 0.104 Uiso 0.436(3) 1 calc R U P A 1
C9A C -0.1734(4) 0.5426(7) -0.2482(10) 0.087(4) Uani 0.436(3) 1 d G U P A 1
H9A H -0.188004 0.508791 -0.281412 0.104 Uiso 0.436(3) 1 calc R U P A 1
C8A C -0.1446(5) 0.5231(6) -0.1836(11) 0.087(4) Uani 0.436(3) 1 d DG . P A 1
C15A C -0.0613(6) 0.7056(9) 0.0113(13) 0.095(4) Uani 0.436(3) 1 d D U P A 1
H15A H -0.040701 0.701204 0.056432 0.114 Uiso 0.436(3) 1 calc R U P A 1
C14A C -0.0789(7) 0.7695(6) -0.0189(16) 0.095(4) Uani 0.436(3) 1 d D . P A 1
H14A H -0.072317 0.814364 0.001191 0.114 Uiso 0.436(3) 1 calc R U P A 1
C13A C -0.1068(6) 0.7509(10) -0.0825(14) 0.095(4) Uani 0.436(3) 1 d D . P A 1
H13A H -0.123907 0.781579 -0.114828 0.114 Uiso 0.436(3) 1 calc R U P A 1
N4A N -0.0785(6) 0.6538(5) -0.0337(14) 0.095(4) Uani 0.436(3) 1 d D U P A 1
N3A N -0.1069(6) 0.6823(10) -0.0934(12) 0.095(4) Uani 0.436(3) 1 d D . P A 1
C21A C 0.0733(6) 0.5379(6) 0.3010(14) 0.100(5) Uani 0.436(3) 1 d DG . P A 1
C20A C 0.0889(6) 0.5985(8) 0.3363(14) 0.100(5) Uani 0.436(3) 1 d G U P A 1
H20A H 0.109286 0.597129 0.382396 0.120 Uiso 0.436(3) 1 calc R U P A 1
C19A C 0.0747(7) 0.6610(6) 0.3041(16) 0.100(5) Uani 0.436(3) 1 d G . P A 1
H19A H 0.085366 0.702379 0.328278 0.120 Uiso 0.436(3) 1 calc R U P A 1
C18A C 0.0449(6) 0.6629(8) 0.2367(15) 0.100(5) Uani 0.436(3) 1 d G . P A 1
H18A H 0.035145 0.705644 0.214689 0.120 Uiso 0.436(3) 1 calc R U P A 1
C17A C 0.0292(5) 0.6023(11) 0.2013(12) 0.100(5) Uani 0.436(3) 1 d G . P A 1
H17A H 0.008845 0.603660 0.155216 0.120 Uiso 0.436(3) 1 calc R U P A 1
C16A C 0.0434(6) 0.5398(8) 0.2335(13) 0.100(5) Uani 0.436(3) 1 d G . P A 1
N5A N 0.0627(4) 0.4217(6) 0.2759(9) 0.072(4) Uani 0.436(3) 1 d DG . P A 1
C26A C 0.0673(4) 0.3518(6) 0.2897(10) 0.072(4) Uani 0.436(3) 1 d DG . P A 1
C25A C 0.0940(4) 0.3280(6) 0.3564(11) 0.070(7) Uani 0.436(3) 1 d G U P A 1
H25A H 0.097079 0.280181 0.365840 0.084 Uiso 0.436(3) 1 calc R U P A 1
C24A C 0.1160(4) 0.3740(8) 0.4092(9) 0.072(4) Uani 0.436(3) 1 d G . P A 1
H24A H 0.134248 0.357758 0.454733 0.086 Uiso 0.436(3) 1 calc R U P A 1
C23A C 0.1115(4) 0.4440(7) 0.3953(9) 0.072(4) Uani 0.436(3) 1 d G . P A 1
H23A H 0.126547 0.475446 0.431412 0.086 Uiso 0.436(3) 1 calc R U P A 1
C22A C 0.0848(4) 0.4678(5) 0.3287(10) 0.072(4) Uani 0.436(3) 1 d DG . P A 1
N6A N 0.0421(4) 0.3168(10) 0.2258(11) 0.070(3) Uani 0.436(3) 1 d D . P A 1
C28A C 0.0113(5) 0.2296(11) 0.1513(16) 0.070(3) Uani 0.436(3) 1 d D . P A 1
H28A H 0.003227 0.185746 0.130073 0.085 Uiso 0.436(3) 1 calc R U P A 1
C29A C -0.0034(6) 0.2968(11) 0.1225(18) 0.070(3) Uani 0.436(3) 1 d D . P A 1
H29A H -0.023753 0.302933 0.076865 0.085 Uiso 0.436(3) 1 calc R U P A 1
N7A N 0.0152(5) 0.3509(11) 0.1685(14) 0.070(3) Uani 0.436(3) 1 d D . P A 1
C27A C 0.0397(5) 0.2457(14) 0.2166(16) 0.070(3) Uani 0.436(3) 1 d D . P A 1
H27A H 0.055230 0.213502 0.250516 0.085 Uiso 0.436(3) 1 calc R U P A 1
F22A F 0.0956(6) 0.7585(9) 0.1548(14) 0.132(8) Uani 0.436(3) 1 d D U P A 1
F24A F 0.0646(8) 0.8316(14) 0.2066(17) 0.177(14) Uani 0.436(3) 1 d D U P A 1
F23A F 0.0848(7) 0.8576(11) 0.0994(14) 0.150(10) Uani 0.436(3) 1 d D U P A 1
C61A C 0.0933(6) 0.8248(9) 0.1724(12) 0.082(7) Uani 0.436(3) 1 d D U P A 1
C60A C 0.2218(7) 0.8954(12) 0.2027(17) 0.077(10) Uani 0.436(3) 1 d D U P A 1
F20A F 0.2226(14) 0.9519(13) 0.159(3) 0.17(2) Uani 0.436(3) 1 d D . P A 1
F19A F 0.2538(8) 0.893(2) 0.257(2) 0.20(2) Uani 0.436(3) 1 d D . P A 1
F21A F 0.2227(15) 0.8440(13) 0.151(2) 0.21(3) Uani 0.436(3) 1 d D . P A 1
C54A C 0.1622(6) 0.9056(15) 0.3523(11) 0.050(9) Uani 0.436(3) 1 d G U P A 1
C55A C 0.1916(5) 0.9105(16) 0.3147(15) 0.058(8) Uani 0.436(3) 1 d G . P A 1
H55A H 0.214144 0.929211 0.344371 0.070 Uiso 0.436(3) 1 calc R U P A 1
C56A C 0.1879(7) 0.8881(18) 0.2338(15) 0.070(10) Uani 0.436(3) 1 d DG . P A 1
C57A C 0.1548(8) 0.8607(16) 0.1904(12) 0.089(17) Uani 0.436(3) 1 d G . P A 1
H57A H 0.152291 0.845407 0.135056 0.107 Uiso 0.436(3) 1 calc R U P A 1
C58A C 0.1255(6) 0.8559(14) 0.2279(14) 0.066(13) Uani 0.436(3) 1 d G . P A 1
C59A C 0.1292(5) 0.8783(16) 0.3089(14) 0.053(7) Uani 0.436(3) 1 d G . P A 1
H59A H 0.109141 0.874977 0.334577 0.063 Uiso 0.436(3) 1 calc R U P A 1
Pt1 Pt -0.07220(6) 0.56885(14) -0.04391(18) 0.0833(5) Uani 0.564(3) 1 d D . P A
2
Pt2 Pt 0.02242(10) 0.4535(2) 0.16448(14) 0.0534(5) Uani 0.564(3) 1 d D . P A 2
C1 C -0.0185(6) 0.5024(14) 0.0953(13) 0.066(4) Uani 0.564(3) 1 d D U P A 2
N1 N -0.0367(6) 0.5268(11) 0.0483(11) 0.066(4) Uani 0.564(3) 1 d D . P A 2
C2 C -0.0588(6) 0.6642(8) -0.0065(13) 0.113(4) Uani 0.564(3) 1 d G . P A 2
C3 C -0.0308(5) 0.6876(10) 0.0576(11) 0.113(4) Uani 0.564(3) 1 d G U P A 2
H3 H -0.013862 0.656195 0.089097 0.136 Uiso 0.564(3) 1 calc R U P A 2
C4 C -0.0275(4) 0.7571(11) 0.0755(10) 0.113(4) Uani 0.564(3) 1 d G . P A 2
H4 H -0.008374 0.773171 0.119263 0.136 Uiso 0.564(3) 1 calc R U P A 2
C5 C -0.0523(6) 0.8031(8) 0.0294(13) 0.113(4) Uani 0.564(3) 1 d G . P A 2
H5 H -0.050070 0.850635 0.041632 0.136 Uiso 0.564(3) 1 calc R U P A 2
C6 C -0.0803(5) 0.7797(10) -0.0346(12) 0.113(4) Uani 0.564(3) 1 d G . P A 2
H6 H -0.097254 0.811124 -0.066167 0.136 Uiso 0.564(3) 1 calc R U P A 2
C7 C -0.0836(5) 0.7102(11) -0.0526(11) 0.113(4) Uani 0.564(3) 1 d DG . P A 2
C8 C -0.1131(4) 0.6873(6) -0.1194(9) 0.101(3) Uani 0.564(3) 1 d DG . P A 2
C9 C -0.1407(4) 0.7211(5) -0.1754(10) 0.101(3) Uani 0.564(3) 1 d G . P A 2
H9 H -0.141803 0.769601 -0.175377 0.121 Uiso 0.564(3) 1 calc R U P A 2
C10 C -0.1667(4) 0.6838(8) -0.2316(9) 0.101(3) Uani 0.564(3) 1 d G . P A 2
H10 H -0.185558 0.706912 -0.269925 0.121 Uiso 0.564(3) 1 calc R U P A 2
C11 C -0.1651(4) 0.6128(8) -0.2317(9) 0.101(3) Uani 0.564(3) 1 d G U P A 2
H11 H -0.182847 0.587335 -0.270086 0.121 Uiso 0.564(3) 1 calc R U P A 2
C12 C -0.1375(4) 0.5790(5) -0.1756(9) 0.101(3) Uani 0.564(3) 1 d DG . P A 2
N2 N -0.1115(4) 0.6162(6) -0.1195(8) 0.101(3) Uani 0.564(3) 1 d G U P A 2
C14 C -0.1355(6) 0.3950(7) -0.1763(14) 0.103(4) Uani 0.564(3) 1 d D . P A 2
H14 H -0.142521 0.349338 -0.191907 0.124 Uiso 0.564(3) 1 calc R U P A 2
C13 C -0.1518(5) 0.4531(10) -0.2094(12) 0.103(4) Uani 0.564(3) 1 d D . P A 2
H13 H -0.172880 0.455282 -0.253803 0.124 Uiso 0.564(3) 1 calc R U P A 2
C15 C -0.1050(5) 0.4174(8) -0.1117(13) 0.103(4) Uani 0.564(3) 1 d D . P A 2
H15 H -0.088379 0.387764 -0.076277 0.124 Uiso 0.564(3) 1 calc R U P A 2
N3 N -0.1336(6) 0.5079(6) -0.1701(13) 0.103(4) Uani 0.564(3) 1 d D U P A 2
N4 N -0.1036(5) 0.4866(8) -0.1088(12) 0.103(4) Uani 0.564(3) 1 d D . P A 2
C16 C 0.0090(5) 0.3601(6) 0.1259(12) 0.108(4) Uani 0.564(3) 1 d G U P A 2
C17 C -0.0173(5) 0.3410(9) 0.0559(11) 0.108(4) Uani 0.564(3) 1 d G . P A 2
H17 H -0.030709 0.375001 0.020648 0.129 Uiso 0.564(3) 1 calc R U P A 2
C18 C -0.0238(4) 0.2721(10) 0.0374(10) 0.108(4) Uani 0.564(3) 1 d G . P A 2
H18 H -0.041707 0.259074 -0.010478 0.129 Uiso 0.564(3) 1 calc R U P A 2
C19 C -0.0041(5) 0.2224(7) 0.0889(11) 0.108(4) Uani 0.564(3) 1 d G . P A 2
H19 H -0.008563 0.175338 0.076270 0.129 Uiso 0.564(3) 1 calc R U P A 2
C20 C 0.0221(5) 0.2415(7) 0.1589(11) 0.108(4) Uani 0.564(3) 1 d DG . P A 2
H20 H 0.035578 0.207527 0.194143 0.129 Uiso 0.564(3) 1 calc R U P A 2
C21 C 0.0287(5) 0.3104(7) 0.1774(10) 0.108(4) Uani 0.564(3) 1 d DG . P A 2
N5 N 0.0577(4) 0.4023(5) 0.2474(9) 0.097(4) Uani 0.564(3) 1 d DG . P A 2
C22 C 0.0571(4) 0.3312(5) 0.2465(9) 0.097(4) Uani 0.564(3) 1 d DG U P A 2
C23 C 0.0810(4) 0.2947(5) 0.3080(10) 0.097(4) Uani 0.564(3) 1 d G . P A 2
H23 H 0.080582 0.246117 0.307436 0.116 Uiso 0.564(3) 1 calc R U P A 2
C24 C 0.1055(4) 0.3293(7) 0.3703(9) 0.097(4) Uani 0.564(3) 1 d G . P A 2
H24 H 0.121811 0.304306 0.412255 0.116 Uiso 0.564(3) 1 calc R U P A 2
C25 C 0.1061(4) 0.4004(7) 0.3711(8) 0.097(4) Uani 0.564(3) 1 d G . P A 2
H25 H 0.122851 0.423979 0.413624 0.116 Uiso 0.564(3) 1 calc R U P A 2
C26 C 0.0822(4) 0.4369(5) 0.3096(9) 0.097(4) Uani 0.564(3) 1 d DG . P A 2
C27 C 0.1013(4) 0.5590(8) 0.3490(10) 0.077(3) Uani 0.564(3) 1 d D . P A 2
H27 H 0.121352 0.552781 0.395047 0.093 Uiso 0.564(3) 1 calc R U P A 2
C28 C 0.0882(5) 0.6203(6) 0.3176(12) 0.078(7) Uani 0.564(3) 1 d D . P A 2
H28 H 0.096750 0.664564 0.336437 0.094 Uiso 0.564(3) 1 calc R U P A 2
C29 C 0.0582(4) 0.6032(7) 0.2492(11) 0.077(3) Uani 0.564(3) 1 d D . P A 2
H29 H 0.043332 0.635422 0.213693 0.093 Uiso 0.564(3) 1 calc R U P A 2
N6 N 0.0817(4) 0.5079(5) 0.3053(11) 0.077(3) Uani 0.564(3) 1 d D . P A 2
N7 N 0.0544(4) 0.5352(7) 0.2431(11) 0.077(3) Uani 0.564(3) 1 d D . P A 2
F24 F 0.0671(5) 0.7695(8) 0.2360(11) 0.141(6) Uani 0.564(3) 1 d D U P A 2
F23 F 0.0671(5) 0.8253(10) 0.1245(9) 0.140(7) Uani 0.564(3) 1 d D U P A 2
F22 F 0.0466(6) 0.8721(9) 0.2214(12) 0.161(8) Uani 0.564(3) 1 d D U P A 2
C61 C 0.0721(4) 0.8301(8) 0.2059(10) 0.082(7) Uani 0.564(3) 1 d D . P A 2
C60 C 0.2016(4) 0.8824(10) 0.1940(10) 0.071(6) Uani 0.564(3) 1 d D . P A 2
F20 F 0.2049(9) 0.9428(12) 0.1593(19) 0.130(10) Uani 0.564(3) 1 d D . P A 2
F19 F 0.2349(5) 0.8697(11) 0.2412(13) 0.111(7) Uani 0.564(3) 1 d D . P A 2
F21 F 0.1979(9) 0.8376(15) 0.1321(15) 0.183(16) Uani 0.564(3) 1 d D . P A 2
C54 C 0.1512(5) 0.9044(11) 0.3643(10) 0.046(5) Uani 0.564(3) 1 d G . P A 2
C55 C 0.1785(4) 0.9062(11) 0.3203(12) 0.049(6) Uani 0.564(3) 1 d G U P A 2
H55 H 0.202004 0.923789 0.345569 0.059 Uiso 0.564(3) 1 calc R U P A 2
C56 C 0.1714(4) 0.8821(14) 0.2394(12) 0.070(8) Uani 0.564(3) 1 d DG . P A 2
C57 C 0.1371(5) 0.8563(12) 0.2024(10) 0.070(11) Uani 0.564(3) 1 d G . P A 2
H57 H 0.132212 0.839886 0.147119 0.084 Uiso 0.564(3) 1 calc R U P A 2
C58 C 0.1098(4) 0.8546(12) 0.2464(12) 0.073(9) Uani 0.564(3) 1 d DG . P A 2
C59 C 0.1169(4) 0.8786(13) 0.3273(12) 0.074(8) Uani 0.564(3) 1 d G . P A 2
H59 H 0.098226 0.877438 0.357404 0.089 Uiso 0.564(3) 1 calc R U P A 2
C32 C 0.2003(3) 0.7455(5) 0.5347(7) 0.055(3) Uani 1 1 d . . . . .
C52 C 0.1769(4) 1.1903(6) 0.4276(10) 0.088(4) Uani 1 1 d D . . . .
B1 B 0.1649(4) 0.9310(6) 0.4580(8) 0.058(3) Uani 1 1 d . . . . .
C46 C 0.1904(3) 1.0001(5) 0.4641(6) 0.053(2) Uani 1 1 d . . . . .
C51 C 0.2287(3) 0.9980(5) 0.4815(6) 0.056(2) Uani 1 1 d . . . . .
H51 H 0.240678 0.955260 0.494386 0.067 Uiso 1 1 calc R U . . .
C50 C 0.2496(3) 1.0561(5) 0.4806(7) 0.061(3) Uani 1 1 d D . . . .
F1 F 0.1922(10) 0.6715(9) 0.4197(10) 0.110(9) Uani 0.53(4) 1 d D . P B 1
F2 F 0.1653(6) 0.6452(12) 0.513(2) 0.103(9) Uani 0.53(4) 1 d D . P B 1
F3 F 0.2228(6) 0.6341(10) 0.5326(18) 0.115(8) Uani 0.53(4) 1 d D U P B 1
F1A F 0.2105(6) 0.6582(14) 0.4431(14) 0.086(7) Uani 0.47(4) 1 d D U P B 2
F3A F 0.2075(7) 0.6274(8) 0.5627(10) 0.084(7) Uani 0.47(4) 1 d D U P B 2
F2A F 0.1598(4) 0.6581(13) 0.4771(15) 0.079(7) Uani 0.47(4) 1 d D U P B 2
C36 C 0.1948(2) 0.6753(5) 0.5021(6) 0.063(3) Uani 1 1 d D . . . .
C34 C 0.2259(3) 0.8235(6) 0.6419(7) 0.059(3) Uani 1 1 d . . . . .
C33 C 0.2218(3) 0.7570(6) 0.6128(7) 0.059(3) Uani 1 1 d . . . . .
H33 H 0.233680 0.720214 0.645709 0.071 Uiso 1 1 calc R U . . .
C31 C 0.1829(3) 0.8001(5) 0.4866(7) 0.052(2) Uani 1 1 d . . . . .
H31 H 0.168170 0.790851 0.433027 0.062 Uiso 1 1 calc R U . . .
C35 C 0.2087(3) 0.8771(5) 0.5933(6) 0.055(2) Uani 1 1 d . . . . .
H35 H 0.212277 0.922247 0.614787 0.066 Uiso 1 1 calc R U . . .
C30 C 0.1866(3) 0.8675(5) 0.5144(6) 0.052(2) Uani 1 1 d . . . . .
C37 C 0.2488(4) 0.8369(8) 0.7252(9) 0.087(4) Uani 1 1 d . . . . .
C38 C 0.1283(3) 0.9498(6) 0.4897(8) 0.067(3) Uani 1 1 d . . . . .
C39 C 0.1261(3) 0.9406(5) 0.5725(9) 0.068(3) Uani 1 1 d . . . . .
H39 H 0.145880 0.918708 0.609428 0.082 Uiso 1 1 calc R U . . .
C40 C 0.0964(3) 0.9621(6) 0.6031(8) 0.076(4) Uani 1 1 d D . . . .
C41 C 0.0676(4) 0.9945(8) 0.5502(13) 0.107(6) Uani 1 1 d . . . . .
H41 H 0.047141 1.009291 0.570237 0.128 Uiso 1 1 calc R U . . .
C42 C 0.0683(3) 1.0053(8) 0.4697(12) 0.112(6) Uani 1 1 d D . . . .
C43 C 0.0984(4) 0.9826(7) 0.4392(10) 0.091(4) Uani 1 1 d . . . . .
H43 H 0.098229 0.990018 0.382555 0.109 Uiso 1 1 calc R U . . .
C44 C 0.0961(4) 0.9448(8) 0.6905(9) 0.094(5) Uani 1 1 d D . . . .
C45 C 0.0373(3) 1.0397(7) 0.4097(9) 0.188(15) Uani 1 1 d D . . . .
C47 C 0.1748(3) 1.0645(5) 0.4468(7) 0.057(3) Uani 1 1 d . . . . .
H47 H 0.148891 1.068721 0.434959 0.068 Uiso 1 1 calc R U . . .
C48 C 0.1957(3) 1.1226(5) 0.4463(7) 0.064(3) Uani 1 1 d D . . . .
C49 C 0.2336(3) 1.1195(6) 0.4639(7) 0.063(3) Uani 1 1 d . . . . .
H49 H 0.247939 1.159552 0.464356 0.076 Uiso 1 1 calc R U . . .
C53 C 0.2903(3) 1.0508(8) 0.4986(13) 0.096(5) Uani 1 1 d D . . . .
F4 F 0.2798(3) 0.8004(6) 0.7412(6) 0.148(4) Uani 1 1 d . . . . .
F5 F 0.2355(4) 0.8108(8) 0.7826(6) 0.180(6) Uani 1 1 d . . . . .
F6 F 0.2583(4) 0.8972(5) 0.7412(7) 0.178(7) Uani 1 1 d . . . . .
F7 F 0.0882(4) 0.8828(6) 0.7016(6) 0.179(6) Uani 1 1 d . . . . .
F8 F 0.1272(3) 0.9573(5) 0.7436(6) 0.119(3) Uani 1 1 d . . . . .
F9 F 0.0730(3) 0.9866(8) 0.7182(7) 0.165(5) Uani 1 1 d . . . . .
F10 F 0.0131(3) 1.0669(7) 0.4483(9) 0.216(8) Uani 1 1 d D . . . .
F11 F 0.0490(3) 1.0898(8) 0.3687(10) 0.238(10) Uani 1 1 d D . . . .
F12 F 0.0192(4) 0.9951(8) 0.3544(11) 0.279(13) Uani 1 1 d D . . . .
F13 F 0.1534(3) 1.2028(5) 0.4743(7) 0.142(4) Uani 1 1 d . . . . .
F14 F 0.1981(3) 1.2417(4) 0.4314(8) 0.146(4) Uani 1 1 d . . . . .
F15 F 0.1560(3) 1.1922(5) 0.3510(6) 0.152(5) Uani 1 1 d . . . . .
F16 F 0.3073(3) 1.1068(5) 0.5058(13) 0.223(9) Uani 1 1 d . . . . .
F17 F 0.3018(3) 1.0199(7) 0.4392(10) 0.165(5) Uani 1 1 d . . . . .
F18 F 0.3044(2) 1.0081(6) 0.5590(7) 0.137(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1A N2A 1.933(9) . ?
Pt1A C1A 2.021(10) . ?
Pt1A C2A 2.048(15) . ?
Pt1A N4A 2.062(9) . ?
Pt2A C16A 1.867(13) . ?
Pt2A N5A 1.879(9) . ?
Pt2A N7A 2.09(2) . ?
Pt2A N1A 2.202(16) . ?
Pt2A Pt2A 3.021(8) 2 ?
C1A N1A 1.080(10) . ?
C2A C3A 1.3900 . ?
C2A C7A 1.3900 . ?
C3A C4A 1.3900 . ?
C3A H3A 0.9500 . ?
C4A C5A 1.3900 . ?
C4A H4A 0.9500 . ?
C5A C6A 1.3900 . ?
C5A H5A 0.9500 . ?
C6A C7A 1.3900 . ?
C6A H6A 0.9500 . ?
C7A C8A 1.452(9) . ?
N2A C12A 1.3900 . ?
N2A C8A 1.3900 . ?
C12A C11A 1.3900 . ?
C12A N3A 1.396(8) . ?
C11A C10A 1.3900 . ?
C11A H11A 0.9500 . ?
C10A C9A 1.3900 . ?
C10A H10A 0.9500 . ?
C9A C8A 1.3900 . ?
C9A H9A 0.9500 . ?
C15A N4A 1.333(9) . ?
C15A C14A 1.448(9) . ?
C15A H15A 0.9500 . ?
C14A C13A 1.355(9) . ?
C14A H14A 0.9500 . ?
C13A N3A 1.352(10) . ?
C13A H13A 0.9500 . ?
N4A N3A 1.394(9) . ?
C21A C20A 1.3900 . ?
C21A C16A 1.3900 . ?
C21A C22A 1.478(10) . ?
C20A C19A 1.3900 . ?
C20A H20A 0.9500 . ?
C19A C18A 1.3900 . ?
C19A H19A 0.9500 . ?
C18A C17A 1.3900 . ?
C18A H18A 0.9500 . ?
C17A C16A 1.3900 . ?
C17A H17A 0.9500 . ?
N5A C26A 1.3900 . ?
N5A C22A 1.3900 . ?
C26A C25A 1.3900 . ?
C26A N6A 1.423(10) . ?
C25A C24A 1.3900 . ?
C25A H25A 0.9500 . ?
C24A C23A 1.3900 . ?
C24A H24A 0.9500 . ?
C23A C22A 1.3900 . ?
C23A H23A 0.9500 . ?
N6A N7A 1.388(10) . ?
N6A C27A 1.40(3) . ?
C28A C27A 1.369(10) . ?
C28A C29A 1.462(10) . ?
C28A H28A 0.9500 . ?
C29A N7A 1.40(3) . ?
C29A H29A 0.9500 . ?
C27A H27A 0.9500 . ?
F22A C61A 1.336(10) . ?
F24A C61A 1.334(10) . ?
F23A C61A 1.341(10) . ?
C61A C58A 1.47(3) . ?
C60A F19A 1.327(10) . ?
C60A F20A 1.327(10) . ?
C60A F21A 1.332(10) . ?
C60A C56A 1.490(19) . ?
C54A C55A 1.3900 . ?
C54A C59A 1.3900 . ?
C54A B1 1.80(2) . ?
C55A C56A 1.3900 . ?
C55A H55A 0.9500 . ?
C56A C57A 1.3900 . ?
C57A C58A 1.3900 . ?
C57A H57A 0.9500 . ?
C58A C59A 1.3900 . ?
C59A H59A 0.9500 . ?
Pt1 N2 1.938(9) . ?
Pt1 N1 1.962(8) . ?
Pt1 C2 1.992(14) . ?
Pt1 N4 2.134(9) . ?
Pt1 Pt2 3.071(4) 5_565 ?
Pt2 C1 1.944(8) . ?
Pt2 N5 1.952(8) . ?
Pt2 C16 1.961(13) . ?
Pt2 N7 2.231(13) . ?
C1 N1 1.031(8) . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 C4 1.3900 . ?
C3 H3 0.9500 . ?
C4 C5 1.3900 . ?
C4 H4 0.9500 . ?
C5 C6 1.3900 . ?
C5 H5 0.9500 . ?
C6 C7 1.3900 . ?
C6 H6 0.9500 . ?
C7 C8 1.446(9) . ?
C8 C9 1.3900 . ?
C8 N2 1.3900 . ?
C9 C10 1.3900 . ?
C9 H9 0.9500 . ?
C10 C11 1.3900 . ?
C10 H10 0.9500 . ?
C11 C12 1.3900 . ?
C11 H11 0.9500 . ?
C12 N2 1.3900 . ?
C12 N3 1.397(9) . ?
C14 C13 1.346(9) . ?
C14 C15 1.443(9) . ?
C14 H14 0.9500 . ?
C13 N3 1.355(9) . ?
C13 H13 0.9500 . ?
C15 N4 1.355(9) . ?
C15 H15 0.9500 . ?
N3 N4 1.397(9) . ?
C16 C17 1.3900 . ?
C16 C21 1.3900 . ?
C17 C18 1.3900 . ?
C17 H17 0.9500 . ?
C18 C19 1.3900 . ?
C18 H18 0.9500 . ?
C19 C20 1.3900 . ?
C19 H19 0.9500 . ?
C20 C21 1.3900 . ?
C20 H20 0.9500 . ?
C21 C22 1.435(9) . ?
N5 C22 1.3900 . ?
N5 C26 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C23 H23 0.9500 . ?
C24 C25 1.3900 . ?
C24 H24 0.9500 . ?
C25 C26 1.3900 . ?
C25 H25 0.9500 . ?
C26 N6 1.390(9) . ?
C27 N6 1.348(9) . ?
C27 C28 1.355(9) . ?
C27 H27 0.9500 . ?
C28 C29 1.442(9) . ?
C28 H28 0.9500 . ?
C29 N7 1.338(9) . ?
C29 H29 0.9500 . ?
N6 N7 1.383(9) . ?
F24 C61 1.317(10) . ?
F23 C61 1.324(9) . ?
F22 C61 1.332(10) . ?
C61 C58 1.498(10) . ?
C60 F20 1.332(10) . ?
C60 F21 1.332(10) . ?
C60 F19 1.339(10) . ?
C60 C56 1.500(9) . ?
C54 C55 1.3900 . ?
C54 C59 1.3900 . ?
C54 B1 1.607(19) . ?
C55 C56 1.3900 . ?
C55 H55 0.9500 . ?
C56 C57 1.3900 . ?
C57 C58 1.3900 . ?
C57 H57 0.9500 . ?
C58 C59 1.3900 . ?
C59 H59 0.9500 . ?
C32 C33 1.379(15) . ?
C32 C31 1.401(14) . ?
C32 C36 1.473(15) . ?
C52 F14 1.276(17) . ?
C52 F13 1.325(18) . ?
C52 F15 1.331(16) . ?
C52 C48 1.500(9) . ?
B1 C38 1.623(18) . ?
B1 C46 1.647(16) . ?
B1 C30 1.653(15) . ?
C46 C47 1.392(13) . ?
C46 C51 1.399(14) . ?
C51 C50 1.384(14) . ?
C51 H51 0.9500 . ?
C50 C49 1.378(15) . ?
C50 C53 1.493(9) . ?
F1 C36 1.351(13) . ?
F2 C36 1.303(13) . ?
F3 C36 1.329(12) . ?
F1A C36 1.300(13) . ?
F3A C36 1.376(12) . ?
F2A C36 1.326(14) . ?
C34 C33 1.382(15) . ?
C34 C35 1.386(14) . ?
C34 C37 1.474(17) . ?
C33 H33 0.9500 . ?
C31 C30 1.392(14) . ?
C31 H31 0.9500 . ?
C35 C30 1.393(14) . ?
C35 H35 0.9500 . ?
C37 F6 1.242(16) . ?
C37 F5 1.279(18) . ?
C37 F4 1.343(18) . ?
C38 C43 1.394(17) . ?
C38 C39 1.408(18) . ?
C39 C40 1.393(17) . ?
C39 H39 0.9500 . ?
C40 C41 1.380(19) . ?
C40 C44 1.494(9) . ?
C41 C42 1.36(2) . ?
C41 H41 0.9500 . ?
C42 C43 1.41(2) . ?
C42 C45 1.505(9) . ?
C43 H43 0.9500 . ?
C44 F7 1.272(16) . ?
C44 F8 1.314(17) . ?
C44 F9 1.348(17) . ?
C45 F11 1.324(9) . ?
C45 F12 1.332(9) . ?
C45 F10 1.337(9) . ?
C47 C48 1.384(15) . ?
C47 H47 0.9500 . ?
C48 C49 1.385(16) . ?
C49 H49 0.9500 . ?
C53 F16 1.259(16) . ?
C53 F17 1.31(2) . ?
C53 F18 1.318(17) . ?

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 C1A 167.5(14) . . ?
N2A Pt1A C2A 79.3(6) . . ?
C1A Pt1A C2A 93.3(12) . . ?
N2A Pt1A N4A 81.9(7) . . ?
C1A Pt1A N4A 105.0(13) . . ?
C2A Pt1A N4A 161.1(8) . . ?
C16A Pt2A N5A 82.6(5) . . ?
C16A Pt2A N7A 164.6(7) . . ?
N5A Pt2A N7A 81.9(6) . . ?
C16A Pt2A N1A 98.2(11) . . ?
N5A Pt2A N1A 172.6(11) . . ?
N7A Pt2A N1A 97.2(10) . . ?
C16A Pt2A Pt2A 89.0(9) . 2 ?
N5A Pt2A Pt2A 88.9(6) . 2 ?
N7A Pt2A Pt2A 90.3(6) . 2 ?
N1A Pt2A Pt2A 98.4(9) . 2 ?
N1A C1A Pt1A 172(4) . . ?
C1A N1A Pt2A 170(3) . . ?
C3A C2A C7A 120.0 . . ?
C3A C2A Pt1A 127.5(11) . . ?
C7A C2A Pt1A 112.4(11) . . ?
C4A C3A C2A 120.0 . . ?
C4A C3A H3A 120.0 . . ?
C2A C3A H3A 120.0 . . ?
C3A C4A C5A 120.0 . . ?
C3A C4A H4A 120.0 . . ?
C5A C4A H4A 120.0 . . ?
C4A C5A C6A 120.0 . . ?
C4A C5A H5A 120.0 . . ?
C6A C5A H5A 120.0 . . ?
C7A C6A C5A 120.0 . . ?
C7A C6A H6A 120.0 . . ?
C5A C6A H6A 120.0 . . ?
C6A C7A C2A 120.0 . . ?
C6A C7A C8A 122.0(14) . . ?
C2A C7A C8A 117.9(14) . . ?
C12A N2A C8A 120.0 . . ?
C12A N2A Pt1A 118.0(6) . . ?
C8A N2A Pt1A 122.0(6) . . ?
C11A C12A N2A 120.0 . . ?
C11A C12A N3A 129.2(9) . . ?
N2A C12A N3A 110.8(9) . . ?
C12A C11A C10A 120.0 . . ?
C12A C11A H11A 120.0 . . ?
C10A C11A H11A 120.0 . . ?
C9A C10A C11A 120.0 . . ?
C9A C10A H10A 120.0 . . ?
C11A C10A H10A 120.0 . . ?
C8A C9A C10A 120.0 . . ?
C8A C9A H9A 120.0 . . ?
C10A C9A H9A 120.0 . . ?
C9A C8A N2A 120.0 . . ?
C9A C8A C7A 131.8(11) . . ?
N2A C8A C7A 108.2(11) . . ?
N4A C15A C14A 109.9(6) . . ?
N4A C15A H15A 125.1 . . ?
C14A C15A H15A 125.1 . . ?
C13A C14A C15A 104.2(6) . . ?
C13A C14A H14A 127.9 . . ?
C15A C14A H14A 127.9 . . ?
N3A C13A C14A 110.5(7) . . ?
N3A C13A H13A 124.8 . . ?
C14A C13A H13A 124.8 . . ?
C15A N4A N3A 106.6(7) . . ?
C15A N4A Pt1A 145.2(14) . . ?
N3A N4A Pt1A 107.8(13) . . ?
C13A N3A N4A 108.9(6) . . ?
C13A N3A C12A 129.7(16) . . ?
N4A N3A C12A 121.4(15) . . ?
C20A C21A C16A 120.0 . . ?
C20A C21A C22A 126.4(9) . . ?
C16A C21A C22A 113.6(9) . . ?
C21A C20A C19A 120.0 . . ?
C21A C20A H20A 120.0 . . ?
C19A C20A H20A 120.0 . . ?
C18A C19A C20A 120.0 . . ?
C18A C19A H19A 120.0 . . ?
C20A C19A H19A 120.0 . . ?
C17A C18A C19A 120.0 . . ?
C17A C18A H18A 120.0 . . ?
C19A C18A H18A 120.0 . . ?
C18A C17A C16A 120.0 . . ?
C18A C17A H17A 120.0 . . ?
C16A C17A H17A 120.0 . . ?
C17A C16A C21A 120.0 . . ?
C17A C16A Pt2A 123.6(9) . . ?
C21A C16A Pt2A 116.4(9) . . ?
C26A N5A C22A 120.0 . . ?
C26A N5A Pt2A 120.9(6) . . ?
C22A N5A Pt2A 119.0(6) . . ?
N5A C26A C25A 120.0 . . ?
N5A C26A N6A 108.3(11) . . ?
C25A C26A N6A 131.7(11) . . ?
C26A C25A C24A 120.0 . . ?
C26A C25A H25A 120.0 . . ?
C24A C25A H25A 120.0 . . ?
C23A C24A C25A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
C25A C24A H24A 120.0 . . ?
C24A C23A C22A 120.0 . . ?
C24A C23A H23A 120.0 . . ?
C22A C23A H23A 120.0 . . ?
C23A C22A N5A 120.0 . . ?
C23A C22A C21A 131.6(8) . . ?
N5A C22A C21A 108.4(8) . . ?
N7A N6A C27A 112.5(16) . . ?
N7A N6A C26A 122.3(17) . . ?
C27A N6A C26A 125.1(17) . . ?
C27A C28A C29A 103(2) . . ?
C27A C28A H28A 128.6 . . ?
C29A C28A H28A 128.6 . . ?
N7A C29A C28A 113(2) . . ?
N7A C29A H29A 123.3 . . ?
C28A C29A H29A 123.3 . . ?
N6A N7A C29A 101.9(17) . . ?
N6A N7A Pt2A 106.2(15) . . ?
C29A N7A Pt2A 151.8(16) . . ?
C28A C27A N6A 110(2) . . ?
C28A C27A H27A 125.2 . . ?
N6A C27A H27A 125.2 . . ?
F24A C61A F22A 106.9(11) . . ?
F24A C61A F23A 107.0(11) . . ?
F22A C61A F23A 106.2(10) . . ?
F24A C61A C58A 109(2) . . ?
F22A C61A C58A 117(2) . . ?
F23A C61A C58A 111(2) . . ?
F19A C60A F20A 105.6(14) . . ?
F19A C60A F21A 105.3(15) . . ?
F20A C60A F21A 105.4(14) . . ?
F19A C60A C56A 118(2) . . ?
F20A C60A C56A 114(3) . . ?
F21A C60A C56A 108(3) . . ?
C55A C54A C59A 120.0 . . ?
C55A C54A B1 123.2(12) . . ?
C59A C54A B1 116.8(12) . . ?
C56A C55A C54A 120.0 . . ?
C56A C55A H55A 120.0 . . ?
C54A C55A H55A 120.0 . . ?
C57A C56A C55A 120.0 . . ?
C57A C56A C60A 126.3(18) . . ?
C55A C56A C60A 113.7(18) . . ?
C56A C57A C58A 120.0 . . ?
C56A C57A H57A 120.0 . . ?
C58A C57A H57A 120.0 . . ?
C59A C58A C57A 120.0 . . ?
C59A C58A C61A 128.3(18) . . ?
C57A C58A C61A 111.7(18) . . ?
C58A C59A C54A 120.0 . . ?
C58A C59A H59A 120.0 . . ?
C54A C59A H59A 120.0 . . ?
N2 Pt1 N1 169.6(9) . . ?
N2 Pt1 C2 81.6(7) . . ?
N1 Pt1 C2 94.1(9) . . ?
N2 Pt1 N4 77.5(6) . . ?
N1 Pt1 N4 106.0(9) . . ?
C2 Pt1 N4 158.9(8) . . ?
N2 Pt1 Pt2 97.7(5) . 5_565 ?
N1 Pt1 Pt2 92.5(8) . 5_565 ?
C2 Pt1 Pt2 100.9(6) . 5_565 ?
N4 Pt1 Pt2 85.0(6) . 5_565 ?
C1 Pt2 N5 169.8(11) . . ?
C1 Pt2 C16 99.0(10) . . ?
N5 Pt2 C16 80.5(6) . . ?
C1 Pt2 N7 103.8(10) . . ?
N5 Pt2 N7 76.6(5) . . ?
C16 Pt2 N7 157.1(6) . . ?
N1 C1 Pt2 167(2) . . ?
C1 N1 Pt1 177(2) . . ?
C3 C2 C7 120.0 . . ?
C3 C2 Pt1 129.8(12) . . ?
C7 C2 Pt1 110.2(12) . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C7 120.0 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 C8 118.7(16) . . ?
C2 C7 C8 121.3(16) . . ?
C9 C8 N2 120.0 . . ?
C9 C8 C7 133.4(12) . . ?
N2 C8 C7 106.5(12) . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 N2 120.0 . . ?
C11 C12 N3 124.5(11) . . ?
N2 C12 N3 115.5(11) . . ?
C12 N2 C8 120.0 . . ?
C12 N2 Pt1 119.7(6) . . ?
C8 N2 Pt1 120.2(6) . . ?
C13 C14 C15 104.8(6) . . ?
C13 C14 H14 127.6 . . ?
C15 C14 H14 127.6 . . ?
C14 C13 N3 109.9(7) . . ?
C14 C13 H13 125.1 . . ?
N3 C13 H13 125.1 . . ?
N4 C15 C14 110.3(6) . . ?
N4 C15 H15 124.9 . . ?
C14 C15 H15 124.9 . . ?
C13 N3 N4 110.3(6) . . ?
C13 N3 C12 136.2(17) . . ?
N4 N3 C12 113.5(16) . . ?
C15 N4 N3 104.7(6) . . ?
C15 N4 Pt1 141.6(14) . . ?
N3 N4 Pt1 113.7(13) . . ?
C17 C16 C21 120.0 . . ?
C17 C16 Pt2 127.1(9) . . ?
C21 C16 Pt2 112.9(9) . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C19 120.0 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C16 120.0 . . ?
C20 C21 C22 120.8(9) . . ?
C16 C21 C22 119.1(9) . . ?
C22 N5 C26 120.0 . . ?
C22 N5 Pt2 119.9(5) . . ?
C26 N5 Pt2 120.0(5) . . ?
C23 C22 N5 120.0 . . ?
C23 C22 C21 132.6(8) . . ?
N5 C22 C21 107.4(8) . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C25 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C26 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 N5 120.0 . . ?
C25 C26 N6 123.4(9) . . ?
N5 C26 N6 116.6(9) . . ?
N6 C27 C28 110.2(7) . . ?
N6 C27 H27 124.9 . . ?
C28 C27 H27 124.9 . . ?
C27 C28 C29 104.2(6) . . ?
C27 C28 H28 127.9 . . ?
C29 C28 H28 127.9 . . ?
N7 C29 C28 109.9(6) . . ?
N7 C29 H29 125.1 . . ?
C28 C29 H29 125.1 . . ?
C27 N6 N7 109.5(6) . . ?
C27 N6 C26 135.4(13) . . ?
N7 N6 C26 115.1(12) . . ?
C29 N7 N6 106.3(7) . . ?
C29 N7 Pt2 142.1(10) . . ?
N6 N7 Pt2 111.5(9) . . ?
F24 C61 F23 109.0(10) . . ?
F24 C61 F22 108.1(10) . . ?
F23 C61 F22 107.6(9) . . ?
F24 C61 C58 108.6(15) . . ?
F23 C61 C58 112.2(15) . . ?
F22 C61 C58 111.4(16) . . ?
F20 C60 F21 104.7(13) . . ?
F20 C60 F19 104.4(13) . . ?
F21 C60 F19 104.2(13) . . ?
F20 C60 C56 112(2) . . ?
F21 C60 C56 115(2) . . ?
F19 C60 C56 114.8(16) . . ?
C55 C54 C59 120.0 . . ?
C55 C54 B1 113.1(12) . . ?
C59 C54 B1 126.9(12) . . ?
C56 C55 C54 120.0 . . ?
C56 C55 H55 120.0 . . ?
C54 C55 H55 120.0 . . ?
C57 C56 C55 120.0 . . ?
C57 C56 C60 120.8(13) . . ?
C55 C56 C60 119.1(13) . . ?
C58 C57 C56 120.0 . . ?
C58 C57 H57 120.0 . . ?
C56 C57 H57 120.0 . . ?
C57 C58 C59 120.0 . . ?
C57 C58 C61 120.5(14) . . ?
C59 C58 C61 119.5(14) . . ?
C58 C59 C54 120.0 . . ?
C58 C59 H59 120.0 . . ?
C54 C59 H59 120.0 . . ?
C33 C32 C31 120.4(10) . . ?
C33 C32 C36 120.0(9) . . ?
C31 C32 C36 119.6(9) . . ?
F14 C52 F13 108.6(12) . . ?
F14 C52 F15 104.5(12) . . ?
F13 C52 F15 103.2(13) . . ?
F14 C52 C48 115.1(13) . . ?
F13 C52 C48 112.9(12) . . ?
F15 C52 C48 111.6(11) . . ?
C54 B1 C38 106.4(11) . . ?
C54 B1 C46 112.1(11) . . ?
C38 B1 C46 108.7(9) . . ?
C54 B1 C30 108.1(11) . . ?
C38 B1 C30 109.3(9) . . ?
C46 B1 C30 112.1(9) . . ?
C38 B1 C54A 121.2(11) . . ?
C46 B1 C54A 100.7(11) . . ?
C30 B1 C54A 104.7(12) . . ?
C47 C46 C51 115.7(9) . . ?
C47 C46 B1 121.1(10) . . ?
C51 C46 B1 123.1(9) . . ?
C50 C51 C46 122.2(9) . . ?
C50 C51 H51 118.9 . . ?
C46 C51 H51 118.9 . . ?
C49 C50 C51 121.2(10) . . ?
C49 C50 C53 118.8(11) . . ?
C51 C50 C53 120.0(10) . . ?
F1A C36 F2A 106.8(13) . . ?
F2 C36 F3 107.3(12) . . ?
F2 C36 F1 104.7(11) . . ?
F3 C36 F1 102.6(11) . . ?
F1A C36 F3A 103.6(11) . . ?
F2A C36 F3A 102.0(11) . . ?
F1A C36 C32 117.8(14) . . ?
F2 C36 C32 114.8(11) . . ?
F2A C36 C32 113.3(14) . . ?
F3 C36 C32 113.2(12) . . ?
F1 C36 C32 113.2(11) . . ?
F3A C36 C32 111.7(11) . . ?
C33 C34 C35 120.6(10) . . ?
C33 C34 C37 119.3(11) . . ?
C35 C34 C37 120.2(11) . . ?
C32 C33 C34 118.4(10) . . ?
C32 C33 H33 120.8 . . ?
C34 C33 H33 120.8 . . ?
C30 C31 C32 122.3(10) . . ?
C30 C31 H31 118.8 . . ?
C32 C31 H31 118.8 . . ?
C34 C35 C30 122.8(10) . . ?
C34 C35 H35 118.6 . . ?
C30 C35 H35 118.6 . . ?
C31 C30 C35 115.6(9) . . ?
C31 C30 B1 121.7(9) . . ?
C35 C30 B1 122.8(9) . . ?
F6 C37 F5 111.3(16) . . ?
F6 C37 F4 105.4(14) . . ?
F5 C37 F4 96.4(13) . . ?
F6 C37 C34 116.5(12) . . ?
F5 C37 C34 112.6(13) . . ?
F4 C37 C34 112.5(13) . . ?
C43 C38 C39 115.1(12) . . ?
C43 C38 B1 122.3(12) . . ?
C39 C38 B1 122.3(10) . . ?
C40 C39 C38 123.5(12) . . ?
C40 C39 H39 118.3 . . ?
C38 C39 H39 118.3 . . ?
C41 C40 C39 118.9(13) . . ?
C41 C40 C44 122.7(14) . . ?
C39 C40 C44 118.3(12) . . ?
C42 C41 C40 120.4(13) . . ?
C42 C41 H41 119.8 . . ?
C40 C41 H41 119.8 . . ?
C41 C42 C43 120.2(12) . . ?
C41 C42 C45 122.2(14) . . ?
C43 C42 C45 117.6(15) . . ?
C38 C43 C42 122.0(14) . . ?
C38 C43 H43 119.0 . . ?
C42 C43 H43 119.0 . . ?
F7 C44 F8 106.4(15) . . ?
F7 C44 F9 109.7(14) . . ?
F8 C44 F9 101.7(12) . . ?
F7 C44 C40 114.3(11) . . ?
F8 C44 C40 113.8(12) . . ?
F9 C44 C40 110.2(14) . . ?
F11 C45 F12 107.9(10) . . ?
F11 C45 F10 107.2(9) . . ?
F12 C45 F10 107.2(9) . . ?
F11 C45 C42 111.9(12) . . ?
F12 C45 C42 110.9(13) . . ?
F10 C45 C42 111.5(12) . . ?
C48 C47 C46 122.0(10) . . ?
C48 C47 H47 119.0 . . ?
C46 C47 H47 119.0 . . ?
C47 C48 C49 121.4(9) . . ?
C47 C48 C52 118.9(11) . . ?
C49 C48 C52 119.7(11) . . ?
C50 C49 C48 117.5(10) . . ?
C50 C49 H49 121.3 . . ?
C48 C49 H49 121.3 . . ?
F16 C53 F17 102.9(16) . . ?
F16 C53 F18 112.0(14) . . ?
F17 C53 F18 97.8(13) . . ?
F16 C53 C50 115.6(12) . . ?
F17 C53 C50 112.4(14) . . ?
F18 C53 C50 114.1(13) . . ?

_refine_diff_density_max         4.563
_refine_diff_density_min         -2.840
_refine_diff_density_rms         0.146


_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2285473'
loop_
_audit_author_name
_audit_author_address
'Igor Koshevoy'
;University of Eastern Finland
Finland
;
_audit_update_record             
;
2023-07-30 deposited with the CCDC.	2024-01-24 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT430_3                   
;
PROBLEM: Short Inter D...A Contact  N1       ..N1       .       1.15 Ang.
RESPONSE: These are cyanide groups with two equally possible orientations.
;
_vrf_PLAT430_3_2                 
;
PROBLEM: Short Inter D...A Contact  N6       ..N6       .       1.15 Ang.
RESPONSE: These are cyanide groups with two equally possible orientations.
;
# Added during the CSD deposition process: Sunday 30 July 2023 05:52 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C32 H12 B F24, 2(C20.50 H15 N4.50 Pt), C H2 Cl2'
_chemical_formula_sum            'C74 H44 B Cl2 F24 N9 Pt2'
_chemical_formula_weight         1987.07

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8326(5)
_cell_length_b                   18.8796(9)
_cell_length_c                   20.8423(11)
_cell_angle_alpha                63.426(2)
_cell_angle_beta                 78.863(2)
_cell_angle_gamma                73.683(2)
_cell_volume                     3647.4(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9344
_cell_measurement_theta_min      3.29
_cell_measurement_theta_max      36.95

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.809
_exptl_crystal_F_000             1924
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.703
_exptl_crystal_size_mid          0.263
_exptl_crystal_size_min          0.106
_exptl_absorpt_coefficient_mu    4.017
_shelx_estimated_absorpt_T_min   0.165
_shelx_estimated_absorpt_T_max   0.675
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.165
_exptl_absorpt_correction_T_max  0.675
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_reflns_number            110532
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.965
_diffrn_reflns_theta_max         35.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             32025
_reflns_number_gt                25877
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-2018 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond v.4.03 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2018 (Sheldrick, 2018)'

_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)+(0.0286P)²+3.8313P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         32025
_refine_ls_number_parameters     1065
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0260
_refine_ls_wR_factor_ref         0.0662
_refine_ls_wR_factor_gt          0.0605
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

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
C1 C 0.47912(18) 0.47399(11) 0.50229(11) 0.0247(3) Uani 0.5 1 d . . P . .
N1 N 0.47912(18) 0.47399(11) 0.50229(11) 0.0247(3) Uani 0.5 1 d . . P . .
C2 C 0.5335(2) 0.36670(13) 0.42987(11) 0.0273(4) Uani 1 1 d . . . . .
C3 C 0.6403(2) 0.39964(15) 0.39326(13) 0.0340(5) Uani 1 1 d . . . . .
H3 H 0.659440 0.440017 0.402740 0.041 Uiso 1 1 calc R U . . .
C4 C 0.7193(3) 0.37389(18) 0.34284(15) 0.0438(6) Uani 1 1 d . . . . .
H4 H 0.792044 0.396647 0.318595 0.053 Uiso 1 1 calc R U . . .
C5 C 0.6928(3) 0.3156(2) 0.32785(15) 0.0478(7) Uani 1 1 d . . . . .
H5 H 0.747324 0.298596 0.293439 0.057 Uiso 1 1 calc R U . . .
C6 C 0.5876(3) 0.28217(17) 0.36263(14) 0.0404(6) Uani 1 1 d . . . . .
H6 H 0.568682 0.242805 0.351670 0.048 Uiso 1 1 calc R U . . .
C7 C 0.5086(2) 0.30648(14) 0.41430(12) 0.0294(4) Uani 1 1 d . . . . .
C8 C 0.3999(2) 0.27022(13) 0.45675(12) 0.0281(4) Uani 1 1 d . . . . .
C9 C 0.3539(3) 0.20920(15) 0.45503(15) 0.0357(5) Uani 1 1 d . . . . .
H9 H 0.392163 0.186783 0.421226 0.043 Uiso 1 1 calc R U . . .
C10 C 0.2519(3) 0.18142(15) 0.50305(15) 0.0369(5) Uani 1 1 d . . . . .
H10 H 0.221541 0.139092 0.502611 0.044 Uiso 1 1 calc R U . . .
C11 C 0.1937(2) 0.21502(14) 0.55188(14) 0.0336(5) Uani 1 1 d . . . . .
H11 H 0.123380 0.196442 0.584541 0.040 Uiso 1 1 calc R U . . .
C12 C 0.2409(2) 0.27627(12) 0.55163(11) 0.0253(4) Uani 1 1 d . . . . .
C13 C 0.1960(2) 0.31870(12) 0.59851(11) 0.0233(3) Uani 1 1 d . . . . .
C14 C 0.1042(2) 0.31557(13) 0.65366(12) 0.0268(4) Uani 1 1 d . . . . .
H14 H 0.042497 0.282576 0.672349 0.032 Uiso 1 1 calc R U . . .
C15 C 0.0438(2) 0.38982(16) 0.73434(13) 0.0325(5) Uani 1 1 d . . . . .
H15A H -0.031905 0.364665 0.750656 0.039 Uiso 1 1 calc R U . . .
H15B H 0.011250 0.449447 0.715108 0.039 Uiso 1 1 calc R U . . .
C16 C 0.11881(19) 0.36274(13) 0.79808(11) 0.0247(4) Uani 1 1 d . . . . .
C17 C 0.0918(3) 0.41116(17) 0.83511(15) 0.0398(6) Uani 1 1 d . . . . .
H17 H 0.031114 0.461671 0.818038 0.048 Uiso 1 1 calc R U . . .
C18 C 0.1518(3) 0.3871(2) 0.89655(17) 0.0505(7) Uani 1 1 d . . . . .
H18 H 0.132196 0.420830 0.921587 0.061 Uiso 1 1 calc R U . . .
C19 C 0.2401(3) 0.3142(2) 0.92152(14) 0.0440(6) Uani 1 1 d . . . . .
H19 H 0.281175 0.297345 0.963962 0.053 Uiso 1 1 calc R U . . .
C20 C 0.2688(3) 0.26560(16) 0.88476(14) 0.0380(5) Uani 1 1 d . . . . .
H20 H 0.330473 0.215511 0.901627 0.046 Uiso 1 1 calc R U . . .
C21 C 0.2079(2) 0.28963(14) 0.82329(13) 0.0309(4) Uani 1 1 d . . . . .
H21 H 0.227513 0.255745 0.798378 0.037 Uiso 1 1 calc R U . . .
C22 C 0.95800(16) 0.49312(11) 0.52179(10) 0.0222(3) Uani 0.5 1 d . . P . .
N6 N 0.95800(16) 0.49312(11) 0.52179(10) 0.0222(3) Uani 0.5 1 d . . P . .
C23 C 0.81597(18) 0.54690(12) 0.63380(11) 0.0219(3) Uani 1 1 d . . . . .
C24 C 0.8998(2) 0.59840(13) 0.61587(13) 0.0271(4) Uani 1 1 d . . . . .
H24 H 0.965092 0.601435 0.577644 0.033 Uiso 1 1 calc R U . . .
C25 C 0.8886(2) 0.64542(14) 0.65350(14) 0.0342(5) Uani 1 1 d . . . . .
H25 H 0.946762 0.679913 0.640837 0.041 Uiso 1 1 calc R U . . .
C26 C 0.7939(3) 0.64237(16) 0.70907(15) 0.0372(5) Uani 1 1 d . . . . .
H26 H 0.787037 0.674669 0.734368 0.045 Uiso 1 1 calc R U . . .
C27 C 0.7089(2) 0.59210(15) 0.72778(13) 0.0320(4) Uani 1 1 d . . . . .
H27 H 0.643452 0.590086 0.765788 0.038 Uiso 1 1 calc R U . . .
C28 C 0.71944(19) 0.54464(12) 0.69086(11) 0.0235(3) Uani 1 1 d . . . . .
C29 C 0.63465(18) 0.48859(12) 0.70848(10) 0.0226(3) Uani 1 1 d . . . . .
C30 C 0.5276(2) 0.47622(14) 0.75782(12) 0.0289(4) Uani 1 1 d . . . . .
H30 H 0.500208 0.506380 0.786248 0.035 Uiso 1 1 calc R U . . .
C31 C 0.4610(2) 0.41988(15) 0.76539(13) 0.0311(4) Uani 1 1 d . . . . .
H31 H 0.387145 0.412126 0.798623 0.037 Uiso 1 1 calc R U . . .
C32 C 0.5012(2) 0.37430(14) 0.72471(12) 0.0286(4) Uani 1 1 d . . . . .
H32 H 0.456045 0.335322 0.729947 0.034 Uiso 1 1 calc R U . . .
C33 C 0.60859(17) 0.38753(12) 0.67660(11) 0.0218(3) Uani 1 1 d . . . . .
C34 C 0.67047(18) 0.34587(12) 0.63005(11) 0.0224(3) Uani 1 1 d . . . . .
C35 C 0.65547(19) 0.28124(13) 0.62087(12) 0.0248(4) Uani 1 1 d . . . . .
H35 H 0.591771 0.250008 0.644104 0.030 Uiso 1 1 calc R U . . .
C36 C 0.7841(2) 0.21376(14) 0.53835(13) 0.0302(4) Uani 1 1 d . . . . .
H36A H 0.878946 0.198991 0.529323 0.036 Uiso 1 1 calc R U . . .
H36B H 0.746055 0.239916 0.491408 0.036 Uiso 1 1 calc R U . . .
C37 C 0.7352(2) 0.13783(12) 0.58534(12) 0.0253(4) Uani 1 1 d . . . . .
C38 C 0.6507(2) 0.11586(15) 0.55903(14) 0.0328(5) Uani 1 1 d . . . . .
H38 H 0.623668 0.148976 0.511840 0.039 Uiso 1 1 calc R U . . .
C39 C 0.6056(3) 0.04565(18) 0.60136(18) 0.0440(6) Uani 1 1 d . . . . .
H39 H 0.548063 0.030718 0.582981 0.053 Uiso 1 1 calc R U . . .
C40 C 0.6441(3) -0.00265(16) 0.67026(17) 0.0447(6) Uani 1 1 d . . . . .
H40 H 0.612301 -0.050311 0.699473 0.054 Uiso 1 1 calc R U . . .
C41 C 0.7291(3) 0.01878(15) 0.69630(14) 0.0384(5) Uani 1 1 d . . . . .
H41 H 0.756264 -0.014484 0.743462 0.046 Uiso 1 1 calc R U . . .
C42 C 0.7749(2) 0.08834(14) 0.65419(13) 0.0321(4) Uani 1 1 d . . . . .
H42 H 0.833924 0.102423 0.672388 0.039 Uiso 1 1 calc R U . . .
C43 C 0.10499(17) 0.76415(11) 0.90694(10) 0.0192(3) Uani 1 1 d . . . . .
C44 C 0.12520(19) 0.75592(12) 0.97429(11) 0.0232(3) Uani 1 1 d . . . . .
H44 H 0.072660 0.793761 0.992232 0.028 Uiso 1 1 calc R U . . .
C45 C 0.2201(2) 0.69386(13) 1.01609(11) 0.0264(4) Uani 1 1 d . . . . .
C46 C 0.2986(2) 0.63683(13) 0.99232(12) 0.0274(4) Uani 1 1 d . . . . .
H46 H 0.362477 0.594099 1.021091 0.033 Uiso 1 1 calc R U . . .
C47 C 0.28106(18) 0.64412(13) 0.92568(12) 0.0245(4) Uani 1 1 d . . . . .
C48 C 0.18704(18) 0.70675(12) 0.88383(11) 0.0224(3) Uani 1 1 d . . . . .
H48 H 0.178301 0.710640 0.837807 0.027 Uiso 1 1 calc R U . . .
C49 C 0.2396(3) 0.68666(17) 1.08811(15) 0.0432(6) Uani 1 1 d . . . . .
C50 C 0.3635(2) 0.58706(16) 0.89515(15) 0.0373(5) Uani 1 1 d . . . . .
C51 C -0.05556(17) 0.91301(11) 0.87279(10) 0.0193(3) Uani 1 1 d . . . . .
C52 C -0.0265(2) 0.98727(12) 0.82380(11) 0.0238(3) Uani 1 1 d . . . . .
H52 H 0.017500 0.991318 0.778619 0.029 Uiso 1 1 calc R U . . .
C53 C -0.0594(2) 1.05547(13) 0.83844(12) 0.0293(4) Uani 1 1 d . . . . .
C54 C -0.1236(2) 1.05317(13) 0.90329(13) 0.0310(4) Uani 1 1 d . . . . .
H54 H -0.144821 1.099523 0.913668 0.037 Uiso 1 1 calc R U . . .
C55 C -0.1557(2) 0.98069(13) 0.95253(12) 0.0269(4) Uani 1 1 d . . . . .
C56 C -0.12304(19) 0.91245(12) 0.93789(11) 0.0234(3) Uani 1 1 d . . . . .
H56 H -0.146973 0.863884 0.972919 0.028 Uiso 1 1 calc R U . . .
C57 C -0.0242(3) 1.13298(16) 0.78352(15) 0.0473(7) Uani 1 1 d D . . . .
C58 C -0.2286(3) 0.97621(16) 1.02260(15) 0.0403(6) Uani 1 1 d . . . . .
C59 C 0.03798(17) 0.85442(11) 0.77293(10) 0.0193(3) Uani 1 1 d . . . . .
C60 C 0.15451(18) 0.87964(12) 0.74549(11) 0.0229(3) Uani 1 1 d . . . . .
H60 H 0.206557 0.879255 0.777525 0.027 Uiso 1 1 calc R U . . .
C61 C 0.19665(19) 0.90534(13) 0.67256(11) 0.0251(4) Uani 1 1 d . . . . .
C62 C 0.1256(2) 0.90528(13) 0.62437(11) 0.0258(4) Uani 1 1 d . . . . .
H62 H 0.153861 0.923107 0.574700 0.031 Uiso 1 1 calc R U . . .
C63 C 0.01172(19) 0.87842(12) 0.65063(11) 0.0228(3) Uani 1 1 d . . . . .
C64 C -0.03136(18) 0.85402(11) 0.72283(10) 0.0206(3) Uani 1 1 d . . . . .
H64 H -0.110316 0.836475 0.738855 0.025 Uiso 1 1 calc R U . . .
C65 C 0.3184(2) 0.93588(16) 0.64732(14) 0.0355(5) Uani 1 1 d . . . . .
C66 C -0.0652(2) 0.87722(16) 0.59895(13) 0.0331(5) Uani 1 1 d . . . . .
C67 C -0.13439(17) 0.78648(11) 0.87709(10) 0.0190(3) Uani 1 1 d . . . . .
C68 C -0.11399(18) 0.70444(12) 0.89045(11) 0.0222(3) Uani 1 1 d . . . . .
H68 H -0.027976 0.673157 0.892411 0.027 Uiso 1 1 calc R U . . .
C69 C -0.2144(2) 0.66718(12) 0.90090(12) 0.0256(4) Uani 1 1 d . . . . .
C70 C -0.3417(2) 0.70998(14) 0.89923(12) 0.0285(4) Uani 1 1 d . . . . .
H70 H -0.410634 0.684684 0.906333 0.034 Uiso 1 1 calc R U . . .
C71 C -0.36477(19) 0.79055(13) 0.88690(12) 0.0261(4) Uani 1 1 d . . . . .
C72 C -0.26377(18) 0.82829(11) 0.87583(11) 0.0220(3) Uani 1 1 d . . . . .
H72 H -0.283411 0.883972 0.867184 0.026 Uiso 1 1 calc R U . . .
C73 C -0.1835(3) 0.57904(14) 0.91590(15) 0.0358(5) Uani 1 1 d . . . . .
C74 C -0.5007(2) 0.83829(16) 0.88640(16) 0.0421(6) Uani 1 1 d D . . . .
C75 C 0.4566(4) 0.1011(3) 0.7901(3) 0.0872(15) Uani 1 1 d . . . . .
H75A H 0.494398 0.048161 0.787370 0.105 Uiso 1 1 calc R U . . .
H75B H 0.383949 0.093494 0.827775 0.105 Uiso 1 1 calc R U . . .
N2 N 0.34163(17) 0.30122(10) 0.50543(9) 0.0235(3) Uani 1 1 d . . . . .
N3 N 0.26144(16) 0.37588(10) 0.58988(9) 0.0232(3) Uani 1 1 d . . . . .
N4 N 0.21420(17) 0.40656(11) 0.63715(10) 0.0251(3) Uani 1 1 d . . . . .
N5 N 0.11891(17) 0.36899(12) 0.67622(10) 0.0269(3) Uani 1 1 d . . . . .
N7 N 0.67070(14) 0.44421(10) 0.66917(9) 0.0201(3) Uani 1 1 d . . . . .
N8 N 0.77341(15) 0.37238(10) 0.58464(9) 0.0223(3) Uani 1 1 d . . . . .
N9 N 0.82350(17) 0.32733(11) 0.54899(10) 0.0250(3) Uani 1 1 d . . . . .
N10 N 0.75190(17) 0.27205(11) 0.57127(10) 0.0245(3) Uani 1 1 d . . . . .
B1 B -0.01255(19) 0.83058(12) 0.85782(11) 0.0179(3) Uani 1 1 d . . . . .
F1 F 0.29698(16) 0.56203(11) 0.86481(10) 0.0482(4) Uani 1 1 d . . . . .
F2 F 0.44832(19) 0.62228(15) 0.84229(14) 0.0728(7) Uani 1 1 d . . . . .
F3 F 0.4313(2) 0.52074(14) 0.94273(12) 0.0808(8) Uani 1 1 d . . . . .
F4 F 0.1578(4) 0.74177(18) 1.10665(15) 0.1330(16) Uani 1 1 d . . . . .
F5 F 0.3576(3) 0.6883(2) 1.09264(12) 0.1009(11) Uani 1 1 d . . . . .
F6 F 0.2222(2) 0.61747(15) 1.14136(10) 0.0707(6) Uani 1 1 d . . . . .
F7 F 0.0256(10) 1.1316(3) 0.7232(2) 0.082(3) Uani 0.562(12) 1 d D . P A 1
F8 F 0.0282(10) 1.1684(6) 0.8054(4) 0.072(3) Uani 0.562(12) 1 d D . P A 1
F9 F -0.1406(6) 1.1929(3) 0.7613(5) 0.094(2) Uani 0.562(12) 1 d D . P A 1
F9A F 0.1116(7) 1.1149(3) 0.7619(7) 0.090(4) Uani 0.438(12) 1 d D . P A 2
F7A F -0.0728(14) 1.1669(6) 0.7267(4) 0.107(6) Uani 0.438(12) 1 d D . P A 2
F8A F -0.0177(12) 1.1817(7) 0.8094(6) 0.077(4) Uani 0.438(12) 1 d D . P A 2
F10 F -0.2196(3) 1.03388(14) 1.04008(12) 0.0795(8) Uani 1 1 d . . . . .
F11 F -0.1848(3) 0.90795(13) 1.07815(10) 0.0709(7) Uani 1 1 d . . . . .
F12 F -0.3501(2) 0.9776(2) 1.02381(14) 0.0967(10) Uani 1 1 d . . . . .
F13 F 0.41916(16) 0.88179(13) 0.68226(12) 0.0580(5) Uani 1 1 d . . . . .
F14 F 0.3531(2) 0.95414(16) 0.57815(10) 0.0709(7) Uani 1 1 d . . . . .
F15 F 0.3094(2) 1.00169(13) 0.65734(14) 0.0698(7) Uani 1 1 d . . . . .
F16 F 0.00348(19) 0.83199(17) 0.56453(13) 0.0752(7) Uani 1 1 d . . . . .
F17 F -0.16960(15) 0.84716(11) 0.62948(9) 0.0421(4) Uani 1 1 d . . . . .
F18 F -0.1078(2) 0.95114(13) 0.54873(10) 0.0649(6) Uani 1 1 d . . . . .
F19 F -0.0782(2) 0.55968(12) 0.87617(14) 0.0698(6) Uani 1 1 d . . . . .
F20 F -0.2761(2) 0.55685(11) 0.90090(12) 0.0570(5) Uani 1 1 d . . . . .
F21 F -0.1579(2) 0.53081(10) 0.98329(11) 0.0665(6) Uani 1 1 d . . . . .
F22 F -0.5803(4) 0.8095(3) 0.8663(5) 0.089(3) Uani 0.615(11) 1 d D . P B 1
F23 F -0.5483(5) 0.8281(5) 0.9519(3) 0.102(3) Uani 0.615(11) 1 d D . P B 1
F24 F -0.5175(3) 0.9125(2) 0.8462(4) 0.088(3) Uani 0.615(11) 1 d D . P B 1
F24A F -0.5141(5) 0.8984(6) 0.9076(7) 0.088(5) Uani 0.385(11) 1 d D . P B 2
F23A F -0.5847(5) 0.8011(4) 0.9225(7) 0.085(5) Uani 0.385(11) 1 d D . P B 2
F22A F -0.5370(8) 0.8822(8) 0.8197(4) 0.111(6) Uani 0.385(11) 1 d D . P B 2
Pt1 Pt 0.40869(2) 0.38810(2) 0.50596(2) 0.02090(2) Uani 1 1 d . . . . .
Pt2 Pt 0.81556(2) 0.46807(2) 0.59491(2) 0.01882(2) Uani 1 1 d . . . . .
Cl1 Cl 0.39878(10) 0.16840(7) 0.71110(7) 0.0787(3) Uani 1 1 d . . . . .
Cl2 Cl 0.57127(16) 0.12825(14) 0.81546(8) 0.1323(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C1 1.152(4) 2_666 ?
C1 Pt1 1.9440(19) . ?
C2 C3 1.395(3) . ?
C2 C7 1.416(3) . ?
C2 Pt1 1.986(2) . ?
C3 C4 1.396(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.382(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.378(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.403(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.465(3) . ?
C8 N2 1.359(3) . ?
C8 C9 1.394(3) . ?
C9 C10 1.388(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.393(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.387(3) . ?
C11 H11 0.9500 . ?
C12 N2 1.348(3) . ?
C12 C13 1.460(3) . ?
C13 C14 1.358(3) . ?
C13 N3 1.381(2) . ?
C14 N5 1.345(3) . ?
C14 H14 0.9500 . ?
C15 N5 1.466(3) . ?
C15 C16 1.504(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.382(3) . ?
C16 C21 1.383(3) . ?
C17 C18 1.380(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.375(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.379(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.386(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C22 1.150(3) 2_766 ?
C22 Pt2 1.9452(17) . ?
C23 C24 1.396(3) . ?
C23 C28 1.417(3) . ?
C23 Pt2 1.989(2) . ?
C24 C25 1.394(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.386(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.390(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.472(3) . ?
C29 N7 1.354(3) . ?
C29 C30 1.391(3) . ?
C30 C31 1.383(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.396(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.382(3) . ?
C32 H32 0.9500 . ?
C33 N7 1.356(3) . ?
C33 C34 1.464(3) . ?
C34 N8 1.368(2) . ?
C34 C35 1.373(3) . ?
C35 N10 1.353(3) . ?
C35 H35 0.9500 . ?
C36 N10 1.473(3) . ?
C36 C37 1.505(3) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.385(3) . ?
C37 C42 1.389(3) . ?
C38 C39 1.388(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.383(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.380(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.381(4) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.395(3) . ?
C43 C48 1.399(3) . ?
C43 B1 1.643(3) . ?
C44 C45 1.395(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.389(3) . ?
C45 C49 1.497(3) . ?
C46 C47 1.379(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.393(3) . ?
C47 C50 1.489(3) . ?
C48 H48 0.9500 . ?
C49 F5 1.309(4) . ?
C49 F4 1.314(4) . ?
C49 F6 1.317(4) . ?
C50 F3 1.321(3) . ?
C50 F1 1.333(3) . ?
C50 F2 1.341(3) . ?
C51 C52 1.397(3) . ?
C51 C56 1.409(3) . ?
C51 B1 1.645(3) . ?
C52 C53 1.389(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.383(3) . ?
C53 C57 1.497(3) . ?
C54 C55 1.386(3) . ?
C54 H54 0.9500 . ?
C55 C56 1.390(3) . ?
C55 C58 1.498(3) . ?
C56 H56 0.9500 . ?
C57 F7A 1.209(6) . ?
C57 F8 1.251(6) . ?
C57 F7 1.277(5) . ?
C57 F8A 1.279(7) . ?
C57 F9 1.428(6) . ?
C57 F9A 1.444(6) . ?
C58 F12 1.304(4) . ?
C58 F10 1.325(3) . ?
C58 F11 1.327(3) . ?
C59 C60 1.401(3) . ?
C59 C64 1.403(3) . ?
C59 B1 1.638(3) . ?
C60 C61 1.397(3) . ?
C60 H60 0.9500 . ?
C61 C62 1.379(3) . ?
C61 C65 1.495(3) . ?
C62 C63 1.386(3) . ?
C62 H62 0.9500 . ?
C63 C64 1.387(3) . ?
C63 C66 1.495(3) . ?
C64 H64 0.9500 . ?
C65 F15 1.324(3) . ?
C65 F14 1.326(3) . ?
C65 F13 1.334(3) . ?
C66 F17 1.329(3) . ?
C66 F18 1.332(3) . ?
C66 F16 1.335(3) . ?
C67 C72 1.401(3) . ?
C67 C68 1.404(3) . ?
C67 B1 1.646(3) . ?
C68 C69 1.388(3) . ?
C68 H68 0.9500 . ?
C69 C70 1.386(3) . ?
C69 C73 1.497(3) . ?
C70 C71 1.380(3) . ?
C70 H70 0.9500 . ?
C71 C72 1.397(3) . ?
C71 C74 1.494(3) . ?
C72 H72 0.9500 . ?
C73 F21 1.321(3) . ?
C73 F20 1.324(3) . ?
C73 F19 1.339(3) . ?
C74 F23A 1.228(5) . ?
C74 F24 1.250(4) . ?
C74 F23 1.310(5) . ?
C74 F22A 1.331(6) . ?
C74 F22 1.350(4) . ?
C74 F24A 1.354(6) . ?
C75 Cl1 1.673(5) . ?
C75 Cl2 1.715(6) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
N2 Pt1 1.9766(17) . ?
N3 N4 1.310(2) . ?
N3 Pt1 2.1034(17) . ?
N4 N5 1.342(3) . ?
N7 Pt2 1.9738(15) . ?
N8 N9 1.312(2) . ?
N8 Pt2 2.0892(17) . ?
N9 N10 1.337(2) . ?

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
C1 C1 Pt1 177.8(3) 2_666 . ?
C3 C2 C7 117.8(2) . . ?
C3 C2 Pt1 129.73(19) . . ?
C7 C2 Pt1 112.40(16) . . ?
C2 C3 C4 120.7(3) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 120.7(3) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C6 C5 C4 120.2(3) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C7 119.7(3) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C6 C7 C2 120.9(2) . . ?
C6 C7 C8 123.0(2) . . ?
C2 C7 C8 116.10(19) . . ?
N2 C8 C9 118.3(2) . . ?
N2 C8 C7 112.15(19) . . ?
C9 C8 C7 129.5(2) . . ?
C10 C9 C8 119.5(2) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C9 C10 C11 120.6(2) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C12 C11 C10 118.3(2) . . ?
C12 C11 H11 120.8 . . ?
C10 C11 H11 120.8 . . ?
N2 C12 C11 120.0(2) . . ?
N2 C12 C13 112.57(17) . . ?
C11 C12 C13 127.4(2) . . ?
C14 C13 N3 106.65(18) . . ?
C14 C13 C12 136.31(19) . . ?
N3 C13 C12 117.00(18) . . ?
N5 C14 C13 105.52(18) . . ?
N5 C14 H14 127.2 . . ?
C13 C14 H14 127.2 . . ?
N5 C15 C16 113.84(17) . . ?
N5 C15 H15A 108.8 . . ?
C16 C15 H15A 108.8 . . ?
N5 C15 H15B 108.8 . . ?
C16 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
C17 C16 C21 118.9(2) . . ?
C17 C16 C15 118.2(2) . . ?
C21 C16 C15 122.7(2) . . ?
C18 C17 C16 120.8(2) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C19 C18 C17 120.0(3) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 119.8(3) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C19 C20 C21 120.2(2) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C16 C21 C20 120.3(2) . . ?
C16 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C22 C22 Pt2 178.8(2) 2_766 . ?
C24 C23 C28 117.82(19) . . ?
C24 C23 Pt2 129.71(16) . . ?
C28 C23 Pt2 112.36(14) . . ?
C25 C24 C23 120.7(2) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C26 C25 C24 120.7(2) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C25 C26 C27 119.9(2) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C26 C27 C28 119.9(2) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 C23 121.0(2) . . ?
C27 C28 C29 123.15(19) . . ?
C23 C28 C29 115.84(18) . . ?
N7 C29 C30 118.24(19) . . ?
N7 C29 C28 112.12(16) . . ?
C30 C29 C28 129.63(19) . . ?
C31 C30 C29 119.8(2) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 120.71(19) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C33 C32 C31 118.1(2) . . ?
C33 C32 H32 121.0 . . ?
C31 C32 H32 121.0 . . ?
N7 C33 C32 120.11(19) . . ?
N7 C33 C34 111.99(16) . . ?
C32 C33 C34 127.89(19) . . ?
N8 C34 C35 107.14(17) . . ?
N8 C34 C33 116.83(17) . . ?
C35 C34 C33 135.96(18) . . ?
N10 C35 C34 104.43(17) . . ?
N10 C35 H35 127.8 . . ?
C34 C35 H35 127.8 . . ?
N10 C36 C37 112.21(18) . . ?
N10 C36 H36A 109.2 . . ?
C37 C36 H36A 109.2 . . ?
N10 C36 H36B 109.2 . . ?
C37 C36 H36B 109.2 . . ?
H36A C36 H36B 107.9 . . ?
C38 C37 C42 119.2(2) . . ?
C38 C37 C36 119.5(2) . . ?
C42 C37 C36 121.3(2) . . ?
C37 C38 C39 120.2(2) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 H38 119.9 . . ?
C40 C39 C38 120.2(3) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C41 C40 C39 119.6(2) . . ?
C41 C40 H40 120.2 . . ?
C39 C40 H40 120.2 . . ?
C40 C41 C42 120.4(2) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C41 C42 C37 120.4(2) . . ?
C41 C42 H42 119.8 . . ?
C37 C42 H42 119.8 . . ?
C44 C43 C48 115.66(17) . . ?
C44 C43 B1 124.77(16) . . ?
C48 C43 B1 119.40(16) . . ?
C45 C44 C43 122.04(18) . . ?
C45 C44 H44 119.0 . . ?
C43 C44 H44 119.0 . . ?
C46 C45 C44 121.03(19) . . ?
C46 C45 C49 118.2(2) . . ?
C44 C45 C49 120.8(2) . . ?
C47 C46 C45 117.94(19) . . ?
C47 C46 H46 121.0 . . ?
C45 C46 H46 121.0 . . ?
C46 C47 C48 120.78(18) . . ?
C46 C47 C50 121.48(19) . . ?
C48 C47 C50 117.72(19) . . ?
C47 C48 C43 122.53(18) . . ?
C47 C48 H48 118.7 . . ?
C43 C48 H48 118.7 . . ?
F5 C49 F4 109.3(3) . . ?
F5 C49 F6 104.0(2) . . ?
F4 C49 F6 103.6(3) . . ?
F5 C49 C45 112.5(3) . . ?
F4 C49 C45 113.4(2) . . ?
F6 C49 C45 113.3(2) . . ?
F3 C50 F1 106.2(2) . . ?
F3 C50 F2 106.6(2) . . ?
F1 C50 F2 104.6(2) . . ?
F3 C50 C47 113.9(2) . . ?
F1 C50 C47 113.36(19) . . ?
F2 C50 C47 111.5(2) . . ?
C52 C51 C56 115.17(17) . . ?
C52 C51 B1 123.45(16) . . ?
C56 C51 B1 121.37(16) . . ?
C53 C52 C51 122.67(19) . . ?
C53 C52 H52 118.7 . . ?
C51 C52 H52 118.7 . . ?
C54 C53 C52 121.2(2) . . ?
C54 C53 C57 119.0(2) . . ?
C52 C53 C57 119.8(2) . . ?
C53 C54 C55 117.47(19) . . ?
C53 C54 H54 121.3 . . ?
C55 C54 H54 121.3 . . ?
C54 C55 C56 121.36(19) . . ?
C54 C55 C58 119.2(2) . . ?
C56 C55 C58 119.4(2) . . ?
C55 C56 C51 122.11(19) . . ?
C55 C56 H56 118.9 . . ?
C51 C56 H56 118.9 . . ?
F8 C57 F7 114.3(5) . . ?
F7A C57 F8A 113.4(7) . . ?
F8 C57 F9 99.6(5) . . ?
F7 C57 F9 100.1(4) . . ?
F7A C57 F9A 102.7(6) . . ?
F8A C57 F9A 96.2(6) . . ?
F7A C57 C53 118.8(4) . . ?
F8 C57 C53 116.7(5) . . ?
F7 C57 C53 114.9(3) . . ?
F8A C57 C53 114.3(6) . . ?
F9 C57 C53 108.3(3) . . ?
F9A C57 C53 108.0(3) . . ?
F12 C58 F10 109.2(3) . . ?
F12 C58 F11 104.8(3) . . ?
F10 C58 F11 103.7(3) . . ?
F12 C58 C55 112.2(2) . . ?
F10 C58 C55 113.4(2) . . ?
F11 C58 C55 112.8(2) . . ?
C60 C59 C64 115.63(17) . . ?
C60 C59 B1 120.53(17) . . ?
C64 C59 B1 123.81(16) . . ?
C61 C60 C59 122.13(19) . . ?
C61 C60 H60 118.9 . . ?
C59 C60 H60 118.9 . . ?
C62 C61 C60 120.94(18) . . ?
C62 C61 C65 120.6(2) . . ?
C60 C61 C65 118.5(2) . . ?
C61 C62 C63 117.95(18) . . ?
C61 C62 H62 121.0 . . ?
C63 C62 H62 121.0 . . ?
C62 C63 C64 121.24(19) . . ?
C62 C63 C66 118.35(19) . . ?
C64 C63 C66 120.40(19) . . ?
C63 C64 C59 122.07(18) . . ?
C63 C64 H64 119.0 . . ?
C59 C64 H64 119.0 . . ?
F15 C65 F14 107.0(2) . . ?
F15 C65 F13 105.6(2) . . ?
F14 C65 F13 105.5(2) . . ?
F15 C65 C61 112.2(2) . . ?
F14 C65 C61 113.3(2) . . ?
F13 C65 C61 112.7(2) . . ?
F17 C66 F18 105.4(2) . . ?
F17 C66 F16 105.5(2) . . ?
F18 C66 F16 106.9(2) . . ?
F17 C66 C63 114.06(19) . . ?
F18 C66 C63 112.4(2) . . ?
F16 C66 C63 112.0(2) . . ?
C72 C67 C68 115.32(17) . . ?
C72 C67 B1 123.31(16) . . ?
C68 C67 B1 121.18(16) . . ?
C69 C68 C67 122.65(18) . . ?
C69 C68 H68 118.7 . . ?
C67 C68 H68 118.7 . . ?
C70 C69 C68 120.90(19) . . ?
C70 C69 C73 120.2(2) . . ?
C68 C69 C73 118.9(2) . . ?
C71 C70 C69 117.75(19) . . ?
C71 C70 H70 121.1 . . ?
C69 C70 H70 121.1 . . ?
C70 C71 C72 121.42(18) . . ?
C70 C71 C74 119.41(19) . . ?
C72 C71 C74 119.2(2) . . ?
C71 C72 C67 121.96(18) . . ?
C71 C72 H72 119.0 . . ?
C67 C72 H72 119.0 . . ?
F21 C73 F20 107.9(2) . . ?
F21 C73 F19 105.1(2) . . ?
F20 C73 F19 105.2(2) . . ?
F21 C73 C69 112.8(2) . . ?
F20 C73 C69 113.4(2) . . ?
F19 C73 C69 111.8(2) . . ?
F24 C74 F23 109.6(4) . . ?
F23A C74 F22A 107.9(6) . . ?
F24 C74 F22 106.2(4) . . ?
F23 C74 F22 102.4(4) . . ?
F23A C74 F24A 105.7(6) . . ?
F22A C74 F24A 100.0(6) . . ?
F23A C74 C71 117.7(3) . . ?
F24 C74 C71 115.6(3) . . ?
F23 C74 C71 110.5(3) . . ?
F22A C74 C71 111.5(4) . . ?
F22 C74 C71 111.7(3) . . ?
F24A C74 C71 112.4(3) . . ?
Cl1 C75 Cl2 114.2(3) . . ?
Cl1 C75 H75A 108.7 . . ?
Cl2 C75 H75A 108.7 . . ?
Cl1 C75 H75B 108.7 . . ?
Cl2 C75 H75B 108.7 . . ?
H75A C75 H75B 107.6 . . ?
C12 N2 C8 123.14(19) . . ?
C12 N2 Pt1 119.62(14) . . ?
C8 N2 Pt1 117.24(15) . . ?
N4 N3 C13 110.29(17) . . ?
N4 N3 Pt1 138.19(14) . . ?
C13 N3 Pt1 111.52(13) . . ?
N3 N4 N5 105.68(17) . . ?
N4 N5 C14 111.85(18) . . ?
N4 N5 C15 120.04(19) . . ?
C14 N5 C15 128.1(2) . . ?
C29 N7 C33 123.03(16) . . ?
C29 N7 Pt2 117.49(13) . . ?
C33 N7 Pt2 119.42(13) . . ?
N9 N8 C34 110.45(16) . . ?
N9 N8 Pt2 137.07(13) . . ?
C34 N8 Pt2 112.34(13) . . ?
N8 N9 N10 105.83(15) . . ?
N9 N10 C35 112.14(17) . . ?
N9 N10 C36 117.93(17) . . ?
C35 N10 C36 129.90(18) . . ?
C59 B1 C43 108.15(14) . . ?
C59 B1 C51 109.57(15) . . ?
C43 B1 C51 111.32(15) . . ?
C59 B1 C67 108.80(15) . . ?
C43 B1 C67 107.79(15) . . ?
C51 B1 C67 111.12(14) . . ?
C1 Pt1 N2 177.36(8) . . ?
C1 Pt1 C2 95.40(9) . . ?
N2 Pt1 C2 82.05(9) . . ?
C1 Pt1 N3 103.33(7) . . ?
N2 Pt1 N3 79.25(7) . . ?
C2 Pt1 N3 161.04(8) . . ?
C22 Pt2 N7 179.15(7) . . ?
C22 Pt2 C23 97.15(8) . . ?
N7 Pt2 C23 82.04(7) . . ?
C22 Pt2 N8 101.64(7) . . ?
N7 Pt2 N8 79.18(7) . . ?
C23 Pt2 N8 160.88(7) . . ?

_refine_diff_density_max         1.756
_refine_diff_density_min         -1.839
_refine_diff_density_rms         0.105


_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2285474'
loop_
_audit_author_name
_audit_author_address
'Igor Koshevoy'
;University of Eastern Finland
Finland
;
_audit_update_record             
;
2023-07-30 deposited with the CCDC.	2024-01-24 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT430_4                   
;
PROBLEM: Short Inter D...A Contact  N1       ..N1       .       1.15 Ang.
RESPONSE: These are cyanide groups with two equally possible orientations.
;
_vrf_PLAT430_4_2                 
;
PROBLEM: Short Inter D...A Contact  N5       ..N5       .       1.15 Ang.
RESPONSE: These are cyanide groups with two equally possible orientations.
;
# Added during the CSD deposition process: Sunday 30 July 2023 05:52 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(C32 H12 B F24), C43 H44 N7 Pt2, 2(C21.50 H22 N3.50 Pt)'
_chemical_formula_sum            'C150 H112 B2 F48 N14 Pt4'
_chemical_formula_weight         3824.51

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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   19.0654(6)
_cell_length_b                   21.3165(7)
_cell_length_c                   22.1528(8)
_cell_angle_alpha                61.9080(10)
_cell_angle_beta                 86.4950(10)
_cell_angle_gamma                65.2190(10)
_cell_volume                     7106.0(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9673
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      31.94

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.787
_exptl_crystal_F_000             3728
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.411
_exptl_crystal_size_mid          0.349
_exptl_crystal_size_min          0.244
_exptl_absorpt_coefficient_mu    4.046
_shelx_estimated_absorpt_T_min   0.287
_shelx_estimated_absorpt_T_max   0.438
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.287
_exptl_absorpt_correction_T_max  0.438
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_reflns_number            128978
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.146
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             34259
_reflns_number_gt                28332
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-2018 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond v.4.03 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2018 (Sheldrick, 2018)'

_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)+(0.0254P)²+18.9464P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         34259
_refine_ls_number_parameters     2041
_refine_ls_number_restraints     192
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0290
_refine_ls_wR_factor_ref         0.0713
_refine_ls_wR_factor_gt          0.0638
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
C1 C -0.0069(2) 0.9777(2) 0.49682(18) 0.0357(8) Uani 0.5 1 d . . P . .
N1 N -0.0069(2) 0.9777(2) 0.49682(18) 0.0357(8) Uani 0.5 1 d . . P . .
C2 C 0.0433(2) 0.8098(2) 0.5793(2) 0.0347(8) Uani 1 1 d . . . . .
C3 C 0.0661(3) 0.8161(2) 0.6341(2) 0.0415(9) Uani 1 1 d . . . . .
H300 H 0.057983 0.866473 0.626654 0.050 Uiso 1 1 calc R U . . .
C4 C 0.1003(3) 0.7501(3) 0.6990(2) 0.0451(10) Uani 1 1 d . . . . .
H301 H 0.115142 0.755652 0.735697 0.054 Uiso 1 1 calc R U . . .
C5 C 0.1130(2) 0.6759(3) 0.7108(2) 0.0449(10) Uani 1 1 d . . . . .
H336 H 0.137480 0.630648 0.755263 0.054 Uiso 1 1 calc R U . . .
C6 C 0.0903(2) 0.6682(2) 0.6583(2) 0.0432(10) Uani 1 1 d . . . . .
H278 H 0.098440 0.617498 0.666469 0.052 Uiso 1 1 calc R U . . .
C7 C 0.0551(2) 0.7348(2) 0.5925(2) 0.0365(9) Uani 1 1 d . . . . .
C8 C 0.0282(2) 0.7315(2) 0.5344(2) 0.0367(9) Uani 1 1 d . . . . .
C9 C 0.0395(3) 0.6635(3) 0.5335(3) 0.0446(10) Uani 1 1 d . . . . .
H270 H 0.065229 0.613052 0.573870 0.054 Uiso 1 1 calc R U . . .
C10 C 0.0131(3) 0.6698(3) 0.4734(3) 0.0473(11) Uani 1 1 d . . . . .
H289 H 0.018576 0.623684 0.472898 0.057 Uiso 1 1 calc R U . . .
C11 C -0.0210(3) 0.7420(3) 0.4148(2) 0.0434(10) Uani 1 1 d . . . . .
H208 H -0.039198 0.746394 0.373324 0.052 Uiso 1 1 calc R U . . .
C12 C -0.0288(2) 0.8095(2) 0.4162(2) 0.0383(9) Uani 1 1 d . . . . .
C13 C -0.1059(3) 0.9561(2) 0.3449(2) 0.0413(9) Uani 1 1 d . . . . .
C14 C -0.1651(3) 1.0089(3) 0.2864(3) 0.0566(12) Uani 1 1 d . . . . .
H335 H -0.170572 0.993362 0.253858 0.068 Uiso 1 1 calc R U . . .
C15 C -0.2150(3) 1.0830(3) 0.2761(3) 0.0644(14) Uani 1 1 d . . . . .
H340 H -0.254086 1.119804 0.235635 0.077 Uiso 1 1 calc R U . . .
C16 C -0.2079(3) 1.1033(3) 0.3251(3) 0.0578(13) Uani 1 1 d . . . . .
H337 H -0.242669 1.153821 0.319607 0.069 Uiso 1 1 calc R U . . .
C17 C -0.1498(3) 1.0492(3) 0.3817(2) 0.0459(10) Uani 1 1 d . . . . .
H212 H -0.145880 1.063299 0.415761 0.055 Uiso 1 1 calc R U . . .
C18 C -0.0297(3) 0.8760(3) 0.2907(2) 0.0519(12) Uani 1 1 d . . . . .
H34H H -0.046373 0.930190 0.250895 0.062 Uiso 1 1 calc R U . . .
H34I H -0.056721 0.850645 0.280133 0.062 Uiso 1 1 calc R U . . .
C19 C 0.0582(3) 0.8286(3) 0.2999(3) 0.0560(13) Uani 1 1 d . . . . .
H34C H 0.073774 0.773262 0.337126 0.067 Uiso 1 1 calc R U . . .
H34D H 0.071315 0.827499 0.256367 0.067 Uiso 1 1 calc R U . . .
C20 C 0.1053(3) 0.8615(3) 0.3180(3) 0.0661(15) Uani 1 1 d . . . . .
H34L H 0.099236 0.911424 0.276470 0.079 Uiso 1 1 calc R U . . .
H34M H 0.083396 0.874639 0.354535 0.079 Uiso 1 1 calc R U . . .
C21 C 0.1909(4) 0.8061(5) 0.3430(5) 0.098(2) Uani 1 1 d . . . . .
H40A H 0.219907 0.836650 0.339267 0.117 Uiso 1 1 calc R U . . .
H40B H 0.210213 0.782218 0.312744 0.117 Uiso 1 1 calc R U . . .
C22 C 0.2086(5) 0.7374(5) 0.4211(5) 0.116(3) Uani 1 1 d . . . . .
H40C H 0.265154 0.702848 0.435016 0.175 Uiso 1 1 calc R U . . .
H40D H 0.190677 0.760703 0.451442 0.175 Uiso 1 1 calc R U . . .
H40E H 0.180982 0.706268 0.424918 0.175 Uiso 1 1 calc R U . . .
C23 C 0.49007(18) 0.02783(18) 0.50298(16) 0.0266(6) Uani 0.5 1 d . . P . .
N5 N 0.49007(18) 0.02783(18) 0.50298(16) 0.0266(6) Uani 0.5 1 d . . P . .
C24 C 0.3806(2) 0.1895(2) 0.41977(19) 0.0287(7) Uani 1 1 d . . . . .
C25 C 0.3790(2) 0.1711(2) 0.3678(2) 0.0327(8) Uani 1 1 d . . . . .
H138 H 0.410087 0.118224 0.377003 0.039 Uiso 1 1 calc R U . . .
C26 C 0.3332(2) 0.2278(2) 0.3027(2) 0.0376(9) Uani 1 1 d . . . . .
H196 H 0.332840 0.213372 0.268159 0.045 Uiso 1 1 calc R U . . .
C27 C 0.2879(2) 0.3056(2) 0.2881(2) 0.0414(9) Uani 1 1 d . . . . .
H164 H 0.256397 0.344511 0.243667 0.050 Uiso 1 1 calc R U . . .
C28 C 0.2888(2) 0.3260(2) 0.3383(2) 0.0383(9) Uani 1 1 d . . . . .
H306 H 0.257781 0.379145 0.328437 0.046 Uiso 1 1 calc R U . . .
C29 C 0.3350(2) 0.2691(2) 0.4036(2) 0.0308(8) Uani 1 1 d . . . . .
C30 C 0.3402(2) 0.2869(2) 0.4588(2) 0.0325(8) Uani 1 1 d . . . . .
C31 C 0.2990(2) 0.3597(2) 0.4555(2) 0.0413(9) Uani 1 1 d . . . . .
H241 H 0.264034 0.404074 0.414389 0.050 Uiso 1 1 calc R U . . .
C32 C 0.3091(3) 0.3675(2) 0.5119(3) 0.0458(11) Uani 1 1 d . . . . .
H240 H 0.283018 0.418070 0.509041 0.055 Uiso 1 1 calc R U . . .
C33 C 0.3566(3) 0.3028(2) 0.5724(2) 0.0428(10) Uani 1 1 d . . . . .
H163 H 0.363476 0.308387 0.611443 0.051 Uiso 1 1 calc R U . . .
C34 C 0.3950(2) 0.2281(2) 0.5763(2) 0.0337(8) Uani 1 1 d . . . . .
C35 C 0.5089(2) 0.0989(2) 0.6500(2) 0.0319(8) Uani 1 1 d . . . . .
C36 C 0.5650(2) 0.0661(3) 0.7075(2) 0.0417(9) Uani 1 1 d . . . . .
H133 H 0.554085 0.087141 0.738240 0.050 Uiso 1 1 calc R U . . .
C37 C 0.6354(2) 0.0036(3) 0.7192(2) 0.0463(10) Uani 1 1 d . . . . .
H209 H 0.673144 -0.019965 0.758885 0.056 Uiso 1 1 calc R U . . .
C38 C 0.6517(2) -0.0253(3) 0.6729(2) 0.0417(9) Uani 1 1 d . . . . .
H210 H 0.700174 -0.068957 0.680282 0.050 Uiso 1 1 calc R U . . .
C39 C 0.5955(2) 0.0113(2) 0.6163(2) 0.0316(8) Uani 1 1 d . . . . .
H271 H 0.607496 -0.006223 0.583055 0.038 Uiso 1 1 calc R U . . .
C40 C 0.4083(2) 0.1661(3) 0.7026(2) 0.0395(9) Uani 1 1 d . . . . .
H26C H 0.355171 0.210839 0.688275 0.047 Uiso 1 1 calc R U . . .
H26D H 0.443607 0.178698 0.720958 0.047 Uiso 1 1 calc R U . . .
C41 C 0.4054(2) 0.0922(3) 0.7607(2) 0.0401(9) Uani 1 1 d . . . . .
H26E H 0.458984 0.047836 0.778040 0.048 Uiso 1 1 calc R U . . .
H26F H 0.372399 0.077269 0.742451 0.048 Uiso 1 1 calc R U . . .
C42 C 0.3720(3) 0.1052(3) 0.8210(2) 0.0479(11) Uani 1 1 d . . . . .
H32A H 0.379341 0.053330 0.860304 0.057 Uiso 1 1 calc R U . . .
H32B H 0.403544 0.123674 0.836330 0.057 Uiso 1 1 calc R U . . .
C43 C 0.2868(3) 0.1632(3) 0.8063(3) 0.0541(12) Uani 1 1 d . . . . .
H34A H 0.275482 0.174992 0.845051 0.065 Uiso 1 1 calc R U . . .
H34B H 0.277543 0.213411 0.763596 0.065 Uiso 1 1 calc R U . . .
C44 C 0.2312(3) 0.1342(3) 0.7974(3) 0.0581(13) Uani 1 1 d . . . . .
H34E H 0.177241 0.174677 0.788092 0.087 Uiso 1 1 calc R U . . .
H34F H 0.241053 0.123713 0.758381 0.087 Uiso 1 1 calc R U . . .
H34G H 0.238989 0.085248 0.839934 0.087 Uiso 1 1 calc R U . . .
C45 C 0.2717(2) 1.0038(2) 0.50353(16) 0.0294(7) Uani 0.5 1 d . . P . .
N9A N 0.2717(2) 1.0038(2) 0.50353(16) 0.0294(7) Uani 0.5 1 d . . P . .
C46 C 0.4006(2) 0.7988(2) 0.5212(2) 0.0315(8) Uani 1 1 d . . . . .
C47 C 0.3535(3) 0.8419(3) 0.4565(2) 0.0406(9) Uani 1 1 d . . . . .
H261 H 0.311350 0.892753 0.443048 0.049 Uiso 1 1 calc R U . . .
C48 C 0.3676(3) 0.8111(3) 0.4111(2) 0.0517(12) Uani 1 1 d . . . . .
H260 H 0.335132 0.841446 0.366881 0.062 Uiso 1 1 calc R U . . .
C49 C 0.4282(3) 0.7371(3) 0.4299(3) 0.0564(13) Uani 1 1 d . . . . .
H332 H 0.437884 0.717097 0.398325 0.068 Uiso 1 1 calc R U . . .
C50 C 0.4740(3) 0.6927(3) 0.4938(3) 0.0485(11) Uani 1 1 d . . . . .
H331 H 0.514818 0.641271 0.507140 0.058 Uiso 1 1 calc R U . . .
C51 C 0.4611(2) 0.7228(2) 0.5396(2) 0.0369(9) Uani 1 1 d . . . . .
C52 C 0.5070(2) 0.6784(2) 0.6090(2) 0.0352(8) Uani 1 1 d . . . . .
C53 C 0.5654(2) 0.6005(2) 0.6412(3) 0.0464(8) Uani 1 1 d . . . . .
H264 H 0.580837 0.571724 0.616636 0.056 Uiso 1 1 calc R U . . .
C54 C 0.6010(3) 0.5651(3) 0.7091(3) 0.0464(8) Uani 1 1 d . . . . .
H330 H 0.642486 0.512785 0.730714 0.056 Uiso 1 1 calc R U . . .
C55 C 0.5760(2) 0.6058(2) 0.7446(2) 0.0401(9) Uani 1 1 d . . . . .
H314 H 0.599811 0.582094 0.791217 0.048 Uiso 1 1 calc R U . . .
C56 C 0.5150(2) 0.6830(2) 0.7120(2) 0.0310(8) Uani 1 1 d . . . . .
C57 C 0.4658(2) 0.7985(2) 0.73132(18) 0.0276(7) Uani 1 1 d . . . . .
C58 C 0.4833(2) 0.8163(2) 0.7799(2) 0.0377(9) Uani 1 1 d . . . . .
H244 H 0.505086 0.775476 0.826618 0.045 Uiso 1 1 calc R U . . .
C59 C 0.4693(2) 0.8919(3) 0.7606(2) 0.0379(9) Uani 1 1 d . . . . .
H166 H 0.480483 0.904233 0.793735 0.045 Uiso 1 1 calc R U . . .
C60 C 0.4384(2) 0.9506(2) 0.6919(2) 0.0335(8) Uani 1 1 d . . . . .
H165 H 0.428995 1.003597 0.676796 0.040 Uiso 1 1 calc R U . . .
C61 C 0.4219(2) 0.9300(2) 0.64656(19) 0.0285(7) Uani 1 1 d . . . . .
H107 H 0.401895 0.969899 0.599332 0.034 Uiso 1 1 calc R U . . .
C62 C 0.4766(2) 0.6692(2) 0.82320(19) 0.0344(8) Uani 1 1 d . . . . .
H16A H 0.517506 0.661241 0.855094 0.041 Uiso 1 1 calc R U . . .
H16B H 0.487844 0.616631 0.829192 0.041 Uiso 1 1 calc R U . . .
C63 C 0.3977(2) 0.7026(2) 0.8431(2) 0.0357(8) Uani 1 1 d . . . . .
H24A H 0.355448 0.724272 0.804901 0.043 Uiso 1 1 calc R U . . .
H24B H 0.392460 0.746289 0.850899 0.043 Uiso 1 1 calc R U . . .
C64 C 0.3897(3) 0.6377(3) 0.9088(2) 0.0430(10) Uani 1 1 d . . . . .
H24C H 0.395361 0.594420 0.900152 0.052 Uiso 1 1 calc R U . . .
H24D H 0.433248 0.615615 0.946001 0.052 Uiso 1 1 calc R U . . .
C65 C 0.3135(3) 0.6645(3) 0.9340(3) 0.0560(12) Uani 1 1 d . . . . .
H33A H 0.269587 0.692607 0.895232 0.067 Uiso 1 1 calc R U . . .
H33B H 0.310770 0.702415 0.948961 0.067 Uiso 1 1 calc R U . . .
C66 C 0.3046(4) 0.5955(4) 0.9940(3) 0.0752(18) Uani 1 1 d . . . . .
H34Q H 0.254276 0.615348 1.008935 0.113 Uiso 1 1 calc R U . . .
H34R H 0.306244 0.558351 0.979113 0.113 Uiso 1 1 calc R U . . .
H34S H 0.347411 0.568155 1.032821 0.113 Uiso 1 1 calc R U . . .
C67 C 0.2179(2) 1.1456(2) 0.51375(19) 0.0301(7) Uani 1 1 d . . . . .
C68 C 0.2504(2) 1.0962(3) 0.5831(2) 0.0382(9) Uani 1 1 d . . . . .
H108 H 0.272713 1.040408 0.601715 0.046 Uiso 1 1 calc R U . . .
C69 C 0.2512(3) 1.1265(3) 0.6264(2) 0.0457(10) Uani 1 1 d . . . . .
H206 H 0.272853 1.091334 0.674305 0.055 Uiso 1 1 calc R U . . .
C70 C 0.2207(3) 1.2073(3) 0.6004(2) 0.0465(11) Uani 1 1 d . . . . .
H305 H 0.223832 1.227616 0.629687 0.056 Uiso 1 1 calc R U . . .
C71 C 0.1860(2) 1.2580(3) 0.5322(2) 0.0389(9) Uani 1 1 d . . . . .
H205 H 0.163787 1.313662 0.514305 0.047 Uiso 1 1 calc R U . . .
C72 C 0.1831(2) 1.2280(2) 0.4887(2) 0.0311(8) Uani 1 1 d . . . . .
C73 C 0.1429(2) 1.2776(2) 0.4170(2) 0.0329(8) Uani 1 1 d . . . . .
C74 C 0.1062(2) 1.3592(2) 0.3820(2) 0.0397(9) Uani 1 1 d . . . . .
H283 H 0.106098 1.387956 0.404295 0.048 Uiso 1 1 calc R U . . .
C75 C 0.0699(3) 1.3984(2) 0.3147(2) 0.0431(10) Uani 1 1 d . . . . .
H201 H 0.041555 1.454607 0.290846 0.052 Uiso 1 1 calc R U . . .
C76 C 0.0744(2) 1.3566(2) 0.2813(2) 0.0407(9) Uani 1 1 d . . . . .
H282 H 0.049978 1.383799 0.234265 0.049 Uiso 1 1 calc R U . . .
C77 C 0.1151(2) 1.2735(2) 0.31729(19) 0.0319(8) Uani 1 1 d . . . . .
C78 C 0.1199(2) 1.1603(2) 0.30765(18) 0.0300(7) Uani 1 1 d . . . . .
C79 C 0.0775(2) 1.1520(3) 0.2653(2) 0.0392(9) Uani 1 1 d . . . . .
H112 H 0.051541 1.194903 0.220123 0.047 Uiso 1 1 calc R U . . .
C80 C 0.0730(3) 1.0823(3) 0.2886(2) 0.0453(10) Uani 1 1 d . . . . .
H207 H 0.045103 1.076092 0.259300 0.054 Uiso 1 1 calc R U . . .
C81 C 0.1094(3) 1.0206(3) 0.3552(2) 0.0432(10) Uani 1 1 d . . . . .
H288 H 0.107303 0.971390 0.372499 0.052 Uiso 1 1 calc R U . . .
C82 C 0.1487(2) 1.0328(2) 0.3953(2) 0.0357(8) Uani 1 1 d . . . . .
H110 H 0.172109 0.991554 0.441635 0.043 Uiso 1 1 calc R U . . .
C83 C 0.1238(2) 1.2759(2) 0.20632(19) 0.0371(9) Uani 1 1 d . . . . .
H16C H 0.134060 1.321478 0.195812 0.044 Uiso 1 1 calc R U . . .
H16D H 0.069741 1.297361 0.183230 0.044 Uiso 1 1 calc R U . . .
C84 C 0.1802(2) 1.2287(3) 0.1755(2) 0.0402(9) Uani 1 1 d . . . . .
H26A H 0.173615 1.180600 0.188260 0.048 Uiso 1 1 calc R U . . .
H26B H 0.234884 1.212057 0.193695 0.048 Uiso 1 1 calc R U . . .
C85 C 0.1631(3) 1.2814(3) 0.0963(2) 0.0516(11) Uani 1 1 d . . . . .
H32C H 0.108051 1.297783 0.079482 0.062 Uiso 1 1 calc R U . . .
H32D H 0.167981 1.330080 0.084987 0.062 Uiso 1 1 calc R U . . .
C86 C 0.2153(4) 1.2436(3) 0.0575(3) 0.0606(14) Uani 1 1 d . . . . .
H34J H 0.270591 1.225649 0.075023 0.073 Uiso 1 1 calc R U . . .
H34K H 0.203557 1.283796 0.007712 0.073 Uiso 1 1 calc R U . . .
C87 C 0.2059(4) 1.1739(4) 0.0643(3) 0.0664(15) Uani 1 1 d . . . . .
H34N H 0.241341 1.151800 0.038036 0.100 Uiso 1 1 calc R U . . .
H34O H 0.218735 1.133177 0.113387 0.100 Uiso 1 1 calc R U . . .
H34P H 0.151656 1.191364 0.046030 0.100 Uiso 1 1 calc R U . . .
C88 C 0.30732(18) 0.44895(19) 0.75519(17) 0.0225(6) Uani 1 1 d . . . . .
C89 C 0.30550(19) 0.5125(2) 0.76049(17) 0.0241(7) Uani 1 1 d . . . . .
H121 H 0.291108 0.516152 0.800945 0.029 Uiso 1 1 calc R U . . .
C90 C 0.3238(2) 0.5703(2) 0.70927(18) 0.0269(7) Uani 1 1 d . . . . .
C91 C 0.3451(2) 0.5676(2) 0.64939(19) 0.0308(8) Uani 1 1 d . . . . .
H147 H 0.357853 0.606959 0.614241 0.037 Uiso 1 1 calc R U . . .
C92 C 0.3472(2) 0.5059(2) 0.64231(18) 0.0292(7) Uani 1 1 d . . . . .
C93 C 0.3296(2) 0.4479(2) 0.69443(18) 0.0264(7) Uani 1 1 d . . . . .
H124 H 0.332807 0.405525 0.688363 0.032 Uiso 1 1 calc R U . . .
C94 C 0.3252(2) 0.6344(2) 0.7190(2) 0.0376(9) Uani 1 1 d . . . . .
C95 C 0.3676(3) 0.5015(3) 0.5776(2) 0.0391(9) Uani 1 1 d . . . . .
C96 C 0.21336(19) 0.37460(19) 0.78708(18) 0.0235(6) Uani 1 1 d . . . . .
C97 C 0.18572(19) 0.4066(2) 0.71695(18) 0.0259(7) Uani 1 1 d . . . . .
H130 H 0.208180 0.436694 0.682733 0.031 Uiso 1 1 calc R U . . .
C98 C 0.1265(2) 0.3959(2) 0.69555(19) 0.0298(7) Uani 1 1 d . . . . .
C99 C 0.0901(2) 0.3546(2) 0.7434(2) 0.0359(9) Uani 1 1 d . . . . .
H256 H 0.049562 0.347240 0.728994 0.043 Uiso 1 1 calc R U . . .
C100 C 0.1150(2) 0.3245(2) 0.8129(2) 0.0355(8) Uani 1 1 d . . . . .
C101 C 0.1748(2) 0.3342(2) 0.83361(19) 0.0284(7) Uani 1 1 d . . . . .
H148 H 0.190492 0.312238 0.881880 0.034 Uiso 1 1 calc R U . . .
C102 C 0.1001(2) 0.4285(2) 0.6205(2) 0.0382(9) Uani 1 1 d . . . . .
C103 C 0.0785(3) 0.2784(3) 0.8677(3) 0.0548(13) Uani 1 1 d . . . . .
C104 C 0.26038(18) 0.40343(19) 0.87809(16) 0.0217(6) Uani 1 1 d . . . . .
C105 C 0.18403(19) 0.45788(19) 0.87331(16) 0.0222(6) Uani 1 1 d . . . . .
H118 H 0.146186 0.480940 0.833816 0.027 Uiso 1 1 calc R U . . .
C106 C 0.16177(19) 0.4793(2) 0.92422(17) 0.0251(7) Uani 1 1 d . . . . .
C107 C 0.2144(2) 0.4467(2) 0.98289(18) 0.0286(7) Uani 1 1 d . . . . .
H116 H 0.198974 0.461160 1.017842 0.034 Uiso 1 1 calc R U . . .
C108 C 0.2897(2) 0.3925(2) 0.98949(18) 0.0284(7) Uani 1 1 d . . . . .
C109 C 0.31273(19) 0.3718(2) 0.93814(17) 0.0258(7) Uani 1 1 d . . . . .
H125 H 0.365493 0.335153 0.943810 0.031 Uiso 1 1 calc R U . . .
C110 C 0.0802(2) 0.5393(2) 0.9149(2) 0.0330(8) Uani 1 1 d . . . . .
C111 C 0.3466(2) 0.3541(3) 1.0540(2) 0.0444(10) Uani 1 1 d D . . . .
C112 C 0.36328(19) 0.2934(2) 0.85038(18) 0.0251(7) Uani 1 1 d . . . . .
C113 C 0.3643(2) 0.2302(2) 0.91334(19) 0.0305(7) Uani 1 1 d . . . . .
H156 H 0.317897 0.237730 0.933272 0.037 Uiso 1 1 calc R U . . .
C114 C 0.4293(2) 0.1575(2) 0.9478(2) 0.0349(8) Uani 1 1 d . . . . .
C115 C 0.4977(2) 0.1424(2) 0.9197(2) 0.0383(9) Uani 1 1 d . . . . .
H154 H 0.542684 0.092679 0.942874 0.046 Uiso 1 1 calc R U . . .
C116 C 0.4976(2) 0.2028(2) 0.8566(2) 0.0352(8) Uani 1 1 d . . . . .
C117 C 0.4328(2) 0.2768(2) 0.8234(2) 0.0290(7) Uani 1 1 d . . . . .
H153 H 0.436025 0.317167 0.781020 0.035 Uiso 1 1 calc R U . . .
C118 C 0.4261(3) 0.0958(3) 1.0159(2) 0.0495(11) Uani 1 1 d . . . . .
C119 C 0.5697(2) 0.1882(3) 0.8244(3) 0.0507(12) Uani 1 1 d D . . . .
C120 C 0.71672(19) 0.2601(2) 0.91334(18) 0.0247(7) Uani 1 1 d . . . . .
C121 C 0.6497(2) 0.3316(2) 0.89210(19) 0.0288(7) Uani 1 1 d . . . . .
H184 H 0.649651 0.378954 0.855696 0.035 Uiso 1 1 calc R U . . .
C122 C 0.5833(2) 0.3361(2) 0.9220(2) 0.0335(8) Uani 1 1 d . . . . .
C123 C 0.5815(2) 0.2687(2) 0.9765(2) 0.0370(9) Uani 1 1 d . . . . .
H182 H 0.535687 0.271448 0.996834 0.044 Uiso 1 1 calc R U . . .
C124 C 0.6479(2) 0.1978(2) 1.0001(2) 0.0329(8) Uani 1 1 d . . . . .
C125 C 0.7137(2) 0.1931(2) 0.96890(18) 0.0273(7) Uani 1 1 d . . . . .
H185 H 0.758041 0.142955 0.985648 0.033 Uiso 1 1 calc R U . . .
C126 C 0.5123(2) 0.4141(3) 0.8929(3) 0.0526(12) Uani 1 1 d D . . . .
C127 C 0.6495(3) 0.1249(3) 1.0602(2) 0.0483(11) Uani 1 1 d . . . . .
C128 C 0.85305(19) 0.1718(2) 0.88631(17) 0.0246(7) Uani 1 1 d . . . . .
C129 C 0.8224(2) 0.1294(2) 0.8733(2) 0.0353(8) Uani 1 1 d . . . . .
H281 H 0.767087 0.149458 0.864058 0.042 Uiso 1 1 calc R U . . .
C130 C 0.8694(2) 0.0594(3) 0.8735(3) 0.0440(10) Uani 1 1 d . . . . .
C131 C 0.9507(2) 0.0281(2) 0.8869(3) 0.0443(10) Uani 1 1 d . . . . .
H203 H 0.983376 -0.020416 0.887666 0.053 Uiso 1 1 calc R U . . .
C132 C 0.9826(2) 0.0695(2) 0.8991(2) 0.0334(8) Uani 1 1 d . . . . .
C133 C 0.93482(19) 0.1397(2) 0.89888(17) 0.0257(7) Uani 1 1 d . . . . .
H285 H 0.958285 0.166839 0.907508 0.031 Uiso 1 1 calc R U . . .
C134 C 0.8321(3) 0.0157(4) 0.8613(4) 0.0675(17) Uani 1 1 d . . . . .
C135 C 1.0696(2) 0.0398(3) 0.9098(2) 0.0444(10) Uani 1 1 d . . . . .
C136 C 0.83568(18) 0.28921(19) 0.91286(17) 0.0230(6) Uani 1 1 d . . . . .
C137 C 0.8708(2) 0.2423(2) 0.98278(18) 0.0273(7) Uani 1 1 d . . . . .
H141 H 0.872503 0.191097 1.008582 0.033 Uiso 1 1 calc R U . . .
C138 C 0.9032(2) 0.2678(2) 1.01583(19) 0.0310(8) Uani 1 1 d . . . . .
C139 C 0.9030(2) 0.3416(2) 0.9796(2) 0.0347(8) Uani 1 1 d . . . . .
H143 H 0.926812 0.358673 1.001489 0.042 Uiso 1 1 calc R U . . .
C140 C 0.8676(2) 0.3892(2) 0.91133(19) 0.0320(8) Uani 1 1 d . . . . .
C141 C 0.8335(2) 0.3641(2) 0.87895(18) 0.0262(7) Uani 1 1 d . . . . .
H145 H 0.807830 0.399310 0.832035 0.031 Uiso 1 1 calc R U . . .
C142 C 0.9365(3) 0.2180(3) 1.0916(2) 0.0442(10) Uani 1 1 d . . . . .
C143 C 0.8642(4) 0.4695(3) 0.8698(2) 0.0565(14) Uani 1 1 d . . . . .
C144 C 0.77086(19) 0.31632(19) 0.79222(17) 0.0240(7) Uani 1 1 d . . . . .
C145 C 0.82420(19) 0.3400(2) 0.75329(18) 0.0247(7) Uani 1 1 d . . . . .
H186 H 0.874224 0.323008 0.776659 0.030 Uiso 1 1 calc R U . . .
C146 C 0.8067(2) 0.3878(2) 0.68139(18) 0.0255(7) Uani 1 1 d . . . . .
C147 C 0.7356(2) 0.4119(2) 0.64457(19) 0.0291(7) Uani 1 1 d . . . . .
H189 H 0.723699 0.444222 0.595469 0.035 Uiso 1 1 calc R U . . .
C148 C 0.6827(2) 0.3872(2) 0.68198(18) 0.0281(7) Uani 1 1 d . . . . .
C149 C 0.6998(2) 0.3405(2) 0.75405(18) 0.0275(7) Uani 1 1 d . . . . .
H190 H 0.662153 0.324538 0.778052 0.033 Uiso 1 1 calc R U . . .
C150 C 0.8652(2) 0.4153(2) 0.6449(2) 0.0346(8) Uani 1 1 d . . . . .
C151 C 0.6060(2) 0.4092(3) 0.6451(2) 0.0394(9) Uani 1 1 d . . . . .
B1 B 0.2864(2) 0.3809(2) 0.81634(19) 0.0221(7) Uani 1 1 d . . . . .
B2 B 0.7941(2) 0.2588(2) 0.8767(2) 0.0242(7) Uani 1 1 d . . . . .
N2 N -0.00784(19) 0.80433(19) 0.47543(18) 0.0361(7) Uani 1 1 d . . . . .
N3 N -0.0973(2) 0.97660(19) 0.39220(17) 0.0381(7) Uani 1 1 d . . . . .
N4 N -0.0535(2) 0.8813(2) 0.35406(18) 0.0433(8) Uani 1 1 d . . . . .
N6 N 0.38934(17) 0.22249(17) 0.51870(17) 0.0299(6) Uani 1 1 d . . . . .
N7 N 0.52406(17) 0.07085(17) 0.60507(16) 0.0281(6) Uani 1 1 d . . . . .
N8 N 0.43527(19) 0.1603(2) 0.64012(17) 0.0357(7) Uani 1 1 d . . . . .
N9 N 0.3214(2) 0.9398(2) 0.53484(16) 0.0284(7) Uani 0.5 1 d . . P . .
C45A C 0.3214(2) 0.9398(2) 0.53484(16) 0.0284(7) Uani 0.5 1 d . . P . .
N10 N 0.48449(17) 0.71967(17) 0.64467(16) 0.0278(6) Uani 1 1 d . . . . .
N11 N 0.43259(16) 0.85611(17) 0.66522(15) 0.0255(6) Uani 1 1 d . . . . .
N12 N 0.48121(18) 0.72070(17) 0.75099(15) 0.0301(6) Uani 1 1 d . . . . .
N13 N 0.14464(17) 1.23519(18) 0.38514(15) 0.0284(6) Uani 1 1 d . . . . .
N14 N 0.15564(17) 1.10028(18) 0.37238(15) 0.0288(6) Uani 1 1 d . . . . .
N15 N 0.12796(18) 1.23054(18) 0.28231(15) 0.0314(7) Uani 1 1 d . . . . .
F1 F 0.2901(2) 0.70583(16) 0.66321(16) 0.0702(9) Uani 1 1 d . . . . .
F2 F 0.28883(17) 0.64201(16) 0.77023(15) 0.0546(7) Uani 1 1 d . . . . .
F3 F 0.39753(16) 0.62277(19) 0.73276(19) 0.0679(9) Uani 1 1 d . . . . .
F4 F 0.41731(17) 0.42803(17) 0.59108(14) 0.0575(7) Uani 1 1 d . . . . .
F5 F 0.30429(17) 0.52064(19) 0.53717(13) 0.0594(7) Uani 1 1 d . . . . .
F6 F 0.39936(19) 0.54865(19) 0.53936(14) 0.0617(8) Uani 1 1 d . . . . .
F7 F 0.14191(18) 0.4613(2) 0.57907(14) 0.0748(10) Uani 1 1 d . . . . .
F8 F 0.0993(2) 0.37464(18) 0.60689(16) 0.0790(10) Uani 1 1 d . . . . .
F9 F 0.02663(16) 0.48564(18) 0.59753(15) 0.0656(8) Uani 1 1 d . . . . .
F10 F 0.1289(2) 0.2019(2) 0.90644(17) 0.0746(9) Uani 1 1 d . . . . .
F11 F 0.0166(2) 0.2808(3) 0.84175(19) 0.0999(14) Uani 1 1 d . . . . .
F12 F 0.0565(2) 0.3047(3) 0.9128(2) 0.0901(12) Uani 1 1 d . . . . .
F13 F 0.4138(2) 0.2983(3) 1.0588(2) 0.076(2) Uani 0.794(9) 1 d D U P A 1
F14 F 0.3185(2) 0.3214(4) 1.11099(18) 0.0779(18) Uani 0.794(9) 1 d D U P A 1
F15 F 0.3619(4) 0.4050(3) 1.0614(3) 0.111(3) Uani 0.794(9) 1 d D U P A 1
F14A F 0.3233(7) 0.3754(11) 1.0992(7) 0.054(5) Uani 0.206(9) 1 d D U P A 2
F13A F 0.3719(12) 0.2758(7) 1.0854(9) 0.085(7) Uani 0.206(9) 1 d D U P A 2
F15A F 0.4105(7) 0.3638(12) 1.0406(7) 0.062(5) Uani 0.206(9) 1 d D U P A 2
F16 F 0.02744(13) 0.53548(16) 0.88273(15) 0.0528(7) Uani 1 1 d . . . . .
F17 F 0.05778(15) 0.53430(18) 0.97436(14) 0.0597(8) Uani 1 1 d . . . . .
F18 F 0.07244(16) 0.61379(15) 0.87767(17) 0.0633(8) Uani 1 1 d . . . . .
F19 F 0.6154(4) 0.2123(6) 0.8328(4) 0.071(2) Uani 0.571(10) 1 d D U P B 1
F20 F 0.5499(3) 0.2262(5) 0.7505(3) 0.069(2) Uani 0.571(10) 1 d D U P B 1
F21 F 0.6081(4) 0.1139(3) 0.8346(4) 0.077(3) Uani 0.571(10) 1 d D U P B 1
F21A F 0.6337(3) 0.1289(6) 0.8769(4) 0.086(4) Uani 0.429(10) 1 d D . P B 2
F20A F 0.5684(5) 0.1725(8) 0.7803(6) 0.078(3) Uani 0.429(10) 1 d D U P B 2
F19A F 0.5882(6) 0.2487(5) 0.8033(6) 0.073(3) Uani 0.429(10) 1 d D U P B 2
F22 F 0.49442(17) 0.03191(15) 1.04735(15) 0.0673(8) Uani 1 1 d . . . . .
F23 F 0.37549(18) 0.06934(16) 1.01047(16) 0.0685(9) Uani 1 1 d . . . . .
F24 F 0.4028(2) 0.12312(17) 1.06073(15) 0.0763(10) Uani 1 1 d . . . . .
F25 F 0.6942(3) 0.1010(2) 1.11650(17) 0.1046(15) Uani 1 1 d . . . . .
F26 F 0.6760(3) 0.06425(19) 1.0489(2) 0.1001(14) Uani 1 1 d . . . . .
F27 F 0.5800(2) 0.1321(2) 1.07687(19) 0.0899(12) Uani 1 1 d . . . . .
F28 F 0.4708(6) 0.4181(4) 0.9461(4) 0.077(3) Uani 0.556(18) 1 d D U P C 1
F29 F 0.4627(5) 0.4207(5) 0.8510(7) 0.091(4) Uani 0.556(18) 1 d D U P C 1
F30 F 0.5258(5) 0.4750(5) 0.8650(7) 0.075(3) Uani 0.556(18) 1 d D U P C 1
F28A F 0.4489(5) 0.4173(5) 0.9144(9) 0.081(4) Uani 0.444(18) 1 d D U P C 2
F29A F 0.4932(7) 0.4484(8) 0.8218(5) 0.099(4) Uani 0.444(18) 1 d D U P C 2
F30A F 0.5270(8) 0.4685(7) 0.8966(8) 0.070(3) Uani 0.444(18) 1 d D U P C 2
F31 F 1.09293(17) 0.0821(3) 0.85661(17) 0.1015(15) Uani 1 1 d . . . . .
F32 F 1.09713(17) 0.0438(3) 0.9604(2) 0.0963(13) Uani 1 1 d . . . . .
F33 F 1.10800(18) -0.0331(2) 0.9241(3) 0.134(2) Uani 1 1 d . . . . .
F34 F 0.8768(2) -0.0341(2) 0.8429(3) 0.1044(15) Uani 1 1 d . . . . .
F35 F 0.7944(3) -0.0102(2) 0.9097(2) 0.0960(13) Uani 1 1 d . . . . .
F36 F 0.7716(2) 0.0672(3) 0.8040(3) 0.1049(14) Uani 1 1 d . . . . .
F37 F 0.8629(3) 0.4942(2) 0.80445(16) 0.0959(14) Uani 1 1 d . . . . .
F38 F 0.7958(4) 0.5253(2) 0.8708(2) 0.129(2) Uani 1 1 d . . . . .
F39 F 0.9112(4) 0.4816(3) 0.8962(2) 0.143(2) Uani 1 1 d . . . . .
F40 F 0.8964(2) 0.25100(18) 1.12865(14) 0.0770(10) Uani 1 1 d . . . . .
F41 F 1.00839(19) 0.2091(2) 1.10459(17) 0.0854(11) Uani 1 1 d . . . . .
F42 F 0.9410(2) 0.14677(16) 1.12053(14) 0.0725(10) Uani 1 1 d . . . . .
F43 F 0.60657(19) 0.35083(19) 0.6387(2) 0.0840(11) Uani 1 1 d . . . . .
F44 F 0.54700(15) 0.4297(2) 0.67803(14) 0.0643(8) Uani 1 1 d . . . . .
F45 F 0.58566(15) 0.47154(17) 0.58151(12) 0.0522(7) Uani 1 1 d . . . . .
F46 F 0.84839(15) 0.45002(18) 0.57619(12) 0.0573(7) Uani 1 1 d . . . . .
F47 F 0.87038(16) 0.46825(15) 0.65868(15) 0.0519(7) Uani 1 1 d . . . . .
F48 F 0.93779(12) 0.35593(14) 0.66437(12) 0.0389(5) Uani 1 1 d . . . . .
Pt1 Pt -0.01691(2) 0.89641(2) 0.48507(2) 0.03183(4) Uani 1 1 d . . . . .
Pt2 Pt 0.44728(2) 0.12291(2) 0.51266(2) 0.02481(3) Uani 1 1 d . . . . .
Pt3 Pt 0.40447(2) 0.83258(2) 0.59023(2) 0.02498(3) Uani 1 1 d . . . . .
Pt4 Pt 0.20105(2) 1.11664(2) 0.44482(2) 0.02547(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C1 1.156(7) 2_576 ?
C1 Pt1 1.953(3) . ?
C2 C3 1.394(6) . ?
C2 C7 1.399(5) . ?
C2 Pt1 1.993(4) . ?
C3 C4 1.383(6) . ?
C3 H300 0.9500 . ?
C4 C5 1.387(6) . ?
C4 H301 0.9500 . ?
C5 C6 1.368(6) . ?
C5 H336 0.9500 . ?
C6 C7 1.402(6) . ?
C6 H278 0.9500 . ?
C7 C8 1.455(6) . ?
C8 N2 1.376(5) . ?
C8 C9 1.383(6) . ?
C9 C10 1.379(7) . ?
C9 H270 0.9500 . ?
C10 C11 1.364(6) . ?
C10 H289 0.9500 . ?
C11 C12 1.399(6) . ?
C11 H208 0.9500 . ?
C12 N2 1.335(5) . ?
C12 N4 1.397(5) . ?
C13 N3 1.351(5) . ?
C13 C14 1.400(6) . ?
C13 N4 1.404(5) . ?
C14 C15 1.371(7) . ?
C14 H335 0.9500 . ?
C15 C16 1.376(7) . ?
C15 H340 0.9500 . ?
C16 C17 1.367(6) . ?
C16 H337 0.9500 . ?
C17 N3 1.357(5) . ?
C17 H212 0.9500 . ?
C18 N4 1.487(5) . ?
C18 C19 1.517(7) . ?
C18 H34H 0.9900 . ?
C18 H34I 0.9900 . ?
C19 C20 1.516(7) . ?
C19 H34C 0.9900 . ?
C19 H34D 0.9900 . ?
C20 C21 1.498(9) . ?
C20 H34L 0.9900 . ?
C20 H34M 0.9900 . ?
C21 C22 1.587(11) . ?
C21 H40A 0.9900 . ?
C21 H40B 0.9900 . ?
C22 H40C 0.9800 . ?
C22 H40D 0.9800 . ?
C22 H40E 0.9800 . ?
C23 C23 1.155(6) 2_656 ?
C23 Pt2 1.955(3) . ?
C24 C25 1.385(5) . ?
C24 C29 1.411(5) . ?
C24 Pt2 1.980(4) . ?
C25 C26 1.391(5) . ?
C25 H138 0.9500 . ?
C26 C27 1.389(6) . ?
C26 H196 0.9500 . ?
C27 C28 1.374(6) . ?
C27 H164 0.9500 . ?
C28 C29 1.395(5) . ?
C28 H306 0.9500 . ?
C29 C30 1.461(6) . ?
C30 N6 1.371(5) . ?
C30 C31 1.382(5) . ?
C31 C32 1.370(6) . ?
C31 H241 0.9500 . ?
C32 C33 1.371(6) . ?
C32 H240 0.9500 . ?
C33 C34 1.409(5) . ?
C33 H163 0.9500 . ?
C34 N6 1.350(5) . ?
C34 N8 1.398(5) . ?
C35 N7 1.347(5) . ?
C35 C36 1.397(5) . ?
C35 N8 1.400(5) . ?
C36 C37 1.364(6) . ?
C36 H133 0.9500 . ?
C37 C38 1.386(6) . ?
C37 H209 0.9500 . ?
C38 C39 1.367(5) . ?
C38 H210 0.9500 . ?
C39 N7 1.351(4) . ?
C39 H271 0.9500 . ?
C40 N8 1.489(5) . ?
C40 C41 1.514(6) . ?
C40 H26C 0.9900 . ?
C40 H26D 0.9900 . ?
C41 C42 1.538(6) . ?
C41 H26E 0.9900 . ?
C41 H26F 0.9900 . ?
C42 C43 1.508(6) . ?
C42 H32A 0.9900 . ?
C42 H32B 0.9900 . ?
C43 C44 1.495(7) . ?
C43 H34A 0.9900 . ?
C43 H34B 0.9900 . ?
C44 H34E 0.9800 . ?
C44 H34F 0.9800 . ?
C44 H34G 0.9800 . ?
C45 N9 1.160(5) . ?
C45 Pt4 1.961(3) . ?
C46 C47 1.389(6) . ?
C46 C51 1.410(6) . ?
C46 Pt3 1.990(4) . ?
C47 C48 1.399(6) . ?
C47 H261 0.9500 . ?
C48 C49 1.383(7) . ?
C48 H260 0.9500 . ?
C49 C50 1.363(7) . ?
C49 H332 0.9500 . ?
C50 C51 1.397(5) . ?
C50 H331 0.9500 . ?
C51 C52 1.459(6) . ?
C52 N10 1.370(5) . ?
C52 C53 1.392(6) . ?
C53 C54 1.385(7) . ?
C53 H264 0.9500 . ?
C54 C55 1.360(6) . ?
C54 H330 0.9500 . ?
C55 C56 1.400(5) . ?
C55 H314 0.9500 . ?
C56 N10 1.342(5) . ?
C56 N12 1.400(5) . ?
C57 N11 1.350(4) . ?
C57 C58 1.396(5) . ?
C57 N12 1.396(4) . ?
C58 C59 1.362(6) . ?
C58 H244 0.9500 . ?
C59 C60 1.389(5) . ?
C59 H166 0.9500 . ?
C60 C61 1.367(5) . ?
C60 H165 0.9500 . ?
C61 N11 1.350(4) . ?
C61 H107 0.9500 . ?
C62 N12 1.477(5) . ?
C62 C63 1.511(6) . ?
C62 H16A 0.9900 . ?
C62 H16B 0.9900 . ?
C63 C64 1.519(5) . ?
C63 H24A 0.9900 . ?
C63 H24B 0.9900 . ?
C64 C65 1.501(6) . ?
C64 H24C 0.9900 . ?
C64 H24D 0.9900 . ?
C65 C66 1.518(7) . ?
C65 H33A 0.9900 . ?
C65 H33B 0.9900 . ?
C66 H34Q 0.9800 . ?
C66 H34R 0.9800 . ?
C66 H34S 0.9800 . ?
C67 C68 1.379(5) . ?
C67 C72 1.407(5) . ?
C67 Pt4 1.983(4) . ?
C68 C69 1.389(5) . ?
C68 H108 0.9500 . ?
C69 C70 1.379(6) . ?
C69 H206 0.9500 . ?
C70 C71 1.370(6) . ?
C70 H305 0.9500 . ?
C71 C72 1.398(5) . ?
C71 H205 0.9500 . ?
C72 C73 1.454(5) . ?
C73 N13 1.374(5) . ?
C73 C74 1.377(5) . ?
C74 C75 1.367(6) . ?
C74 H283 0.9500 . ?
C75 C76 1.378(6) . ?
C75 H201 0.9500 . ?
C76 C77 1.403(5) . ?
C76 H282 0.9500 . ?
C77 N13 1.344(5) . ?
C77 N15 1.398(5) . ?
C78 N14 1.348(5) . ?
C78 C79 1.392(5) . ?
C78 N15 1.403(5) . ?
C79 C80 1.363(6) . ?
C79 H112 0.9500 . ?
C80 C81 1.387(6) . ?
C80 H207 0.9500 . ?
C81 C82 1.372(5) . ?
C81 H288 0.9500 . ?
C82 N14 1.345(5) . ?
C82 H110 0.9500 . ?
C83 N15 1.481(5) . ?
C83 C84 1.511(6) . ?
C83 H16C 0.9900 . ?
C83 H16D 0.9900 . ?
C84 C85 1.534(6) . ?
C84 H26A 0.9900 . ?
C84 H26B 0.9900 . ?
C85 C86 1.503(7) . ?
C85 H32C 0.9900 . ?
C85 H32D 0.9900 . ?
C86 C87 1.506(7) . ?
C86 H34J 0.9900 . ?
C86 H34K 0.9900 . ?
C87 H34N 0.9800 . ?
C87 H34O 0.9800 . ?
C87 H34P 0.9800 . ?
C88 C93 1.394(5) . ?
C88 C89 1.400(4) . ?
C88 B1 1.633(5) . ?
C89 C90 1.387(5) . ?
C89 H121 0.9500 . ?
C90 C91 1.384(5) . ?
C90 C94 1.491(5) . ?
C91 C92 1.380(5) . ?
C91 H147 0.9500 . ?
C92 C93 1.390(5) . ?
C92 C95 1.497(5) . ?
C93 H124 0.9500 . ?
C94 F3 1.323(5) . ?
C94 F1 1.330(5) . ?
C94 F2 1.334(5) . ?
C95 F6 1.320(5) . ?
C95 F4 1.338(5) . ?
C95 F5 1.341(5) . ?
C96 C101 1.396(5) . ?
C96 C97 1.399(5) . ?
C96 B1 1.651(5) . ?
C97 C98 1.392(5) . ?
C97 H130 0.9500 . ?
C98 C99 1.387(5) . ?
C98 C102 1.490(5) . ?
C99 C100 1.381(6) . ?
C99 H256 0.9500 . ?
C100 C101 1.381(5) . ?
C100 C103 1.507(6) . ?
C101 H148 0.9500 . ?
C102 F7 1.318(5) . ?
C102 F8 1.324(5) . ?
C102 F9 1.334(5) . ?
C103 F11 1.315(5) . ?
C103 F12 1.329(6) . ?
C103 F10 1.338(6) . ?
C104 C105 1.402(4) . ?
C104 C109 1.405(4) . ?
C104 B1 1.639(5) . ?
C105 C106 1.387(5) . ?
C105 H118 0.9500 . ?
C106 C107 1.379(5) . ?
C106 C110 1.490(5) . ?
C107 C108 1.376(5) . ?
C107 H116 0.9500 . ?
C108 C109 1.390(5) . ?
C108 C111 1.494(5) . ?
C109 H125 0.9500 . ?
C110 F16 1.319(4) . ?
C110 F17 1.328(5) . ?
C110 F18 1.344(5) . ?
C111 F14A 1.269(9) . ?
C111 F13 1.298(5) . ?
C111 F15A 1.312(10) . ?
C111 F15 1.314(6) . ?
C111 F14 1.330(6) . ?
C111 F13A 1.332(11) . ?
C112 C117 1.396(5) . ?
C112 C113 1.405(5) . ?
C112 B1 1.646(5) . ?
C113 C114 1.383(5) . ?
C113 H156 0.9500 . ?
C114 C115 1.389(6) . ?
C114 C118 1.482(6) . ?
C115 C116 1.384(6) . ?
C115 H154 0.9500 . ?
C116 C117 1.392(5) . ?
C116 C119 1.491(6) . ?
C117 H153 0.9500 . ?
C118 F22 1.330(5) . ?
C118 F23 1.340(6) . ?
C118 F24 1.342(6) . ?
C119 F20A 1.178(8) . ?
C119 F19 1.241(7) . ?
C119 F19A 1.342(8) . ?
C119 F21 1.344(6) . ?
C119 F21A 1.391(7) . ?
C119 F20 1.432(7) . ?
C120 C121 1.395(5) . ?
C120 C125 1.401(5) . ?
C120 B2 1.637(5) . ?
C121 C122 1.380(5) . ?
C121 H184 0.9500 . ?
C122 C123 1.388(5) . ?
C122 C126 1.490(6) . ?
C123 C124 1.376(5) . ?
C123 H182 0.9500 . ?
C124 C125 1.383(5) . ?
C124 C127 1.486(6) . ?
C125 H185 0.9500 . ?
C126 F28A 1.258(7) . ?
C126 F30 1.279(8) . ?
C126 F29 1.284(7) . ?
C126 F30A 1.340(9) . ?
C126 F29A 1.383(9) . ?
C126 F28 1.395(7) . ?
C127 F25 1.307(6) . ?
C127 F26 1.315(6) . ?
C127 F27 1.318(5) . ?
C128 C129 1.396(5) . ?
C128 C133 1.398(5) . ?
C128 B2 1.631(5) . ?
C129 C130 1.379(5) . ?
C129 H281 0.9500 . ?
C130 C131 1.393(6) . ?
C130 C134 1.504(6) . ?
C131 C132 1.384(6) . ?
C131 H203 0.9500 . ?
C132 C133 1.386(5) . ?
C132 C135 1.496(5) . ?
C133 H285 0.9500 . ?
C134 F34 1.274(6) . ?
C134 F35 1.286(7) . ?
C134 F36 1.397(8) . ?
C135 F33 1.290(5) . ?
C135 F31 1.292(5) . ?
C135 F32 1.316(6) . ?
C136 C141 1.390(5) . ?
C136 C137 1.398(5) . ?
C136 B2 1.640(5) . ?
C137 C138 1.388(5) . ?
C137 H141 0.9500 . ?
C138 C139 1.388(5) . ?
C138 C142 1.495(5) . ?
C139 C140 1.371(5) . ?
C139 H143 0.9500 . ?
C140 C141 1.391(5) . ?
C140 C143 1.488(6) . ?
C141 H145 0.9500 . ?
C142 F42 1.306(5) . ?
C142 F40 1.330(5) . ?
C142 F41 1.333(5) . ?
C143 F39 1.269(6) . ?
C143 F37 1.285(5) . ?
C143 F38 1.356(7) . ?
C144 C145 1.395(5) . ?
C144 C149 1.400(5) . ?
C144 B2 1.638(5) . ?
C145 C146 1.392(5) . ?
C145 H186 0.9500 . ?
C146 C147 1.386(5) . ?
C146 C150 1.494(5) . ?
C147 C148 1.384(5) . ?
C147 H189 0.9500 . ?
C148 C149 1.393(5) . ?
C148 C151 1.494(5) . ?
C149 H190 0.9500 . ?
C150 F46 1.330(4) . ?
C150 F48 1.340(4) . ?
C150 F47 1.340(5) . ?
C151 F43 1.313(5) . ?
C151 F45 1.332(5) . ?
C151 F44 1.332(5) . ?
N2 Pt1 2.009(3) . ?
N3 Pt1 2.093(3) . ?
N6 Pt2 2.007(3) . ?
N7 Pt2 2.105(3) . ?
N9 Pt3 1.949(3) . ?
N10 Pt3 1.997(3) . ?
N11 Pt3 2.102(3) . ?
N13 Pt4 2.010(3) . ?
N14 Pt4 2.097(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 C1 Pt1 173.1(5) 2_576 . ?
C3 C2 C7 117.8(4) . . ?
C3 C2 Pt1 128.5(3) . . ?
C7 C2 Pt1 113.2(3) . . ?
C4 C3 C2 121.0(4) . . ?
C4 C3 H300 119.5 . . ?
C2 C3 H300 119.5 . . ?
C3 C4 C5 120.4(4) . . ?
C3 C4 H301 119.8 . . ?
C5 C4 H301 119.8 . . ?
C6 C5 C4 119.8(4) . . ?
C6 C5 H336 120.1 . . ?
C4 C5 H336 120.1 . . ?
C5 C6 C7 120.1(4) . . ?
C5 C6 H278 119.9 . . ?
C7 C6 H278 119.9 . . ?
C2 C7 C6 120.8(4) . . ?
C2 C7 C8 115.9(4) . . ?
C6 C7 C8 123.3(4) . . ?
N2 C8 C9 120.0(4) . . ?
N2 C8 C7 113.8(3) . . ?
C9 C8 C7 126.1(4) . . ?
C10 C9 C8 119.3(4) . . ?
C10 C9 H270 120.4 . . ?
C8 C9 H270 120.4 . . ?
C11 C10 C9 120.3(4) . . ?
C11 C10 H289 119.9 . . ?
C9 C10 H289 119.9 . . ?
C10 C11 C12 119.3(4) . . ?
C10 C11 H208 120.4 . . ?
C12 C11 H208 120.4 . . ?
N2 C12 N4 120.3(4) . . ?
N2 C12 C11 120.5(4) . . ?
N4 C12 C11 119.0(4) . . ?
N3 C13 C14 121.1(4) . . ?
N3 C13 N4 119.2(4) . . ?
C14 C13 N4 119.6(4) . . ?
C15 C14 C13 119.9(5) . . ?
C15 C14 H335 120.0 . . ?
C13 C14 H335 120.0 . . ?
C14 C15 C16 119.2(5) . . ?
C14 C15 H340 120.4 . . ?
C16 C15 H340 120.4 . . ?
C17 C16 C15 118.6(5) . . ?
C17 C16 H337 120.7 . . ?
C15 C16 H337 120.7 . . ?
N3 C17 C16 123.8(4) . . ?
N3 C17 H212 118.1 . . ?
C16 C17 H212 118.1 . . ?
N4 C18 C19 111.7(4) . . ?
N4 C18 H34H 109.3 . . ?
C19 C18 H34H 109.3 . . ?
N4 C18 H34I 109.3 . . ?
C19 C18 H34I 109.3 . . ?
H34H C18 H34I 107.9 . . ?
C20 C19 C18 113.6(4) . . ?
C20 C19 H34C 108.9 . . ?
C18 C19 H34C 108.9 . . ?
C20 C19 H34D 108.9 . . ?
C18 C19 H34D 108.9 . . ?
H34C C19 H34D 107.7 . . ?
C21 C20 C19 114.0(5) . . ?
C21 C20 H34L 108.7 . . ?
C19 C20 H34L 108.7 . . ?
C21 C20 H34M 108.7 . . ?
C19 C20 H34M 108.7 . . ?
H34L C20 H34M 107.6 . . ?
C20 C21 C22 112.5(6) . . ?
C20 C21 H40A 109.1 . . ?
C22 C21 H40A 109.1 . . ?
C20 C21 H40B 109.1 . . ?
C22 C21 H40B 109.1 . . ?
H40A C21 H40B 107.8 . . ?
C21 C22 H40C 109.5 . . ?
C21 C22 H40D 109.5 . . ?
H40C C22 H40D 109.5 . . ?
C21 C22 H40E 109.5 . . ?
H40C C22 H40E 109.5 . . ?
H40D C22 H40E 109.5 . . ?
C23 C23 Pt2 175.1(4) 2_656 . ?
C25 C24 C29 117.3(3) . . ?
C25 C24 Pt2 129.5(3) . . ?
C29 C24 Pt2 112.9(3) . . ?
C24 C25 C26 121.9(4) . . ?
C24 C25 H138 119.1 . . ?
C26 C25 H138 119.1 . . ?
C27 C26 C25 119.9(4) . . ?
C27 C26 H196 120.1 . . ?
C25 C26 H196 120.1 . . ?
C28 C27 C26 119.7(4) . . ?
C28 C27 H164 120.2 . . ?
C26 C27 H164 120.2 . . ?
C27 C28 C29 120.4(4) . . ?
C27 C28 H306 119.8 . . ?
C29 C28 H306 119.8 . . ?
C28 C29 C24 120.8(4) . . ?
C28 C29 C30 123.4(3) . . ?
C24 C29 C30 115.8(3) . . ?
N6 C30 C31 120.2(4) . . ?
N6 C30 C29 113.9(3) . . ?
C31 C30 C29 125.8(4) . . ?
C32 C31 C30 119.5(4) . . ?
C32 C31 H241 120.3 . . ?
C30 C31 H241 120.3 . . ?
C31 C32 C33 120.4(4) . . ?
C31 C32 H240 119.8 . . ?
C33 C32 H240 119.8 . . ?
C32 C33 C34 119.5(4) . . ?
C32 C33 H163 120.3 . . ?
C34 C33 H163 120.3 . . ?
N6 C34 N8 120.9(3) . . ?
N6 C34 C33 119.3(4) . . ?
N8 C34 C33 119.7(4) . . ?
N7 C35 C36 120.9(4) . . ?
N7 C35 N8 119.6(3) . . ?
C36 C35 N8 119.5(3) . . ?
C37 C36 C35 119.7(4) . . ?
C37 C36 H133 120.1 . . ?
C35 C36 H133 120.1 . . ?
C36 C37 C38 119.8(4) . . ?
C36 C37 H209 120.1 . . ?
C38 C37 H209 120.1 . . ?
C39 C38 C37 117.7(4) . . ?
C39 C38 H210 121.2 . . ?
C37 C38 H210 121.2 . . ?
N7 C39 C38 123.8(4) . . ?
N7 C39 H271 118.1 . . ?
C38 C39 H271 118.1 . . ?
N8 C40 C41 115.0(3) . . ?
N8 C40 H26C 108.5 . . ?
C41 C40 H26C 108.5 . . ?
N8 C40 H26D 108.5 . . ?
C41 C40 H26D 108.5 . . ?
H26C C40 H26D 107.5 . . ?
C40 C41 C42 111.4(3) . . ?
C40 C41 H26E 109.3 . . ?
C42 C41 H26E 109.3 . . ?
C40 C41 H26F 109.3 . . ?
C42 C41 H26F 109.3 . . ?
H26E C41 H26F 108.0 . . ?
C43 C42 C41 116.7(4) . . ?
C43 C42 H32A 108.1 . . ?
C41 C42 H32A 108.1 . . ?
C43 C42 H32B 108.1 . . ?
C41 C42 H32B 108.1 . . ?
H32A C42 H32B 107.3 . . ?
C44 C43 C42 113.9(4) . . ?
C44 C43 H34A 108.8 . . ?
C42 C43 H34A 108.8 . . ?
C44 C43 H34B 108.8 . . ?
C42 C43 H34B 108.8 . . ?
H34A C43 H34B 107.7 . . ?
C43 C44 H34E 109.5 . . ?
C43 C44 H34F 109.5 . . ?
H34E C44 H34F 109.5 . . ?
C43 C44 H34G 109.5 . . ?
H34E C44 H34G 109.5 . . ?
H34F C44 H34G 109.5 . . ?
N9 C45 Pt4 170.9(3) . . ?
C47 C46 C51 117.7(4) . . ?
C47 C46 Pt3 129.3(3) . . ?
C51 C46 Pt3 112.6(3) . . ?
C46 C47 C48 120.5(4) . . ?
C46 C47 H261 119.8 . . ?
C48 C47 H261 119.8 . . ?
C49 C48 C47 120.7(4) . . ?
C49 C48 H260 119.6 . . ?
C47 C48 H260 119.6 . . ?
C50 C49 C48 119.9(4) . . ?
C50 C49 H332 120.1 . . ?
C48 C49 H332 120.1 . . ?
C49 C50 C51 120.1(5) . . ?
C49 C50 H331 119.9 . . ?
C51 C50 H331 119.9 . . ?
C50 C51 C46 121.1(4) . . ?
C50 C51 C52 123.2(4) . . ?
C46 C51 C52 115.7(3) . . ?
N10 C52 C53 120.0(4) . . ?
N10 C52 C51 113.2(3) . . ?
C53 C52 C51 126.7(4) . . ?
C54 C53 C52 119.8(4) . . ?
C54 C53 H264 120.1 . . ?
C52 C53 H264 120.1 . . ?
C55 C54 C53 119.4(4) . . ?
C55 C54 H330 120.3 . . ?
C53 C54 H330 120.3 . . ?
C54 C55 C56 119.7(4) . . ?
C54 C55 H314 120.2 . . ?
C56 C55 H314 120.2 . . ?
N10 C56 C55 121.0(4) . . ?
N10 C56 N12 119.0(3) . . ?
C55 C56 N12 119.8(4) . . ?
N11 C57 C58 120.6(3) . . ?
N11 C57 N12 119.2(3) . . ?
C58 C57 N12 120.2(3) . . ?
C59 C58 C57 120.3(4) . . ?
C59 C58 H244 119.8 . . ?
C57 C58 H244 119.8 . . ?
C58 C59 C60 119.1(3) . . ?
C58 C59 H166 120.4 . . ?
C60 C59 H166 120.4 . . ?
C61 C60 C59 118.2(3) . . ?
C61 C60 H165 120.9 . . ?
C59 C60 H165 120.9 . . ?
N11 C61 C60 123.6(3) . . ?
N11 C61 H107 118.2 . . ?
C60 C61 H107 118.2 . . ?
N12 C62 C63 113.2(3) . . ?
N12 C62 H16A 108.9 . . ?
C63 C62 H16A 108.9 . . ?
N12 C62 H16B 108.9 . . ?
C63 C62 H16B 108.9 . . ?
H16A C62 H16B 107.7 . . ?
C62 C63 C64 109.7(3) . . ?
C62 C63 H24A 109.7 . . ?
C64 C63 H24A 109.7 . . ?
C62 C63 H24B 109.7 . . ?
C64 C63 H24B 109.7 . . ?
H24A C63 H24B 108.2 . . ?
C65 C64 C63 114.4(4) . . ?
C65 C64 H24C 108.7 . . ?
C63 C64 H24C 108.7 . . ?
C65 C64 H24D 108.7 . . ?
C63 C64 H24D 108.7 . . ?
H24C C64 H24D 107.6 . . ?
C64 C65 C66 111.9(4) . . ?
C64 C65 H33A 109.2 . . ?
C66 C65 H33A 109.2 . . ?
C64 C65 H33B 109.2 . . ?
C66 C65 H33B 109.2 . . ?
H33A C65 H33B 107.9 . . ?
C65 C66 H34Q 109.5 . . ?
C65 C66 H34R 109.5 . . ?
H34Q C66 H34R 109.5 . . ?
C65 C66 H34S 109.5 . . ?
H34Q C66 H34S 109.5 . . ?
H34R C66 H34S 109.5 . . ?
C68 C67 C72 117.7(3) . . ?
C68 C67 Pt4 128.3(3) . . ?
C72 C67 Pt4 113.6(3) . . ?
C67 C68 C69 121.3(4) . . ?
C67 C68 H108 119.3 . . ?
C69 C68 H108 119.3 . . ?
C70 C69 C68 120.5(4) . . ?
C70 C69 H206 119.8 . . ?
C68 C69 H206 119.8 . . ?
C71 C70 C69 119.6(4) . . ?
C71 C70 H305 120.2 . . ?
C69 C70 H305 120.2 . . ?
C70 C71 C72 120.2(4) . . ?
C70 C71 H205 119.9 . . ?
C72 C71 H205 119.9 . . ?
C71 C72 C67 120.6(4) . . ?
C71 C72 C73 123.6(4) . . ?
C67 C72 C73 115.8(3) . . ?
N13 C73 C74 121.2(4) . . ?
N13 C73 C72 113.6(3) . . ?
C74 C73 C72 125.2(4) . . ?
C75 C74 C73 119.0(4) . . ?
C75 C74 H283 120.5 . . ?
C73 C74 H283 120.5 . . ?
C74 C75 C76 120.2(4) . . ?
C74 C75 H201 119.9 . . ?
C76 C75 H201 119.9 . . ?
C75 C76 C77 119.6(4) . . ?
C75 C76 H282 120.2 . . ?
C77 C76 H282 120.2 . . ?
N13 C77 N15 119.8(3) . . ?
N13 C77 C76 119.8(4) . . ?
N15 C77 C76 120.4(3) . . ?
N14 C78 C79 120.4(4) . . ?
N14 C78 N15 119.5(3) . . ?
C79 C78 N15 120.1(3) . . ?
C80 C79 C78 120.1(4) . . ?
C80 C79 H112 119.9 . . ?
C78 C79 H112 119.9 . . ?
C79 C80 C81 119.6(4) . . ?
C79 C80 H207 120.2 . . ?
C81 C80 H207 120.2 . . ?
C82 C81 C80 117.8(4) . . ?
C82 C81 H288 121.1 . . ?
C80 C81 H288 121.1 . . ?
N14 C82 C81 123.3(4) . . ?
N14 C82 H110 118.4 . . ?
C81 C82 H110 118.4 . . ?
N15 C83 C84 114.8(3) . . ?
N15 C83 H16C 108.6 . . ?
C84 C83 H16C 108.6 . . ?
N15 C83 H16D 108.6 . . ?
C84 C83 H16D 108.6 . . ?
H16C C83 H16D 107.5 . . ?
C83 C84 C85 108.3(4) . . ?
C83 C84 H26A 110.0 . . ?
C85 C84 H26A 110.0 . . ?
C83 C84 H26B 110.0 . . ?
C85 C84 H26B 110.0 . . ?
H26A C84 H26B 108.4 . . ?
C86 C85 C84 115.1(4) . . ?
C86 C85 H32C 108.5 . . ?
C84 C85 H32C 108.5 . . ?
C86 C85 H32D 108.5 . . ?
C84 C85 H32D 108.5 . . ?
H32C C85 H32D 107.5 . . ?
C85 C86 C87 113.3(4) . . ?
C85 C86 H34J 108.9 . . ?
C87 C86 H34J 108.9 . . ?
C85 C86 H34K 108.9 . . ?
C87 C86 H34K 108.9 . . ?
H34J C86 H34K 107.7 . . ?
C86 C87 H34N 109.5 . . ?
C86 C87 H34O 109.5 . . ?
H34N C87 H34O 109.5 . . ?
C86 C87 H34P 109.5 . . ?
H34N C87 H34P 109.5 . . ?
H34O C87 H34P 109.5 . . ?
C93 C88 C89 114.8(3) . . ?
C93 C88 B1 123.0(3) . . ?
C89 C88 B1 122.3(3) . . ?
C90 C89 C88 122.9(3) . . ?
C90 C89 H121 118.6 . . ?
C88 C89 H121 118.6 . . ?
C91 C90 C89 120.8(3) . . ?
C91 C90 C94 118.3(3) . . ?
C89 C90 C94 120.8(3) . . ?
C92 C91 C90 117.9(3) . . ?
C92 C91 H147 121.0 . . ?
C90 C91 H147 121.0 . . ?
C91 C92 C93 120.7(3) . . ?
C91 C92 C95 120.1(3) . . ?
C93 C92 C95 119.2(3) . . ?
C92 C93 C88 123.0(3) . . ?
C92 C93 H124 118.5 . . ?
C88 C93 H124 118.5 . . ?
F3 C94 F1 105.9(3) . . ?
F3 C94 F2 106.8(3) . . ?
F1 C94 F2 104.8(3) . . ?
F3 C94 C90 112.1(3) . . ?
F1 C94 C90 113.1(3) . . ?
F2 C94 C90 113.5(3) . . ?
F6 C95 F4 107.2(3) . . ?
F6 C95 F5 107.2(3) . . ?
F4 C95 F5 104.7(3) . . ?
F6 C95 C92 113.2(3) . . ?
F4 C95 C92 112.3(3) . . ?
F5 C95 C92 111.6(3) . . ?
C101 C96 C97 114.9(3) . . ?
C101 C96 B1 120.1(3) . . ?
C97 C96 B1 125.0(3) . . ?
C98 C97 C96 122.3(3) . . ?
C98 C97 H130 118.8 . . ?
C96 C97 H130 118.8 . . ?
C99 C98 C97 121.0(3) . . ?
C99 C98 C102 118.0(3) . . ?
C97 C98 C102 121.0(3) . . ?
C100 C99 C98 117.6(3) . . ?
C100 C99 H256 121.2 . . ?
C98 C99 H256 121.2 . . ?
C99 C100 C101 121.0(4) . . ?
C99 C100 C103 120.4(4) . . ?
C101 C100 C103 118.6(4) . . ?
C100 C101 C96 123.1(3) . . ?
C100 C101 H148 118.4 . . ?
C96 C101 H148 118.4 . . ?
F7 C102 F8 108.1(4) . . ?
F7 C102 F9 104.6(4) . . ?
F8 C102 F9 104.0(3) . . ?
F7 C102 C98 114.0(3) . . ?
F8 C102 C98 112.6(4) . . ?
F9 C102 C98 112.8(3) . . ?
F11 C103 F12 107.5(4) . . ?
F11 C103 F10 107.1(4) . . ?
F12 C103 F10 104.7(4) . . ?
F11 C103 C100 113.0(4) . . ?
F12 C103 C100 112.0(4) . . ?
F10 C103 C100 112.1(4) . . ?
C105 C104 C109 115.4(3) . . ?
C105 C104 B1 121.7(3) . . ?
C109 C104 B1 122.9(3) . . ?
C106 C105 C104 122.3(3) . . ?
C106 C105 H118 118.8 . . ?
C104 C105 H118 118.8 . . ?
C107 C106 C105 120.9(3) . . ?
C107 C106 C110 119.5(3) . . ?
C105 C106 C110 119.6(3) . . ?
C108 C107 C106 118.3(3) . . ?
C108 C107 H116 120.9 . . ?
C106 C107 H116 120.9 . . ?
C107 C108 C109 121.1(3) . . ?
C107 C108 C111 119.0(3) . . ?
C109 C108 C111 119.9(3) . . ?
C108 C109 C104 122.1(3) . . ?
C108 C109 H125 119.0 . . ?
C104 C109 H125 119.0 . . ?
F16 C110 F17 107.1(3) . . ?
F16 C110 F18 106.4(3) . . ?
F17 C110 F18 104.1(3) . . ?
F16 C110 C106 113.4(3) . . ?
F17 C110 C106 113.3(3) . . ?
F18 C110 C106 111.9(3) . . ?
F14A C111 F15A 105.1(8) . . ?
F13 C111 F15 106.6(5) . . ?
F13 C111 F14 105.9(4) . . ?
F15 C111 F14 104.1(5) . . ?
F14A C111 F13A 107.1(9) . . ?
F15A C111 F13A 104.3(9) . . ?
F14A C111 C108 117.7(6) . . ?
F13 C111 C108 114.8(3) . . ?
F15A C111 C108 112.3(7) . . ?
F15 C111 C108 112.7(4) . . ?
F14 C111 C108 111.9(4) . . ?
F13A C111 C108 109.3(7) . . ?
C117 C112 C113 114.8(3) . . ?
C117 C112 B1 124.6(3) . . ?
C113 C112 B1 120.5(3) . . ?
C114 C113 C112 123.4(3) . . ?
C114 C113 H156 118.3 . . ?
C112 C113 H156 118.3 . . ?
C113 C114 C115 120.6(4) . . ?
C113 C114 C118 119.5(4) . . ?
C115 C114 C118 119.9(4) . . ?
C116 C115 C114 117.3(3) . . ?
C116 C115 H154 121.3 . . ?
C114 C115 H154 121.3 . . ?
C115 C116 C117 121.7(4) . . ?
C115 C116 C119 118.7(4) . . ?
C117 C116 C119 119.6(4) . . ?
C116 C117 C112 122.1(4) . . ?
C116 C117 H153 118.9 . . ?
C112 C117 H153 118.9 . . ?
F22 C118 F23 106.0(4) . . ?
F22 C118 F24 106.0(4) . . ?
F23 C118 F24 106.2(4) . . ?
F22 C118 C114 113.9(4) . . ?
F23 C118 C114 112.2(4) . . ?
F24 C118 C114 112.0(4) . . ?
F20A C119 F19A 111.7(8) . . ?
F19 C119 F21 111.7(5) . . ?
F20A C119 F21A 110.6(7) . . ?
F19A C119 F21A 99.2(6) . . ?
F19 C119 F20 103.6(5) . . ?
F21 C119 F20 95.9(5) . . ?
F20A C119 C116 115.4(5) . . ?
F19 C119 C116 117.9(5) . . ?
F19A C119 C116 110.3(5) . . ?
F21 C119 C116 114.1(4) . . ?
F21A C119 C116 108.3(5) . . ?
F20 C119 C116 110.9(4) . . ?
C121 C120 C125 115.7(3) . . ?
C121 C120 B2 120.1(3) . . ?
C125 C120 B2 124.1(3) . . ?
C122 C121 C120 122.4(3) . . ?
C122 C121 H184 118.8 . . ?
C120 C121 H184 118.8 . . ?
C121 C122 C123 120.7(3) . . ?
C121 C122 C126 118.9(4) . . ?
C123 C122 C126 120.4(3) . . ?
C124 C123 C122 118.0(3) . . ?
C124 C123 H182 121.0 . . ?
C122 C123 H182 121.0 . . ?
C123 C124 C125 121.1(3) . . ?
C123 C124 C127 119.7(4) . . ?
C125 C124 C127 119.1(3) . . ?
C124 C125 C120 121.9(3) . . ?
C124 C125 H185 119.0 . . ?
C120 C125 H185 119.0 . . ?
F30 C126 F29 110.4(6) . . ?
F28A C126 F30A 108.6(7) . . ?
F28A C126 F29A 103.9(7) . . ?
F30A C126 F29A 100.5(7) . . ?
F30 C126 F28 106.2(6) . . ?
F29 C126 F28 102.8(6) . . ?
F28A C126 C122 119.5(6) . . ?
F30 C126 C122 115.2(5) . . ?
F29 C126 C122 112.1(5) . . ?
F30A C126 C122 111.3(6) . . ?
F29A C126 C122 111.2(5) . . ?
F28 C126 C122 109.2(5) . . ?
F25 C127 F26 105.8(4) . . ?
F25 C127 F27 106.5(4) . . ?
F26 C127 F27 104.1(4) . . ?
F25 C127 C124 112.9(4) . . ?
F26 C127 C124 112.8(4) . . ?
F27 C127 C124 114.0(4) . . ?
C129 C128 C133 116.2(3) . . ?
C129 C128 B2 119.5(3) . . ?
C133 C128 B2 123.9(3) . . ?
C130 C129 C128 122.5(3) . . ?
C130 C129 H281 118.8 . . ?
C128 C129 H281 118.8 . . ?
C129 C130 C131 120.4(4) . . ?
C129 C130 C134 119.5(4) . . ?
C131 C130 C134 120.0(4) . . ?
C132 C131 C130 118.2(4) . . ?
C132 C131 H203 120.9 . . ?
C130 C131 H203 120.9 . . ?
C131 C132 C133 120.8(3) . . ?
C131 C132 C135 119.6(4) . . ?
C133 C132 C135 119.5(4) . . ?
C132 C133 C128 121.8(3) . . ?
C132 C133 H285 119.1 . . ?
C128 C133 H285 119.1 . . ?
F34 C134 F35 115.3(5) . . ?
F34 C134 F36 101.1(5) . . ?
F35 C134 F36 100.8(4) . . ?
F34 C134 C130 114.5(4) . . ?
F35 C134 C130 112.6(5) . . ?
F36 C134 C130 111.0(5) . . ?
F33 C135 F31 107.8(5) . . ?
F33 C135 F32 105.5(4) . . ?
F31 C135 F32 102.8(4) . . ?
F33 C135 C132 113.5(4) . . ?
F31 C135 C132 112.4(4) . . ?
F32 C135 C132 114.0(4) . . ?
C141 C136 C137 115.6(3) . . ?
C141 C136 B2 123.3(3) . . ?
C137 C136 B2 120.9(3) . . ?
C138 C137 C136 122.3(3) . . ?
C138 C137 H141 118.9 . . ?
C136 C137 H141 118.9 . . ?
C137 C138 C139 120.6(3) . . ?
C137 C138 C142 121.0(3) . . ?
C139 C138 C142 118.3(3) . . ?
C140 C139 C138 118.0(3) . . ?
C140 C139 H143 121.0 . . ?
C138 C139 H143 121.0 . . ?
C139 C140 C141 121.2(3) . . ?
C139 C140 C143 120.7(3) . . ?
C141 C140 C143 118.1(3) . . ?
C136 C141 C140 122.3(3) . . ?
C136 C141 H145 118.9 . . ?
C140 C141 H145 118.9 . . ?
F42 C142 F40 106.6(4) . . ?
F42 C142 F41 106.6(4) . . ?
F40 C142 F41 103.1(4) . . ?
F42 C142 C138 114.6(3) . . ?
F40 C142 C138 112.9(3) . . ?
F41 C142 C138 112.2(4) . . ?
F39 C143 F37 113.5(5) . . ?
F39 C143 F38 98.6(5) . . ?
F37 C143 F38 102.0(5) . . ?
F39 C143 C140 114.7(4) . . ?
F37 C143 C140 115.2(3) . . ?
F38 C143 C140 110.5(4) . . ?
C145 C144 C149 115.7(3) . . ?
C145 C144 B2 120.9(3) . . ?
C149 C144 B2 123.3(3) . . ?
C146 C145 C144 122.3(3) . . ?
C146 C145 H186 118.9 . . ?
C144 C145 H186 118.9 . . ?
C147 C146 C145 121.1(3) . . ?
C147 C146 C150 120.5(3) . . ?
C145 C146 C150 118.3(3) . . ?
C148 C147 C146 117.5(3) . . ?
C148 C147 H189 121.2 . . ?
C146 C147 H189 121.2 . . ?
C147 C148 C149 121.2(3) . . ?
C147 C148 C151 120.1(3) . . ?
C149 C148 C151 118.7(3) . . ?
C148 C149 C144 122.1(3) . . ?
C148 C149 H190 119.0 . . ?
C144 C149 H190 119.0 . . ?
F46 C150 F48 106.8(3) . . ?
F46 C150 F47 106.3(3) . . ?
F48 C150 F47 105.6(3) . . ?
F46 C150 C146 113.3(3) . . ?
F48 C150 C146 112.4(3) . . ?
F47 C150 C146 112.0(3) . . ?
F43 C151 F45 106.9(3) . . ?
F43 C151 F44 107.1(4) . . ?
F45 C151 F44 105.1(3) . . ?
F43 C151 C148 112.1(3) . . ?
F45 C151 C148 112.9(3) . . ?
F44 C151 C148 112.2(3) . . ?
C88 B1 C104 109.0(3) . . ?
C88 B1 C112 111.0(3) . . ?
C104 B1 C112 108.1(3) . . ?
C88 B1 C96 111.7(3) . . ?
C104 B1 C96 108.1(3) . . ?
C112 B1 C96 108.8(3) . . ?
C128 B2 C120 113.0(3) . . ?
C128 B2 C144 103.6(3) . . ?
C120 B2 C144 112.0(3) . . ?
C128 B2 C136 112.5(3) . . ?
C120 B2 C136 104.4(3) . . ?
C144 B2 C136 111.6(3) . . ?
C12 N2 C8 120.4(3) . . ?
C12 N2 Pt1 124.6(3) . . ?
C8 N2 Pt1 114.8(3) . . ?
C13 N3 C17 117.3(4) . . ?
C13 N3 Pt1 122.6(3) . . ?
C17 N3 Pt1 119.7(3) . . ?
C12 N4 C13 125.7(4) . . ?
C12 N4 C18 116.4(4) . . ?
C13 N4 C18 117.4(4) . . ?
C34 N6 C30 120.7(3) . . ?
C34 N6 Pt2 124.7(3) . . ?
C30 N6 Pt2 114.6(2) . . ?
C35 N7 C39 118.1(3) . . ?
C35 N7 Pt2 123.4(2) . . ?
C39 N7 Pt2 118.1(2) . . ?
C34 N8 C35 124.8(3) . . ?
C34 N8 C40 115.6(3) . . ?
C35 N8 C40 117.2(3) . . ?
C45 N9 Pt3 178.1(3) . . ?
C56 N10 C52 119.7(3) . . ?
C56 N10 Pt3 124.8(2) . . ?
C52 N10 Pt3 115.5(3) . . ?
C57 N11 C61 118.0(3) . . ?
C57 N11 Pt3 122.1(2) . . ?
C61 N11 Pt3 119.7(2) . . ?
C57 N12 C56 124.6(3) . . ?
C57 N12 C62 118.0(3) . . ?
C56 N12 C62 116.2(3) . . ?
C77 N13 C73 119.8(3) . . ?
C77 N13 Pt4 124.7(3) . . ?
C73 N13 Pt4 115.2(2) . . ?
C82 N14 C78 118.7(3) . . ?
C82 N14 Pt4 118.2(2) . . ?
C78 N14 Pt4 121.8(2) . . ?
C77 N15 C78 124.9(3) . . ?
C77 N15 C83 115.2(3) . . ?
C78 N15 C83 116.7(3) . . ?
C1 Pt1 C2 93.39(16) . . ?
C1 Pt1 N2 170.56(14) . . ?
C2 Pt1 N2 81.94(15) . . ?
C1 Pt1 N3 95.06(14) . . ?
C2 Pt1 N3 167.54(15) . . ?
N2 Pt1 N3 90.92(14) . . ?
C23 Pt2 C24 92.59(14) . . ?
C23 Pt2 N6 172.41(13) . . ?
C24 Pt2 N6 82.53(14) . . ?
C23 Pt2 N7 95.27(12) . . ?
C24 Pt2 N7 168.59(13) . . ?
N6 Pt2 N7 90.44(12) . . ?
N9 Pt3 C46 94.76(15) . . ?
N9 Pt3 N10 175.43(12) . . ?
C46 Pt3 N10 81.79(14) . . ?
N9 Pt3 N11 93.69(12) . . ?
C46 Pt3 N11 168.72(14) . . ?
N10 Pt3 N11 90.13(12) . . ?
C45 Pt4 C67 93.57(14) . . ?
C45 Pt4 N13 170.36(13) . . ?
C67 Pt4 N13 81.85(14) . . ?
C45 Pt4 N14 94.69(12) . . ?
C67 Pt4 N14 166.65(13) . . ?
N13 Pt4 N14 91.43(12) . . ?

_refine_diff_density_max         2.146
_refine_diff_density_min         -1.780
_refine_diff_density_rms         0.101

_exptl_crystal_preparation       Luminescent
