# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2151291'
loop_
_audit_author_name
_audit_author_address
'Irene Ara'
;University of Zaragoza
Spain
;
_audit_update_record             
;
2022-02-10 deposited with the CCDC.	2022-09-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C83.50 H71 Cl3 F12 N8 P4 Pt2'
_chemical_formula_weight         2034.89

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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                   48.516(2)
_cell_length_b                   10.0725(4)
_cell_length_c                   32.0266(13)
_cell_angle_alpha                90
_cell_angle_beta                 90.565(2)
_cell_angle_gamma                90
_cell_volume                     15649.9(11)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9920
_cell_measurement_theta_min      2.162
_cell_measurement_theta_max      28.279

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_F_000             8024
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    3.837
_shelx_estimated_absorpt_T_min   0.678
_shelx_estimated_absorpt_T_max   0.927
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6469
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   
;
 SADABS: Area-Detector Absorption Correction. (1996) Bruker-AXS 
 within APEX2 package.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and π scans'
_diffrn_source                   'high brilliance microfocus sealed tube'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            278162
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_limit_h_min       -64
_diffrn_reflns_limit_h_max       64
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_theta_min         2.065
_diffrn_reflns_theta_max         28.346
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             19522
_reflns_number_gt                18278
_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_cell_refinement       'SAINT V8.40B (Bruker AXS, 2016) in APEX4'
_computing_data_collection       'SAINT V8.40B (Bruker AXS, 2016) in APEX4'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS, 2016) in APEX4'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'XP program, SHELXTL v6.12, Bruker2000'
_computing_publication_material  'XCIF program, PLATON(Spek, 1998)'
_refine_special_details          
;
The hydrogen atoms have been included in the model in calculated positions and
refined with a riding model.Residual electron density was modelled as lattice CH2Cl2:
one molecule at full occupancy and other molecule at half occupancy.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0272P)²+226.3910P] 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         19522
_refine_ls_number_parameters     1012
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0463
_refine_ls_wR_factor_ref         0.0987
_refine_ls_wR_factor_gt          0.0972
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_restrained_S_all      1.188
_refine_ls_shift/su_max          0.001
_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
Pt1 Pt 0.43155(2) 0.32402(2) 0.13403(2) 0.01417(5) Uani 1 1 d . . . . .
Pt2 Pt 0.32306(2) 0.13697(2) 0.39472(2) 0.01568(5) Uani 1 1 d . . . . .
P1 P 0.40650(2) 0.51527(12) 0.12853(4) 0.0146(2) Uani 1 1 d . . . . .
P2 P 0.35823(3) 0.28147(12) 0.38293(4) 0.0160(2) Uani 1 1 d . . . . .
P3 P 0.25417(3) 0.02587(18) 0.62479(6) 0.0373(4) Uani 1 1 d . . . . .
P4 P 0.47698(3) 0.64680(14) 0.37637(5) 0.0269(3) Uani 1 1 d . . . . .
F1 F 0.27672(13) 0.0984(8) 0.6013(3) 0.147(4) Uani 1 1 d . . . . .
F2 F 0.2408(2) -0.0410(10) 0.5885(3) 0.214(7) Uani 1 1 d . . . . .
F3 F 0.23323(15) -0.0417(8) 0.6549(3) 0.156(4) Uani 1 1 d . . . . .
F4 F 0.2673(2) 0.0846(8) 0.6656(2) 0.138(4) Uani 1 1 d . . . . .
F5 F 0.23406(9) 0.1504(4) 0.62009(16) 0.0578(12) Uani 1 1 d . . . . .
F6 F 0.27435(8) -0.1006(4) 0.63079(14) 0.0486(10) Uani 1 1 d . . . . .
F7 F 0.48711(7) 0.7109(4) 0.33328(11) 0.0353(8) Uani 1 1 d . . . . .
F8 F 0.46423(7) 0.7876(3) 0.38982(12) 0.0383(8) Uani 1 1 d . . . . .
F9 F 0.50568(7) 0.6860(3) 0.39796(11) 0.0348(8) Uani 1 1 d . . . . .
F10 F 0.46641(10) 0.5829(4) 0.41869(13) 0.0524(11) Uani 1 1 d . . . . .
F11 F 0.48976(7) 0.5061(3) 0.36252(12) 0.0356(8) Uani 1 1 d . . . . .
F12 F 0.44837(7) 0.6084(4) 0.35407(15) 0.0511(11) Uani 1 1 d . . . . .
N1 N 0.45476(8) 0.0869(4) 0.09888(13) 0.0190(8) Uani 1 1 d . . . . .
N2 N 0.47973(8) 0.1174(4) 0.15346(13) 0.0196(8) Uani 1 1 d . . . . .
N3 N 0.37119(8) 0.2411(4) -0.01097(12) 0.0180(8) Uani 1 1 d . . . . .
N4 N 0.43938(8) 0.3705(4) 0.19741(12) 0.0181(8) Uani 1 1 d . . . . .
N5 N 0.28344(8) -0.0526(4) 0.36398(13) 0.0204(8) Uani 1 1 d . . . . .
N6 N 0.26454(9) 0.0214(5) 0.41968(14) 0.0245(9) Uani 1 1 d . . . . .
N7 N 0.36588(9) -0.0325(4) 0.24422(12) 0.0190(8) Uani 1 1 d . . . . .
N8 N 0.32144(9) 0.2023(4) 0.45781(13) 0.0196(8) Uani 1 1 d . . . . .
C1 C 0.45823(10) 0.1692(5) 0.13198(15) 0.0180(9) Uani 1 1 d . . . . .
C3 C 0.47312(10) -0.0172(5) 0.09982(17) 0.0233(10) Uani 1 1 d . . . . .
H3 H 0.474405 -0.087978 0.080338 0.028 Uiso 1 1 calc R U . . .
C4 C 0.48907(11) 0.0025(5) 0.13455(17) 0.0242(10) Uani 1 1 d . . . . .
H4 H 0.503804 -0.052296 0.143991 0.029 Uiso 1 1 calc R U . . .
C6 C 0.49317(11) 0.1752(6) 0.19001(17) 0.0284(12) Uani 1 1 d . . . . .
H6A H 0.508193 0.117099 0.199400 0.043 Uiso 1 1 calc R U . . .
H6B H 0.500632 0.262587 0.182792 0.043 Uiso 1 1 calc R U . . .
H6C H 0.479722 0.184966 0.212441 0.043 Uiso 1 1 calc R U . . .
C7 C 0.43462(10) 0.1244(5) 0.06851(15) 0.0181(9) Uani 1 1 d . . . . .
C8 C 0.42112(9) 0.2450(5) 0.07799(14) 0.0155(9) Uani 1 1 d . . . . .
C9 C 0.40051(10) 0.2824(5) 0.04982(15) 0.0178(9) Uani 1 1 d . . . . .
H9 H 0.390631 0.362392 0.054420 0.021 Uiso 1 1 calc R U . . .
C10 C 0.39401(10) 0.2046(5) 0.01484(15) 0.0171(9) Uani 1 1 d . . . . .
C11 C 0.40832(11) 0.0888(5) 0.00648(16) 0.0222(10) Uani 1 1 d . . . . .
H11 H 0.403938 0.037349 -0.017542 0.027 Uiso 1 1 calc R U . . .
C12 C 0.42915(11) 0.0490(5) 0.03368(16) 0.0225(10) Uani 1 1 d . . . . .
H12 H 0.439471 -0.029171 0.028303 0.027 Uiso 1 1 calc R U . . .
C13 C 0.37123(10) 0.2480(5) -0.05456(15) 0.0175(9) Uani 1 1 d . . . . .
C14 C 0.39367(10) 0.2642(5) -0.08104(15) 0.0205(10) Uani 1 1 d . . . . .
H14 H 0.412052 0.265623 -0.070544 0.025 Uiso 1 1 calc R U . . .
C15 C 0.38797(11) 0.2781(5) -0.12340(16) 0.0230(10) Uani 1 1 d . . . . .
H15 H 0.402775 0.288601 -0.142298 0.028 Uiso 1 1 calc R U . . .
C16 C 0.36082(12) 0.2769(5) -0.13888(15) 0.0248(11) Uani 1 1 d . . . . .
H16 H 0.357622 0.284927 -0.168080 0.030 Uiso 1 1 calc R U . . .
C17 C 0.33859(11) 0.2641(5) -0.11233(16) 0.0216(10) Uani 1 1 d . . . . .
H17 H 0.320215 0.265588 -0.122841 0.026 Uiso 1 1 calc R U . . .
C18 C 0.34400(10) 0.2489(5) -0.06952(15) 0.0187(9) Uani 1 1 d . . . . .
C19 C 0.32630(10) 0.2399(5) -0.03335(15) 0.0188(9) Uani 1 1 d . . . . .
C20 C 0.29783(10) 0.2356(5) -0.02785(17) 0.0230(10) Uani 1 1 d . . . . .
H20 H 0.285592 0.242117 -0.051095 0.028 Uiso 1 1 calc R U . . .
C21 C 0.28784(11) 0.2216(6) 0.01204(18) 0.0282(11) Uani 1 1 d . . . . .
H21 H 0.268491 0.216766 0.016071 0.034 Uiso 1 1 calc R U . . .
C22 C 0.30549(11) 0.2145(6) 0.04669(18) 0.0272(11) Uani 1 1 d . . . . .
H22 H 0.297946 0.204371 0.073764 0.033 Uiso 1 1 calc R U . . .
C23 C 0.33378(11) 0.2219(5) 0.04220(16) 0.0219(10) Uani 1 1 d . . . . .
H23 H 0.345824 0.218644 0.065745 0.026 Uiso 1 1 calc R U . . .
C24 C 0.34394(10) 0.2343(5) 0.00192(15) 0.0183(9) Uani 1 1 d . . . . .
C25 C 0.40956(10) 0.5965(5) 0.07766(14) 0.0160(9) Uani 1 1 d . . . . .
C26 C 0.43497(11) 0.5867(6) 0.05767(17) 0.0254(11) Uani 1 1 d . . . . .
H26 H 0.449657 0.538271 0.070236 0.031 Uiso 1 1 calc R U . . .
C27 C 0.43859(12) 0.6484(6) 0.01933(18) 0.0303(12) Uani 1 1 d . . . . .
H27 H 0.455781 0.641552 0.005550 0.036 Uiso 1 1 calc R U . . .
C28 C 0.41720(12) 0.7199(5) 0.00106(16) 0.0253(11) Uani 1 1 d . . . . .
H28 H 0.419822 0.762496 -0.025073 0.030 Uiso 1 1 calc R U . . .
C29 C 0.39226(12) 0.7292(5) 0.02071(16) 0.0255(11) Uani 1 1 d . . . . .
H29 H 0.377652 0.778394 0.008193 0.031 Uiso 1 1 calc R U . . .
C30 C 0.38833(11) 0.6666(5) 0.05904(16) 0.0227(10) Uani 1 1 d . . . . .
H30 H 0.370965 0.672212 0.072374 0.027 Uiso 1 1 calc R U . . .
C31 C 0.37014(10) 0.5098(5) 0.14035(14) 0.0164(9) Uani 1 1 d . . . . .
C32 C 0.35703(11) 0.3870(5) 0.14296(16) 0.0228(10) Uani 1 1 d . . . . .
H32 H 0.367287 0.307679 0.139143 0.027 Uiso 1 1 calc R U . . .
C33 C 0.32915(12) 0.3805(6) 0.15109(18) 0.0296(12) Uani 1 1 d . . . . .
H33 H 0.320334 0.296435 0.152587 0.036 Uiso 1 1 calc R U . . .
C34 C 0.31394(11) 0.4949(6) 0.15708(17) 0.0290(12) Uani 1 1 d . . . . .
H34 H 0.294752 0.489277 0.162422 0.035 Uiso 1 1 calc R U . . .
C35 C 0.32680(11) 0.6186(6) 0.15528(15) 0.0241(11) Uani 1 1 d . . . . .
H35 H 0.316396 0.697290 0.159410 0.029 Uiso 1 1 calc R U . . .
C36 C 0.35485(11) 0.6264(5) 0.14744(14) 0.0196(9) Uani 1 1 d . . . . .
H36 H 0.363739 0.710422 0.146856 0.024 Uiso 1 1 calc R U . . .
C37 C 0.42161(10) 0.6393(5) 0.16437(15) 0.0192(9) Uani 1 1 d . . . . .
H37A H 0.422789 0.725740 0.149811 0.023 Uiso 1 1 calc R U . . .
H37B H 0.409320 0.650555 0.188613 0.023 Uiso 1 1 calc R U . . .
C38 C 0.45058(10) 0.5993(5) 0.18014(15) 0.0186(9) Uani 1 1 d . . . . .
H38A H 0.461897 0.570353 0.156247 0.022 Uiso 1 1 calc R U . . .
H38B H 0.459704 0.676946 0.193224 0.022 Uiso 1 1 calc R U . . .
C39 C 0.44870(10) 0.4888(5) 0.21134(15) 0.0190(9) Uani 1 1 d . . . . .
C40 C 0.45448(11) 0.5071(5) 0.25357(16) 0.0246(11) Uani 1 1 d . . . . .
H40 H 0.461322 0.590066 0.263234 0.030 Uiso 1 1 calc R U . . .
C41 C 0.45027(12) 0.4044(6) 0.28152(16) 0.0278(11) Uani 1 1 d . . . . .
H41 H 0.454733 0.415193 0.310265 0.033 Uiso 1 1 calc R U . . .
C42 C 0.43946(11) 0.2856(6) 0.26694(17) 0.0270(11) Uani 1 1 d . . . . .
H42 H 0.435667 0.214905 0.285666 0.032 Uiso 1 1 calc R U . . .
C43 C 0.43434(11) 0.2720(5) 0.22492(16) 0.0220(10) Uani 1 1 d . . . . .
H43 H 0.427000 0.190485 0.214841 0.026 Uiso 1 1 calc R U . . .
C44 C 0.28791(10) 0.0326(5) 0.39718(15) 0.0186(9) Uani 1 1 d . . . . .
C45 C 0.25865(11) -0.1179(6) 0.36732(17) 0.0272(11) Uani 1 1 d . . . . .
H45 H 0.251402 -0.183068 0.348785 0.033 Uiso 1 1 calc R U . . .
C46 C 0.24673(11) -0.0711(6) 0.40203(18) 0.0285(12) Uani 1 1 d . . . . .
H46 H 0.229280 -0.096615 0.412572 0.034 Uiso 1 1 calc R U . . .
C47 C 0.25753(12) 0.1000(7) 0.45635(19) 0.0344(13) Uani 1 1 d . . . . .
H47A H 0.239495 0.072102 0.466717 0.052 Uiso 1 1 calc R U . . .
H47B H 0.271536 0.086409 0.478188 0.052 Uiso 1 1 calc R U . . .
H47C H 0.256849 0.194170 0.448757 0.052 Uiso 1 1 calc R U . . .
C48 C 0.30357(10) -0.0490(5) 0.33216(15) 0.0203(10) Uani 1 1 d . . . . .
C49 C 0.32472(10) 0.0434(5) 0.33923(15) 0.0177(9) Uani 1 1 d . . . . .
C50 C 0.34490(10) 0.0476(5) 0.30819(15) 0.0187(9) Uani 1 1 d . . . . .
H50 H 0.359579 0.109602 0.310652 0.022 Uiso 1 1 calc R U . . .
C51 C 0.34388(10) -0.0372(5) 0.27379(15) 0.0195(9) Uani 1 1 d . . . . .
C52 C 0.32251(11) -0.1271(5) 0.26792(15) 0.0216(10) Uani 1 1 d . . . . .
H52 H 0.322027 -0.183280 0.244111 0.026 Uiso 1 1 calc R U . . .
C53 C 0.30182(11) -0.1332(5) 0.29760(16) 0.0242(10) Uani 1 1 d . . . . .
H53 H 0.286838 -0.193168 0.294428 0.029 Uiso 1 1 calc R U . . .
C54 C 0.39360(10) -0.0530(5) 0.25309(15) 0.0188(9) Uani 1 1 d . . . . .
C55 C 0.40674(11) -0.0719(5) 0.29192(16) 0.0224(10) Uani 1 1 d . . . . .
H55 H 0.396601 -0.070050 0.317137 0.027 Uiso 1 1 calc R U . . .
C56 C 0.43494(11) -0.0934(5) 0.29227(17) 0.0255(11) Uani 1 1 d . . . . .
H56 H 0.444213 -0.106459 0.318204 0.031 Uiso 1 1 calc R U . . .
C57 C 0.45007(11) -0.0962(5) 0.25542(17) 0.0252(11) Uani 1 1 d . . . . .
H57 H 0.469363 -0.112003 0.256631 0.030 Uiso 1 1 calc R U . . .
C58 C 0.43723(11) -0.0762(5) 0.21709(16) 0.0221(10) Uani 1 1 d . . . . .
H58 H 0.447615 -0.076218 0.192098 0.027 Uiso 1 1 calc R U . . .
C59 C 0.40871(10) -0.0559(5) 0.21585(15) 0.0191(9) Uani 1 1 d . . . . .
C60 C 0.38887(10) -0.0368(4) 0.18213(15) 0.0176(9) Uani 1 1 d . . . . .
C61 C 0.39093(11) -0.0304(5) 0.13878(16) 0.0222(10) Uani 1 1 d . . . . .
H61 H 0.408371 -0.038248 0.125792 0.027 Uiso 1 1 calc R U . . .
C62 C 0.36747(12) -0.0126(5) 0.11501(16) 0.0255(11) Uani 1 1 d . . . . .
H62 H 0.368712 -0.009892 0.085440 0.031 Uiso 1 1 calc R U . . .
C63 C 0.34177(12) 0.0016(5) 0.13397(16) 0.0241(10) Uani 1 1 d . . . . .
H63 H 0.325888 0.015615 0.116948 0.029 Uiso 1 1 calc R U . . .
C64 C 0.33887(11) -0.0044(5) 0.17712(16) 0.0232(10) Uani 1 1 d . . . . .
H64 H 0.321374 0.004905 0.189842 0.028 Uiso 1 1 calc R U . . .
C65 C 0.36272(10) -0.0245(5) 0.20086(15) 0.0186(9) Uani 1 1 d . . . . .
C66 C 0.39369(10) 0.2274(5) 0.38775(15) 0.0186(9) Uani 1 1 d . . . . .
C67 C 0.39927(11) 0.0920(5) 0.39288(15) 0.0200(9) Uani 1 1 d . . . . .
H67 H 0.384655 0.029246 0.391921 0.024 Uiso 1 1 calc R U . . .
C68 C 0.42614(11) 0.0496(5) 0.39935(16) 0.0234(10) Uani 1 1 d . . . . .
H68 H 0.429852 -0.042267 0.403144 0.028 Uiso 1 1 calc R U . . .
C69 C 0.44766(11) 0.1402(6) 0.40033(16) 0.0254(11) Uani 1 1 d . . . . .
H69 H 0.466047 0.110447 0.404761 0.031 Uiso 1 1 calc R U . . .
C70 C 0.44227(11) 0.2739(6) 0.39484(16) 0.0259(11) Uani 1 1 d . . . . .
H70 H 0.457025 0.335935 0.395280 0.031 Uiso 1 1 calc R U . . .
C71 C 0.41546(10) 0.3180(5) 0.38871(15) 0.0212(10) Uani 1 1 d . . . . .
H71 H 0.411904 0.410023 0.385147 0.025 Uiso 1 1 calc R U . . .
C72 C 0.35462(10) 0.3671(5) 0.33320(15) 0.0199(9) Uani 1 1 d . . . . .
C73 C 0.37661(12) 0.3941(6) 0.30728(17) 0.0285(12) Uani 1 1 d . . . . .
H73 H 0.394563 0.363896 0.314615 0.034 Uiso 1 1 calc R U . . .
C74 C 0.37249(13) 0.4652(7) 0.27061(19) 0.0380(14) Uani 1 1 d . . . . .
H74 H 0.387608 0.482138 0.252759 0.046 Uiso 1 1 calc R U . . .
C75 C 0.34677(14) 0.5113(6) 0.25996(17) 0.0341(13) Uani 1 1 d . . . . .
H75 H 0.344239 0.561398 0.235087 0.041 Uiso 1 1 calc R U . . .
C76 C 0.32465(13) 0.4852(6) 0.28509(18) 0.0314(12) Uani 1 1 d . . . . .
H76 H 0.306844 0.516588 0.277423 0.038 Uiso 1 1 calc R U . . .
C77 C 0.32829(11) 0.4126(6) 0.32194(17) 0.0264(11) Uani 1 1 d . . . . .
H77 H 0.312976 0.394125 0.339262 0.032 Uiso 1 1 calc R U . . .
C78 C 0.35575(10) 0.4180(5) 0.42067(15) 0.0194(9) Uani 1 1 d . . . . .
H78A H 0.368396 0.400833 0.444499 0.023 Uiso 1 1 calc R U . . .
H78B H 0.361517 0.501905 0.407208 0.023 Uiso 1 1 calc R U . . .
C79 C 0.32612(11) 0.4329(5) 0.43679(16) 0.0227(10) Uani 1 1 d . . . . .
H79A H 0.323500 0.522935 0.448497 0.027 Uiso 1 1 calc R U . . .
H79B H 0.312797 0.420719 0.413490 0.027 Uiso 1 1 calc R U . . .
C80 C 0.32116(10) 0.3307(5) 0.46987(16) 0.0214(10) Uani 1 1 d . . . . .
C81 C 0.31807(11) 0.3658(6) 0.51131(16) 0.0255(11) Uani 1 1 d . . . . .
H81 H 0.317424 0.456763 0.519070 0.031 Uiso 1 1 calc R U . . .
C82 C 0.31593(12) 0.2678(6) 0.54147(17) 0.0299(12) Uani 1 1 d . . . . .
H82 H 0.313436 0.290613 0.569968 0.036 Uiso 1 1 calc R U . . .
C83 C 0.31748(12) 0.1368(6) 0.52947(18) 0.0294(12) Uani 1 1 d . . . . .
H83 H 0.316711 0.067754 0.549625 0.035 Uiso 1 1 calc R U . . .
C84 C 0.32018(11) 0.1076(5) 0.48755(16) 0.0236(10) Uani 1 1 d . . . . .
H84 H 0.321196 0.017158 0.479327 0.028 Uiso 1 1 calc R U . . .
C85 C 0.23178(15) 0.2716(8) 0.7224(2) 0.0463(17) Uani 1 1 d . . . . .
H85A H 0.217723 0.295666 0.701066 0.056 Uiso 1 1 calc R U . . .
H85B H 0.239040 0.182581 0.715359 0.056 Uiso 1 1 calc R U . . .
Cl1 Cl 0.25880(4) 0.3881(2) 0.72141(7) 0.0645(6) Uani 1 1 d . . . . .
Cl2 Cl 0.21645(5) 0.2665(2) 0.77169(7) 0.0621(5) Uani 1 1 d . . . . .
C86 C 0.4822(3) 0.2740(15) 0.0013(5) 0.048(3) Uiso 0.5 1 d . . P . .
H86A H 0.487712 0.323568 -0.024034 0.058 Uiso 0.5 1 calc R U P . .
H86B H 0.461865 0.267967 0.001314 0.058 Uiso 0.5 1 calc R U P . .
Cl3 Cl 0.49345(6) 0.3602(3) 0.04570(10) 0.0357(6) Uiso 0.5 1 d . . P . .
Cl4 Cl 0.49654(10) 0.1104(5) -0.00052(15) 0.0626(10) Uiso 0.5 1 d . . P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C8 2.023(4) . ?
Pt1 C1 2.028(5) . ?
Pt1 N4 2.114(4) . ?
Pt1 P1 2.2835(12) . ?
Pt2 C44 2.006(5) . ?
Pt2 C49 2.014(5) . ?
Pt2 N8 2.127(4) . ?
Pt2 P2 2.2770(12) . ?
P1 C31 1.808(5) . ?
P1 C25 1.830(5) . ?
P1 C37 1.843(5) . ?
P2 C66 1.809(5) . ?
P2 C72 1.818(5) . ?
P2 C78 1.836(5) . ?
P3 F2 1.485(6) . ?
P3 F1 1.520(6) . ?
P3 F3 1.564(6) . ?
P3 F4 1.565(7) . ?
P3 F5 1.595(4) . ?
P3 F6 1.617(4) . ?
P4 F10 1.590(4) . ?
P4 F9 1.598(4) . ?
P4 F12 1.602(4) . ?
P4 F7 1.605(4) . ?
P4 F8 1.608(4) . ?
P4 F11 1.611(4) . ?
N1 C1 1.355(6) . ?
N1 C3 1.376(6) . ?
N1 C7 1.423(6) . ?
N2 C1 1.349(6) . ?
N2 C4 1.384(6) . ?
N2 C6 1.456(6) . ?
N3 C24 1.391(6) . ?
N3 C13 1.398(6) . ?
N3 C10 1.423(6) . ?
N4 C39 1.349(6) . ?
N4 C43 1.351(6) . ?
N5 C45 1.376(6) . ?
N5 C44 1.382(7) . ?
N5 C48 1.419(6) . ?
N6 C44 1.354(6) . ?
N6 C46 1.387(7) . ?
N6 C47 1.459(7) . ?
N7 C54 1.387(6) . ?
N7 C65 1.398(6) . ?
N7 C51 1.435(6) . ?
N8 C84 1.349(6) . ?
N8 C80 1.350(6) . ?
C3 C4 1.363(7) . ?
C7 C12 1.373(7) . ?
C7 C8 1.414(6) . ?
C8 C9 1.392(6) . ?
C9 C10 1.401(6) . ?
C10 C11 1.385(7) . ?
C11 C12 1.387(7) . ?
C13 C14 1.396(7) . ?
C13 C18 1.401(7) . ?
C14 C15 1.389(7) . ?
C15 C16 1.403(8) . ?
C16 C17 1.386(7) . ?
C17 C18 1.401(7) . ?
C18 C19 1.451(7) . ?
C19 C20 1.395(7) . ?
C19 C24 1.411(7) . ?
C20 C21 1.378(8) . ?
C21 C22 1.397(8) . ?
C22 C23 1.384(7) . ?
C23 C24 1.391(7) . ?
C25 C30 1.380(7) . ?
C25 C26 1.398(7) . ?
C26 C27 1.389(7) . ?
C27 C28 1.388(8) . ?
C28 C29 1.373(8) . ?
C29 C30 1.395(7) . ?
C31 C32 1.393(7) . ?
C31 C36 1.409(7) . ?
C32 C33 1.382(8) . ?
C33 C34 1.383(8) . ?
C34 C35 1.395(8) . ?
C35 C36 1.388(7) . ?
C37 C38 1.542(7) . ?
C38 C39 1.499(7) . ?
C39 C40 1.391(7) . ?
C40 C41 1.384(8) . ?
C41 C42 1.386(8) . ?
C42 C43 1.373(7) . ?
C45 C46 1.344(8) . ?
C48 C53 1.396(7) . ?
C48 C49 1.402(7) . ?
C49 C50 1.403(7) . ?
C50 C51 1.395(7) . ?
C51 C52 1.387(7) . ?
C52 C53 1.391(7) . ?
C54 C55 1.405(7) . ?
C54 C59 1.406(7) . ?
C55 C56 1.385(7) . ?
C56 C57 1.396(8) . ?
C57 C58 1.386(7) . ?
C58 C59 1.399(7) . ?
C59 C60 1.452(7) . ?
C60 C61 1.395(7) . ?
C60 C65 1.414(7) . ?
C61 C62 1.375(7) . ?
C62 C63 1.399(8) . ?
C63 C64 1.392(7) . ?
C64 C65 1.393(7) . ?
C66 C71 1.396(7) . ?
C66 C67 1.400(7) . ?
C67 C68 1.386(7) . ?
C68 C69 1.387(8) . ?
C69 C70 1.383(8) . ?
C70 C71 1.386(7) . ?
C72 C73 1.385(7) . ?
C72 C77 1.401(7) . ?
C73 C74 1.388(8) . ?
C74 C75 1.371(9) . ?
C75 C76 1.373(9) . ?
C76 C77 1.398(8) . ?
C78 C79 1.540(7) . ?
C79 C80 1.498(7) . ?
C80 C81 1.383(7) . ?
C81 C82 1.386(8) . ?
C82 C83 1.376(9) . ?
C83 C84 1.382(8) . ?
C85 Cl2 1.753(7) . ?
C85 Cl1 1.760(7) . ?
C86 Cl3 1.750(15) . ?
C86 Cl4 1.789(16) . ?
Cl4 Cl4 2.250(9) 5_655 ?

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
C8 Pt1 C1 79.78(19) . . ?
C8 Pt1 N4 168.53(18) . . ?
C1 Pt1 N4 95.32(17) . . ?
C8 Pt1 P1 97.77(13) . . ?
C1 Pt1 P1 170.23(14) . . ?
N4 Pt1 P1 88.73(11) . . ?
C44 Pt2 C49 80.25(19) . . ?
C44 Pt2 N8 94.89(18) . . ?
C49 Pt2 N8 170.08(18) . . ?
C44 Pt2 P2 168.63(14) . . ?
C49 Pt2 P2 96.69(13) . . ?
N8 Pt2 P2 89.70(11) . . ?
C31 P1 C25 106.7(2) . . ?
C31 P1 C37 105.9(2) . . ?
C25 P1 C37 102.5(2) . . ?
C31 P1 Pt1 118.52(16) . . ?
C25 P1 Pt1 113.44(15) . . ?
C37 P1 Pt1 108.38(16) . . ?
C66 P2 C72 107.5(2) . . ?
C66 P2 C78 103.8(2) . . ?
C72 P2 C78 102.4(2) . . ?
C66 P2 Pt2 120.45(17) . . ?
C72 P2 Pt2 112.50(17) . . ?
C78 P2 Pt2 108.40(16) . . ?
F2 P3 F1 98.1(7) . . ?
F2 P3 F3 90.3(7) . . ?
F1 P3 F3 171.5(6) . . ?
F2 P3 F4 174.4(7) . . ?
F1 P3 F4 86.7(6) . . ?
F3 P3 F4 84.8(6) . . ?
F2 P3 F5 91.2(3) . . ?
F1 P3 F5 91.1(3) . . ?
F3 P3 F5 90.0(3) . . ?
F4 P3 F5 91.4(3) . . ?
F2 P3 F6 89.7(3) . . ?
F1 P3 F6 90.0(3) . . ?
F3 P3 F6 88.9(3) . . ?
F4 P3 F6 87.6(3) . . ?
F5 P3 F6 178.5(3) . . ?
F10 P4 F9 91.0(2) . . ?
F10 P4 F12 89.8(3) . . ?
F9 P4 F12 179.1(3) . . ?
F10 P4 F7 179.0(2) . . ?
F9 P4 F7 90.0(2) . . ?
F12 P4 F7 89.1(2) . . ?
F10 P4 F8 90.0(2) . . ?
F9 P4 F8 90.1(2) . . ?
F12 P4 F8 89.9(2) . . ?
F7 P4 F8 89.9(2) . . ?
F10 P4 F11 90.4(2) . . ?
F9 P4 F11 90.02(19) . . ?
F12 P4 F11 89.9(2) . . ?
F7 P4 F11 89.7(2) . . ?
F8 P4 F11 179.6(2) . . ?
C1 N1 C3 111.9(4) . . ?
C1 N1 C7 116.8(4) . . ?
C3 N1 C7 131.1(4) . . ?
C1 N2 C4 110.8(4) . . ?
C1 N2 C6 126.4(4) . . ?
C4 N2 C6 122.7(4) . . ?
C24 N3 C13 108.0(4) . . ?
C24 N3 C10 123.5(4) . . ?
C13 N3 C10 125.7(4) . . ?
C39 N4 C43 119.7(4) . . ?
C39 N4 Pt1 124.7(3) . . ?
C43 N4 Pt1 115.6(3) . . ?
C45 N5 C44 111.6(4) . . ?
C45 N5 C48 132.6(5) . . ?
C44 N5 C48 115.7(4) . . ?
C44 N6 C46 111.2(5) . . ?
C44 N6 C47 125.9(5) . . ?
C46 N6 C47 122.9(5) . . ?
C54 N7 C65 108.0(4) . . ?
C54 N7 C51 125.9(4) . . ?
C65 N7 C51 125.6(4) . . ?
C84 N8 C80 118.3(4) . . ?
C84 N8 Pt2 117.0(3) . . ?
C80 N8 Pt2 124.7(3) . . ?
N2 C1 N1 104.6(4) . . ?
N2 C1 Pt1 140.5(4) . . ?
N1 C1 Pt1 114.9(3) . . ?
C4 C3 N1 105.6(4) . . ?
C3 C4 N2 107.0(4) . . ?
C12 C7 C8 124.3(4) . . ?
C12 C7 N1 122.3(4) . . ?
C8 C7 N1 113.4(4) . . ?
C9 C8 C7 115.1(4) . . ?
C9 C8 Pt1 129.8(3) . . ?
C7 C8 Pt1 114.6(3) . . ?
C8 C9 C10 121.4(4) . . ?
C11 C10 C9 121.1(4) . . ?
C11 C10 N3 119.6(4) . . ?
C9 C10 N3 119.2(4) . . ?
C10 C11 C12 119.0(5) . . ?
C7 C12 C11 119.0(5) . . ?
C14 C13 N3 128.4(4) . . ?
C14 C13 C18 122.0(4) . . ?
N3 C13 C18 109.3(4) . . ?
C15 C14 C13 117.1(5) . . ?
C14 C15 C16 121.5(5) . . ?
C17 C16 C15 121.2(5) . . ?
C16 C17 C18 118.1(5) . . ?
C13 C18 C17 120.1(5) . . ?
C13 C18 C19 106.9(4) . . ?
C17 C18 C19 132.9(5) . . ?
C20 C19 C24 119.4(5) . . ?
C20 C19 C18 134.2(5) . . ?
C24 C19 C18 106.4(4) . . ?
C21 C20 C19 118.6(5) . . ?
C20 C21 C22 121.5(5) . . ?
C23 C22 C21 121.0(5) . . ?
C22 C23 C24 117.5(5) . . ?
N3 C24 C23 128.8(4) . . ?
N3 C24 C19 109.3(4) . . ?
C23 C24 C19 121.9(5) . . ?
C30 C25 C26 119.7(5) . . ?
C30 C25 P1 123.1(4) . . ?
C26 C25 P1 117.1(4) . . ?
C27 C26 C25 119.6(5) . . ?
C28 C27 C26 120.3(5) . . ?
C29 C28 C27 120.1(5) . . ?
C28 C29 C30 120.1(5) . . ?
C25 C30 C29 120.3(5) . . ?
C32 C31 C36 119.3(4) . . ?
C32 C31 P1 119.1(4) . . ?
C36 C31 P1 121.6(4) . . ?
C33 C32 C31 120.1(5) . . ?
C32 C33 C34 120.7(5) . . ?
C33 C34 C35 119.9(5) . . ?
C36 C35 C34 119.9(5) . . ?
C35 C36 C31 120.0(5) . . ?
C38 C37 P1 112.5(3) . . ?
C39 C38 C37 110.5(4) . . ?
N4 C39 C40 120.2(5) . . ?
N4 C39 C38 117.2(4) . . ?
C40 C39 C38 122.5(5) . . ?
C41 C40 C39 120.0(5) . . ?
C40 C41 C42 119.0(5) . . ?
C43 C42 C41 118.7(5) . . ?
N4 C43 C42 122.3(5) . . ?
N6 C44 N5 103.4(4) . . ?
N6 C44 Pt2 141.4(4) . . ?
N5 C44 Pt2 115.0(3) . . ?
C46 C45 N5 106.3(5) . . ?
C45 C46 N6 107.5(5) . . ?
C53 C48 C49 124.7(5) . . ?
C53 C48 N5 121.1(4) . . ?
C49 C48 N5 114.1(4) . . ?
C48 C49 C50 114.9(4) . . ?
C48 C49 Pt2 114.7(3) . . ?
C50 C49 Pt2 130.2(3) . . ?
C51 C50 C49 121.4(4) . . ?
C52 C51 C50 121.8(5) . . ?
C52 C51 N7 119.5(4) . . ?
C50 C51 N7 118.7(4) . . ?
C51 C52 C53 118.7(5) . . ?
C52 C53 C48 118.4(5) . . ?
N7 C54 C55 129.2(5) . . ?
N7 C54 C59 110.0(4) . . ?
C55 C54 C59 120.8(5) . . ?
C56 C55 C54 117.9(5) . . ?
C55 C56 C57 121.6(5) . . ?
C58 C57 C56 120.7(5) . . ?
C57 C58 C59 118.8(5) . . ?
C58 C59 C54 120.2(5) . . ?
C58 C59 C60 133.5(5) . . ?
C54 C59 C60 106.3(4) . . ?
C61 C60 C65 119.4(5) . . ?
C61 C60 C59 133.9(5) . . ?
C65 C60 C59 106.7(4) . . ?
C62 C61 C60 119.4(5) . . ?
C61 C62 C63 120.6(5) . . ?
C64 C63 C62 121.7(5) . . ?
C63 C64 C65 117.2(5) . . ?
C64 C65 N7 129.3(5) . . ?
C64 C65 C60 121.7(4) . . ?
N7 C65 C60 109.0(4) . . ?
C71 C66 C67 119.2(5) . . ?
C71 C66 P2 121.6(4) . . ?
C67 C66 P2 119.1(4) . . ?
C68 C67 C66 119.9(5) . . ?
C67 C68 C69 120.5(5) . . ?
C70 C69 C68 119.8(5) . . ?
C69 C70 C71 120.4(5) . . ?
C70 C71 C66 120.2(5) . . ?
C73 C72 C77 119.2(5) . . ?
C73 C72 P2 123.4(4) . . ?
C77 C72 P2 117.4(4) . . ?
C72 C73 C74 120.2(5) . . ?
C75 C74 C73 120.5(5) . . ?
C74 C75 C76 120.3(5) . . ?
C75 C76 C77 120.1(5) . . ?
C76 C77 C72 119.7(5) . . ?
C79 C78 P2 111.2(3) . . ?
C80 C79 C78 109.1(4) . . ?
N8 C80 C81 121.4(5) . . ?
N8 C80 C79 117.0(4) . . ?
C81 C80 C79 121.5(5) . . ?
C80 C81 C82 119.8(5) . . ?
C83 C82 C81 118.9(5) . . ?
C82 C83 C84 118.8(5) . . ?
N8 C84 C83 122.8(5) . . ?
Cl2 C85 Cl1 111.0(4) . . ?
Cl3 C86 Cl4 111.4(8) . . ?
C86 Cl4 Cl4 165.5(6) . 5_655 ?

_refine_diff_density_max         3.249
_refine_diff_density_min         -2.270
_refine_diff_density_rms         0.152



####################################################################### 
# 
# 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_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2151293'
loop_
_audit_author_name
_audit_author_address
'Irene Ara'
;University of Zaragoza
Spain
;
_audit_update_record             
;
2022-02-10 deposited with the CCDC.	2022-09-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C57 H52 F6 N3 P3 Pt'
_chemical_formula_weight         1181.01

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   10.3398(5)
_cell_length_b                   15.0320(7)
_cell_length_c                   16.3589(8)
_cell_angle_alpha                100.9910(10)
_cell_angle_beta                 92.9220(10)
_cell_angle_gamma                98.2160(10)
_cell_volume                     2462.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9892
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      28.32

_exptl_crystal_description       block
_exptl_crystal_colour            very-pale-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_F_000             1184
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    3.012
_shelx_estimated_absorpt_T_min   0.613
_shelx_estimated_absorpt_T_max   0.714
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6018
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   
;
 SADABS: Area-Detector Absorption Correction. (1996) Bruker-AXS 
 within APEX package.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'narrow ω frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_reflns_number            30744
_diffrn_reflns_av_unetI/netI     0.0384
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.069
_diffrn_reflns_theta_max         28.834
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.906
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.906
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.906
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             11651
_reflns_number_gt                10618
_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       'SMART in APEX v. 2008.4 (Bruker AXS, 2008)'
_computing_cell_refinement       'SAINT+ in APEX v. 2008.4 (Bruker AXS, 2008)'
_computing_data_reduction        'SAINT+ in APEX v. 2008.4 (Bruker AXS, 2008)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'XP program, SHELXTL v6.12, Bruker2000'
_computing_publication_material  'XCIF program, PLATON(Spek, 1998)'
_refine_special_details          
;         
The hydrogen atoms bonded to C atoms have been included in the model in calculated positions and
refined with a riding model.Residual electron density was modelled as lattice solvent (pentane).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0475P)²+5.9344P] 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         11651
_refine_ls_number_parameters     632
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0353
_refine_ls_wR_factor_ref         0.0938
_refine_ls_wR_factor_gt          0.0901
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.038
_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
Pt Pt 0.91094(2) 0.20179(2) 0.75963(2) 0.01548(5) Uani 1 1 d . . . . .
P1 P 0.94007(9) 0.13224(6) 0.87014(6) 0.01550(18) Uani 1 1 d . . . . .
P2 P 0.74031(9) 0.08114(6) 0.72035(6) 0.01577(18) Uani 1 1 d . . . . .
P3 P 0.66293(19) 0.30836(10) 0.33453(9) 0.0492(4) Uani 1 1 d . . . . .
F1 F 0.7364(4) 0.3123(3) 0.2500(2) 0.0646(10) Uani 1 1 d . . . . .
F2 F 0.5669(4) 0.2225(2) 0.2852(2) 0.0597(9) Uani 1 1 d . . . . .
F3 F 0.6008(5) 0.3084(3) 0.4201(2) 0.0782(13) Uani 1 1 d . . . . .
F4 F 0.7671(5) 0.3973(3) 0.3817(3) 0.0895(16) Uani 1 1 d . . . . .
F5 F 0.7652(3) 0.2457(2) 0.35847(18) 0.0469(8) Uani 1 1 d . . . . .
F6 F 0.5726(5) 0.3764(3) 0.3099(2) 0.0736(13) Uani 1 1 d . . . . .
N1 N 0.9927(4) 0.3485(2) 0.6729(2) 0.0261(8) Uani 1 1 d . . . . .
N2 N 0.8463(4) 0.2609(2) 0.5848(2) 0.0243(7) Uani 1 1 d . . . . .
N3 N 1.3314(3) 0.4201(2) 0.9617(2) 0.0187(6) Uani 1 1 d . . . . .
C1 C 0.9062(4) 0.2695(3) 0.6619(2) 0.0189(7) Uani 1 1 d . . . . .
C3 C 0.9871(5) 0.3885(4) 0.6035(3) 0.0442(14) Uani 1 1 d . . . . .
H3 H 1.038314 0.443716 0.596091 0.053 Uiso 1 1 calc R U . . .
C4 C 0.8951(5) 0.3336(4) 0.5489(3) 0.0396(12) Uani 1 1 d . . . . .
H4 H 0.868206 0.342942 0.495211 0.047 Uiso 1 1 calc R U . . .
C6 C 0.7462(4) 0.1867(3) 0.5411(3) 0.0273(9) Uani 1 1 d . . . . .
H6A H 0.720755 0.198759 0.486189 0.044 Uiso 1 1 calc R U . . .
H6B H 0.780982 0.128676 0.533989 0.044 Uiso 1 1 calc R U . . .
H6C H 0.669345 0.182852 0.573702 0.044 Uiso 1 1 calc R U . . .
C7 C 1.0787(4) 0.3738(3) 0.7467(3) 0.0235(8) Uani 1 1 d . . . . .
C8 C 1.0633(4) 0.3099(3) 0.7984(2) 0.0168(7) Uani 1 1 d . . . . .
C9 C 1.1508(4) 0.3289(3) 0.8691(2) 0.0199(8) Uani 1 1 d . . . . .
H9 H 1.146374 0.286881 0.905912 0.024 Uiso 1 1 calc R U . . .
C10 C 1.2452(4) 0.4079(3) 0.8878(2) 0.0190(7) Uani 1 1 d . . . . .
C11 C 1.2535(4) 0.4713(3) 0.8361(3) 0.0279(9) Uani 1 1 d . . . . .
H11 H 1.316021 0.525802 0.849628 0.033 Uiso 1 1 calc R U . . .
C12 C 1.1689(5) 0.4539(3) 0.7643(3) 0.0332(11) Uani 1 1 d . . . . .
H12 H 1.172746 0.496140 0.727759 0.040 Uiso 1 1 calc R U . . .
C13 C 1.4129(4) 0.3574(3) 0.9747(3) 0.0191(7) Uani 1 1 d . . . . .
C14 C 1.4534(4) 0.2889(3) 0.9159(3) 0.0235(8) Uani 1 1 d . . . . .
H14 H 1.425005 0.279495 0.858294 0.028 Uiso 1 1 calc R U . . .
C15 C 1.5368(4) 0.2350(3) 0.9448(3) 0.0279(9) Uani 1 1 d . . . . .
H15 H 1.566203 0.187910 0.906196 0.034 Uiso 1 1 calc R U . . .
C16 C 1.5782(4) 0.2487(3) 1.0295(3) 0.0246(9) Uani 1 1 d . . . . .
H16 H 1.636298 0.211366 1.047399 0.030 Uiso 1 1 calc R U . . .
C17 C 1.5359(4) 0.3158(3) 1.0877(3) 0.0227(8) Uani 1 1 d . . . . .
H17 H 1.563164 0.323875 1.145373 0.027 Uiso 1 1 calc R U . . .
C18 C 1.4530(4) 0.3710(3) 1.0603(2) 0.0188(7) Uani 1 1 d . . . . .
C19 C 1.3892(4) 0.4458(3) 1.1016(2) 0.0207(8) Uani 1 1 d . . . . .
C20 C 1.3873(5) 0.4885(3) 1.1853(3) 0.0277(9) Uani 1 1 d . . . . .
H20 H 1.438861 0.472096 1.228138 0.033 Uiso 1 1 calc R U . . .
C21 C 1.3077(5) 0.5556(3) 1.2040(3) 0.0334(10) Uani 1 1 d . . . . .
H21 H 1.305536 0.585738 1.260360 0.040 Uiso 1 1 calc R U . . .
C22 C 1.2309(5) 0.5794(3) 1.1411(3) 0.0316(10) Uani 1 1 d . . . . .
H22 H 1.176194 0.624638 1.155897 0.038 Uiso 1 1 calc R U . . .
C23 C 1.2325(4) 0.5385(3) 1.0579(3) 0.0251(9) Uani 1 1 d . . . . .
H23 H 1.180819 0.555293 1.015304 0.030 Uiso 1 1 calc R U . . .
C24 C 1.3131(4) 0.4719(3) 1.0393(3) 0.0200(8) Uani 1 1 d . . . . .
C25 C 0.5839(4) 0.1047(3) 0.6799(2) 0.0187(7) Uani 1 1 d . . . . .
C26 C 0.5502(4) 0.1901(3) 0.7127(3) 0.0243(8) Uani 1 1 d . . . . .
H26 H 0.607455 0.232019 0.754563 0.029 Uiso 1 1 calc R U . . .
C27 C 0.4342(5) 0.2144(3) 0.6849(3) 0.0327(10) Uani 1 1 d . . . . .
H27 H 0.412121 0.272926 0.707321 0.039 Uiso 1 1 calc R U . . .
C28 C 0.3500(5) 0.1532(4) 0.6243(3) 0.0356(11) Uani 1 1 d . . . . .
H28 H 0.269529 0.169171 0.605703 0.043 Uiso 1 1 calc R U . . .
C29 C 0.3836(4) 0.0690(4) 0.5911(3) 0.0338(10) Uani 1 1 d . . . . .
H29 H 0.326470 0.027698 0.548832 0.041 Uiso 1 1 calc R U . . .
C30 C 0.4996(4) 0.0436(3) 0.6184(3) 0.0246(8) Uani 1 1 d . . . . .
H30 H 0.521370 -0.014852 0.595482 0.030 Uiso 1 1 calc R U . . .
C31 C 0.7865(4) -0.0171(3) 0.6517(2) 0.0216(8) Uani 1 1 d . . . . .
C32 C 0.7149(5) -0.1054(3) 0.6398(3) 0.0295(9) Uani 1 1 d . . . . .
H32 H 0.634047 -0.114425 0.664496 0.035 Uiso 1 1 calc R U . . .
C33 C 0.7594(6) -0.1798(3) 0.5929(3) 0.0393(12) Uani 1 1 d . . . . .
H33 H 0.708830 -0.239172 0.584563 0.047 Uiso 1 1 calc R U . . .
C34 C 0.8785(6) -0.1672(4) 0.5578(3) 0.0429(13) Uani 1 1 d . . . . .
H34 H 0.910192 -0.218255 0.526189 0.052 Uiso 1 1 calc R U . . .
C35 C 0.9512(5) -0.0803(4) 0.5689(3) 0.0402(12) Uani 1 1 d . . . . .
H35 H 1.032120 -0.071747 0.544224 0.048 Uiso 1 1 calc R U . . .
C36 C 0.9058(4) -0.0057(3) 0.6162(3) 0.0288(9) Uani 1 1 d . . . . .
H36 H 0.956639 0.053615 0.624399 0.035 Uiso 1 1 calc R U . . .
C37 C 0.6976(4) 0.0364(3) 0.8133(2) 0.0163(7) Uani 1 1 d . . . . .
C38 C 0.5824(4) -0.0235(3) 0.8163(3) 0.0193(7) Uani 1 1 d . . . . .
H38 H 0.520510 -0.041446 0.768908 0.023 Uiso 1 1 calc R U . . .
C39 C 0.5582(4) -0.0569(3) 0.8884(3) 0.0236(8) Uani 1 1 d . . . . .
H39 H 0.480028 -0.098134 0.889997 0.028 Uiso 1 1 calc R U . . .
C40 C 0.6475(4) -0.0305(3) 0.9585(3) 0.0235(8) Uani 1 1 d . . . . .
H40 H 0.629900 -0.053121 1.007819 0.028 Uiso 1 1 calc R U . . .
C41 C 0.7630(4) 0.0294(3) 0.9560(3) 0.0198(8) Uani 1 1 d . . . . .
H41 H 0.824329 0.047870 1.003582 0.024 Uiso 1 1 calc R U . . .
C42 C 0.7876(3) 0.0620(2) 0.8828(2) 0.0160(7) Uani 1 1 d . . . . .
C43 C 1.0530(4) 0.0514(3) 0.8428(2) 0.0185(7) Uani 1 1 d . . . . .
C44 C 1.0188(4) -0.0421(3) 0.8378(3) 0.0225(8) Uani 1 1 d . . . . .
H44 H 0.935387 -0.065661 0.853248 0.027 Uiso 1 1 calc R U . . .
C45 C 1.1058(4) -0.1013(3) 0.8105(3) 0.0277(9) Uani 1 1 d . . . . .
H45 H 1.081561 -0.165397 0.807021 0.033 Uiso 1 1 calc R U . . .
C46 C 1.2275(4) -0.0676(3) 0.7883(3) 0.0285(9) Uani 1 1 d . . . . .
H46 H 1.286673 -0.108419 0.769152 0.034 Uiso 1 1 calc R U . . .
C47 C 1.2629(4) 0.0262(3) 0.7940(3) 0.0325(10) Uani 1 1 d . . . . .
H47 H 1.347474 0.049738 0.780226 0.039 Uiso 1 1 calc R U . . .
C48 C 1.1759(4) 0.0851(3) 0.8196(3) 0.0284(9) Uani 1 1 d . . . . .
H48 H 1.199529 0.148974 0.821625 0.034 Uiso 1 1 calc R U . . .
C49 C 0.9943(4) 0.1981(3) 0.9742(2) 0.0182(7) Uani 1 1 d . . . . .
C50 C 1.1073(4) 0.1851(3) 1.0179(3) 0.0226(8) Uani 1 1 d . . . . .
H50 H 1.153325 0.136623 0.996145 0.027 Uiso 1 1 calc R U . . .
C51 C 1.1518(4) 0.2442(3) 1.0937(3) 0.0300(10) Uani 1 1 d . . . . .
H51 H 1.229219 0.236209 1.123508 0.036 Uiso 1 1 calc R U . . .
C52 C 1.0844(5) 0.3140(3) 1.1257(3) 0.0353(11) Uani 1 1 d . . . . .
H52 H 1.116400 0.354570 1.176895 0.042 Uiso 1 1 calc R U . . .
C53 C 0.9704(5) 0.3252(3) 1.0836(3) 0.0327(10) Uani 1 1 d . . . . .
H53 H 0.922643 0.372172 1.106682 0.039 Uiso 1 1 calc R U . . .
C54 C 0.9259(4) 0.2677(3) 1.0076(3) 0.0240(8) Uani 1 1 d . . . . .
H54 H 0.848142 0.275915 0.978348 0.029 Uiso 1 1 calc R U . . .
C55 C 0.6481(8) -0.3936(3) 0.4298(3) 0.061(2) Uani 1 1 d D . . . .
H55A H 0.561910 -0.409923 0.398441 0.092 Uiso 1 1 calc R U . . .
H55B H 0.669327 -0.326761 0.446949 0.092 Uiso 1 1 calc R U . . .
H55C H 0.714620 -0.416611 0.394426 0.092 Uiso 1 1 calc R U . . .
C56 C 0.6455(7) -0.4371(4) 0.5081(4) 0.099(4) Uani 1 1 d D . . . .
H56A H 0.581792 -0.414000 0.546813 0.119 Uiso 1 1 calc R U . . .
H56B H 0.627653 -0.504979 0.493630 0.119 Uiso 1 1 calc R U . . .
C57 C 0.7851(6) -0.4016(4) 0.5420(3) 0.081(3) Uani 1 1 d D . . . .
H57A H 0.846643 -0.430666 0.505084 0.097 Uiso 1 1 calc R U . . .
H57B H 0.804550 -0.334247 0.546943 0.097 Uiso 1 1 calc R U . . .
C58 C 0.7963(8) -0.4260(5) 0.6253(5) 0.172(8) Uani 1 1 d D . . . .
H58A H 0.784365 -0.493183 0.622035 0.207 Uiso 1 1 calc R U . . .
H58B H 0.735519 -0.398079 0.663646 0.207 Uiso 1 1 calc R U . . .
C59 C 0.9404(8) -0.3802(8) 0.6483(6) 0.135(5) Uani 1 1 d D . . . .
H59A H 0.968818 -0.388750 0.703966 0.202 Uiso 1 1 calc R U . . .
H59B H 0.996010 -0.408266 0.607235 0.202 Uiso 1 1 calc R U . . .
H59C H 0.947832 -0.314462 0.648276 0.202 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt C1 2.054(4) . ?
Pt C8 2.073(4) . ?
Pt P1 2.2820(9) . ?
Pt P2 2.3110(10) . ?
P1 C42 1.812(4) . ?
P1 C43 1.815(4) . ?
P1 C49 1.815(4) . ?
P2 C31 1.815(4) . ?
P2 C25 1.823(4) . ?
P2 C37 1.826(4) . ?
P3 F2 1.567(4) . ?
P3 F3 1.569(4) . ?
P3 F6 1.572(4) . ?
P3 F5 1.594(4) . ?
P3 F1 1.618(4) . ?
P3 F4 1.629(4) . ?
N1 C1 1.358(5) . ?
N1 C3 1.385(6) . ?
N1 C7 1.418(5) . ?
N2 C1 1.351(5) . ?
N2 C4 1.383(5) . ?
N2 C6 1.455(5) . ?
N3 C13 1.389(5) . ?
N3 C24 1.394(5) . ?
N3 C10 1.431(5) . ?
C3 C4 1.338(7) . ?
C3 H3 0.9500 . ?
C4 H4 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C12 1.386(6) . ?
C7 C8 1.395(5) . ?
C8 C9 1.389(5) . ?
C9 C10 1.399(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(6) . ?
C11 C12 1.388(6) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.396(6) . ?
C13 C18 1.408(5) . ?
C14 C15 1.388(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.397(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.391(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.456(5) . ?
C19 C20 1.400(6) . ?
C19 C24 1.404(6) . ?
C20 C21 1.390(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.398(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.385(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.392(6) . ?
C23 H23 0.9500 . ?
C25 C30 1.394(5) . ?
C25 C26 1.394(6) . ?
C26 C27 1.383(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.387(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.378(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.387(6) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.392(6) . ?
C31 C32 1.397(6) . ?
C32 C33 1.381(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.388(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.385(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.391(6) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.389(5) . ?
C37 C38 1.396(5) . ?
C38 C39 1.389(6) . ?
C38 H38 0.9500 . ?
C39 C40 1.392(6) . ?
C39 H39 0.9500 . ?
C40 C41 1.397(6) . ?
C40 H40 0.9500 . ?
C41 C42 1.398(5) . ?
C41 H41 0.9500 . ?
C43 C44 1.384(6) . ?
C43 C48 1.398(6) . ?
C44 C45 1.386(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.381(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.389(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.376(6) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C54 1.387(6) . ?
C49 C50 1.395(5) . ?
C50 C51 1.394(6) . ?
C50 H50 0.9500 . ?
C51 C52 1.378(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.382(7) . ?
C52 H52 0.9500 . ?
C53 C54 1.386(6) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.544(4) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C57 1.504(5) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C58 1.480(5) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.545(5) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt C8 78.56(15) . . ?
C1 Pt P1 173.79(11) . . ?
C8 Pt P1 96.06(11) . . ?
C1 Pt P2 102.91(11) . . ?
C8 Pt P2 178.34(11) . . ?
P1 Pt P2 82.51(3) . . ?
C42 P1 C43 104.78(17) . . ?
C42 P1 C49 104.67(17) . . ?
C43 P1 C49 107.50(18) . . ?
C42 P1 Pt 109.21(13) . . ?
C43 P1 Pt 107.84(13) . . ?
C49 P1 Pt 121.63(13) . . ?
C31 P2 C25 109.48(19) . . ?
C31 P2 C37 103.09(18) . . ?
C25 P2 C37 102.86(17) . . ?
C31 P2 Pt 113.24(14) . . ?
C25 P2 Pt 118.48(13) . . ?
C37 P2 Pt 108.00(13) . . ?
F2 P3 F3 95.2(3) . . ?
F2 P3 F6 92.2(2) . . ?
F3 P3 F6 92.1(2) . . ?
F2 P3 F5 91.73(19) . . ?
F3 P3 F5 90.7(2) . . ?
F6 P3 F5 175.0(3) . . ?
F2 P3 F1 88.6(2) . . ?
F3 P3 F1 175.9(3) . . ?
F6 P3 F1 89.4(2) . . ?
F5 P3 F1 87.6(2) . . ?
F2 P3 F4 177.1(3) . . ?
F3 P3 F4 87.7(3) . . ?
F6 P3 F4 88.1(2) . . ?
F5 P3 F4 87.8(2) . . ?
F1 P3 F4 88.5(3) . . ?
C1 N1 C3 111.2(4) . . ?
C1 N1 C7 118.4(3) . . ?
C3 N1 C7 130.2(4) . . ?
C1 N2 C4 110.5(4) . . ?
C1 N2 C6 127.4(3) . . ?
C4 N2 C6 122.0(4) . . ?
C13 N3 C24 108.0(3) . . ?
C13 N3 C10 123.0(3) . . ?
C24 N3 C10 125.0(3) . . ?
N2 C1 N1 104.5(3) . . ?
N2 C1 Pt 141.0(3) . . ?
N1 C1 Pt 114.5(3) . . ?
C4 C3 N1 106.1(4) . . ?
C4 C3 H3 127.0 . . ?
N1 C3 H3 127.0 . . ?
C3 C4 N2 107.7(4) . . ?
C3 C4 H4 126.2 . . ?
N2 C4 H4 126.2 . . ?
N2 C6 H6A 109.5 . . ?
N2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C12 C7 C8 124.2(4) . . ?
C12 C7 N1 122.7(4) . . ?
C8 C7 N1 113.1(3) . . ?
C9 C8 C7 115.2(3) . . ?
C9 C8 Pt 129.6(3) . . ?
C7 C8 Pt 115.2(3) . . ?
C8 C9 C10 122.1(4) . . ?
C8 C9 H9 119.0 . . ?
C10 C9 H9 119.0 . . ?
C11 C10 C9 120.6(4) . . ?
C11 C10 N3 122.0(3) . . ?
C9 C10 N3 117.4(3) . . ?
C10 C11 C12 118.9(4) . . ?
C10 C11 H11 120.6 . . ?
C12 C11 H11 120.6 . . ?
C7 C12 C11 119.0(4) . . ?
C7 C12 H12 120.5 . . ?
C11 C12 H12 120.5 . . ?
N3 C13 C14 128.4(4) . . ?
N3 C13 C18 109.8(3) . . ?
C14 C13 C18 121.8(4) . . ?
C15 C14 C13 117.4(4) . . ?
C15 C14 H14 121.3 . . ?
C13 C14 H14 121.3 . . ?
C14 C15 C16 121.3(4) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C17 C16 C15 121.1(4) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C16 C17 C18 118.8(4) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
C17 C18 C13 119.7(4) . . ?
C17 C18 C19 134.4(4) . . ?
C13 C18 C19 105.9(3) . . ?
C20 C19 C24 119.8(4) . . ?
C20 C19 C18 133.1(4) . . ?
C24 C19 C18 107.0(3) . . ?
C21 C20 C19 118.2(4) . . ?
C21 C20 H20 120.9 . . ?
C19 C20 H20 120.9 . . ?
C20 C21 C22 121.1(4) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 H21 119.5 . . ?
C23 C22 C21 121.6(4) . . ?
C23 C22 H22 119.2 . . ?
C21 C22 H22 119.2 . . ?
C22 C23 C24 117.2(4) . . ?
C22 C23 H23 121.4 . . ?
C24 C23 H23 121.4 . . ?
C23 C24 N3 128.7(4) . . ?
C23 C24 C19 122.1(4) . . ?
N3 C24 C19 109.2(3) . . ?
C30 C25 C26 119.5(4) . . ?
C30 C25 P2 124.0(3) . . ?
C26 C25 P2 116.5(3) . . ?
C27 C26 C25 120.5(4) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C26 C27 C28 119.9(4) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C29 C28 C27 119.8(4) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C28 C29 C30 121.1(4) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C29 C30 C25 119.3(4) . . ?
C29 C30 H30 120.3 . . ?
C25 C30 H30 120.3 . . ?
C36 C31 C32 118.5(4) . . ?
C36 C31 P2 118.2(3) . . ?
C32 C31 P2 123.0(3) . . ?
C33 C32 C31 121.2(4) . . ?
C33 C32 H32 119.4 . . ?
C31 C32 H32 119.4 . . ?
C32 C33 C34 119.6(5) . . ?
C32 C33 H33 120.2 . . ?
C34 C33 H33 120.2 . . ?
C35 C34 C33 120.2(4) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C34 C35 C36 120.0(5) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 120.6(4) . . ?
C35 C36 H36 119.7 . . ?
C31 C36 H36 119.7 . . ?
C42 C37 C38 119.5(3) . . ?
C42 C37 P2 117.2(3) . . ?
C38 C37 P2 123.2(3) . . ?
C39 C38 C37 120.0(4) . . ?
C39 C38 H38 120.0 . . ?
C37 C38 H38 120.0 . . ?
C38 C39 C40 120.5(4) . . ?
C38 C39 H39 119.7 . . ?
C40 C39 H39 119.7 . . ?
C39 C40 C41 119.8(4) . . ?
C39 C40 H40 120.1 . . ?
C41 C40 H40 120.1 . . ?
C40 C41 C42 119.4(4) . . ?
C40 C41 H41 120.3 . . ?
C42 C41 H41 120.3 . . ?
C37 C42 C41 120.7(3) . . ?
C37 C42 P1 116.3(3) . . ?
C41 C42 P1 122.9(3) . . ?
C44 C43 C48 119.2(4) . . ?
C44 C43 P1 122.9(3) . . ?
C48 C43 P1 117.7(3) . . ?
C43 C44 C45 120.3(4) . . ?
C43 C44 H44 119.9 . . ?
C45 C44 H44 119.9 . . ?
C46 C45 C44 120.3(4) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C45 C46 C47 119.7(4) . . ?
C45 C46 H46 120.1 . . ?
C47 C46 H46 120.1 . . ?
C48 C47 C46 120.2(4) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C47 C48 C43 120.3(4) . . ?
C47 C48 H48 119.9 . . ?
C43 C48 H48 119.9 . . ?
C54 C49 C50 119.9(4) . . ?
C54 C49 P1 118.2(3) . . ?
C50 C49 P1 121.8(3) . . ?
C51 C50 C49 119.2(4) . . ?
C51 C50 H50 120.4 . . ?
C49 C50 H50 120.4 . . ?
C52 C51 C50 120.5(4) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C51 C52 C53 120.3(4) . . ?
C51 C52 H52 119.9 . . ?
C53 C52 H52 119.9 . . ?
C52 C53 C54 119.9(4) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C53 C54 C49 120.3(4) . . ?
C53 C54 H54 119.9 . . ?
C49 C54 H54 119.9 . . ?
C56 C55 H55A 109.5 . . ?
C56 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C56 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C57 C56 C55 97.6(5) . . ?
C57 C56 H56A 112.3 . . ?
C55 C56 H56A 112.3 . . ?
C57 C56 H56B 112.3 . . ?
C55 C56 H56B 112.3 . . ?
H56A C56 H56B 109.9 . . ?
C58 C57 C56 105.4(4) . . ?
C58 C57 H57A 110.7 . . ?
C56 C57 H57A 110.7 . . ?
C58 C57 H57B 110.7 . . ?
C56 C57 H57B 110.7 . . ?
H57A C57 H57B 108.8 . . ?
C57 C58 C59 96.0(5) . . ?
C57 C58 H58A 112.5 . . ?
C59 C58 H58A 112.5 . . ?
C57 C58 H58B 112.5 . . ?
C59 C58 H58B 112.5 . . ?
H58A C58 H58B 110.1 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 N2 C1 N1 0.0(5) . . . . ?
C6 N2 C1 N1 178.7(4) . . . . ?
C4 N2 C1 Pt -177.3(4) . . . . ?
C6 N2 C1 Pt 1.4(8) . . . . ?
C3 N1 C1 N2 -0.3(5) . . . . ?
C7 N1 C1 N2 -175.6(4) . . . . ?
C3 N1 C1 Pt 177.8(4) . . . . ?
C7 N1 C1 Pt 2.5(5) . . . . ?
C1 N1 C3 C4 0.4(7) . . . . ?
C7 N1 C3 C4 175.0(5) . . . . ?
N1 C3 C4 N2 -0.4(7) . . . . ?
C1 N2 C4 C3 0.3(6) . . . . ?
C6 N2 C4 C3 -178.5(5) . . . . ?
C1 N1 C7 C12 -178.9(4) . . . . ?
C3 N1 C7 C12 6.8(8) . . . . ?
C1 N1 C7 C8 1.5(6) . . . . ?
C3 N1 C7 C8 -172.8(5) . . . . ?
C12 C7 C8 C9 -3.3(7) . . . . ?
N1 C7 C8 C9 176.3(4) . . . . ?
C12 C7 C8 Pt 175.6(4) . . . . ?
N1 C7 C8 Pt -4.8(5) . . . . ?
C7 C8 C9 C10 1.6(6) . . . . ?
Pt C8 C9 C10 -177.1(3) . . . . ?
C8 C9 C10 C11 0.8(6) . . . . ?
C8 C9 C10 N3 -179.2(4) . . . . ?
C13 N3 C10 C11 -121.2(5) . . . . ?
C24 N3 C10 C11 84.1(5) . . . . ?
C13 N3 C10 C9 58.9(5) . . . . ?
C24 N3 C10 C9 -95.8(5) . . . . ?
C9 C10 C11 C12 -1.7(7) . . . . ?
N3 C10 C11 C12 178.3(4) . . . . ?
C8 C7 C12 C11 2.5(8) . . . . ?
N1 C7 C12 C11 -177.1(4) . . . . ?
C10 C11 C12 C7 0.2(7) . . . . ?
C24 N3 C13 C14 176.9(4) . . . . ?
C10 N3 C13 C14 18.5(6) . . . . ?
C24 N3 C13 C18 -2.8(4) . . . . ?
C10 N3 C13 C18 -161.2(3) . . . . ?
N3 C13 C14 C15 179.4(4) . . . . ?
C18 C13 C14 C15 -0.9(6) . . . . ?
C13 C14 C15 C16 0.2(6) . . . . ?
C14 C15 C16 C17 0.9(6) . . . . ?
C15 C16 C17 C18 -1.3(6) . . . . ?
C16 C17 C18 C13 0.6(6) . . . . ?
C16 C17 C18 C19 179.4(4) . . . . ?
N3 C13 C18 C17 -179.7(3) . . . . ?
C14 C13 C18 C17 0.5(6) . . . . ?
N3 C13 C18 C19 1.1(4) . . . . ?
C14 C13 C18 C19 -178.6(4) . . . . ?
C17 C18 C19 C20 -1.2(8) . . . . ?
C13 C18 C19 C20 177.8(4) . . . . ?
C17 C18 C19 C24 -178.0(4) . . . . ?
C13 C18 C19 C24 0.9(4) . . . . ?
C24 C19 C20 C21 0.6(6) . . . . ?
C18 C19 C20 C21 -175.9(4) . . . . ?
C19 C20 C21 C22 0.5(7) . . . . ?
C20 C21 C22 C23 -1.2(7) . . . . ?
C21 C22 C23 C24 0.6(7) . . . . ?
C22 C23 C24 N3 179.1(4) . . . . ?
C22 C23 C24 C19 0.6(6) . . . . ?
C13 N3 C24 C23 -175.3(4) . . . . ?
C10 N3 C24 C23 -17.4(6) . . . . ?
C13 N3 C24 C19 3.4(4) . . . . ?
C10 N3 C24 C19 161.3(3) . . . . ?
C20 C19 C24 C23 -1.2(6) . . . . ?
C18 C19 C24 C23 176.1(4) . . . . ?
C20 C19 C24 N3 180.0(4) . . . . ?
C18 C19 C24 N3 -2.7(4) . . . . ?
C31 P2 C25 C30 14.4(4) . . . . ?
C37 P2 C25 C30 -94.7(4) . . . . ?
Pt P2 C25 C30 146.3(3) . . . . ?
C31 P2 C25 C26 -164.6(3) . . . . ?
C37 P2 C25 C26 86.3(3) . . . . ?
Pt P2 C25 C26 -32.7(4) . . . . ?
C30 C25 C26 C27 0.1(6) . . . . ?
P2 C25 C26 C27 179.2(3) . . . . ?
C25 C26 C27 C28 0.4(7) . . . . ?
C26 C27 C28 C29 -1.1(8) . . . . ?
C27 C28 C29 C30 1.2(8) . . . . ?
C28 C29 C30 C25 -0.6(7) . . . . ?
C26 C25 C30 C29 0.0(6) . . . . ?
P2 C25 C30 C29 -179.0(3) . . . . ?
C25 P2 C31 C36 122.0(3) . . . . ?
C37 P2 C31 C36 -129.0(3) . . . . ?
Pt P2 C31 C36 -12.6(4) . . . . ?
C25 P2 C31 C32 -64.9(4) . . . . ?
C37 P2 C31 C32 44.1(4) . . . . ?
Pt P2 C31 C32 160.5(3) . . . . ?
C36 C31 C32 C33 -1.2(7) . . . . ?
P2 C31 C32 C33 -174.2(4) . . . . ?
C31 C32 C33 C34 1.1(8) . . . . ?
C32 C33 C34 C35 -1.0(8) . . . . ?
C33 C34 C35 C36 0.9(8) . . . . ?
C34 C35 C36 C31 -1.0(8) . . . . ?
C32 C31 C36 C35 1.1(7) . . . . ?
P2 C31 C36 C35 174.5(4) . . . . ?
C31 P2 C37 C42 104.4(3) . . . . ?
C25 P2 C37 C42 -141.7(3) . . . . ?
Pt P2 C37 C42 -15.7(3) . . . . ?
C31 P2 C37 C38 -73.6(4) . . . . ?
C25 P2 C37 C38 40.2(4) . . . . ?
Pt P2 C37 C38 166.3(3) . . . . ?
C42 C37 C38 C39 0.1(6) . . . . ?
P2 C37 C38 C39 178.1(3) . . . . ?
C37 C38 C39 C40 0.6(6) . . . . ?
C38 C39 C40 C41 -0.6(6) . . . . ?
C39 C40 C41 C42 -0.1(6) . . . . ?
C38 C37 C42 C41 -0.9(6) . . . . ?
P2 C37 C42 C41 -179.0(3) . . . . ?
C38 C37 C42 P1 175.0(3) . . . . ?
P2 C37 C42 P1 -3.1(4) . . . . ?
C40 C41 C42 C37 0.8(6) . . . . ?
C40 C41 C42 P1 -174.7(3) . . . . ?
C43 P1 C42 C37 -94.5(3) . . . . ?
C49 P1 C42 C37 152.6(3) . . . . ?
Pt P1 C42 C37 20.8(3) . . . . ?
C43 P1 C42 C41 81.3(3) . . . . ?
C49 P1 C42 C41 -31.7(4) . . . . ?
Pt P1 C42 C41 -163.4(3) . . . . ?
C42 P1 C43 C44 -2.1(4) . . . . ?
C49 P1 C43 C44 108.8(3) . . . . ?
Pt P1 C43 C44 -118.4(3) . . . . ?
C42 P1 C43 C48 172.9(3) . . . . ?
C49 P1 C43 C48 -76.2(4) . . . . ?
Pt P1 C43 C48 56.6(3) . . . . ?
C48 C43 C44 C45 0.2(6) . . . . ?
P1 C43 C44 C45 175.1(3) . . . . ?
C43 C44 C45 C46 0.3(7) . . . . ?
C44 C45 C46 C47 0.5(7) . . . . ?
C45 C46 C47 C48 -1.7(7) . . . . ?
C46 C47 C48 C43 2.2(7) . . . . ?
C44 C43 C48 C47 -1.4(7) . . . . ?
P1 C43 C48 C47 -176.6(4) . . . . ?
C42 P1 C49 C54 -71.6(3) . . . . ?
C43 P1 C49 C54 177.3(3) . . . . ?
Pt P1 C49 C54 52.5(3) . . . . ?
C42 P1 C49 C50 113.3(3) . . . . ?
C43 P1 C49 C50 2.2(4) . . . . ?
Pt P1 C49 C50 -122.6(3) . . . . ?
C54 C49 C50 C51 -1.8(6) . . . . ?
P1 C49 C50 C51 173.3(3) . . . . ?
C49 C50 C51 C52 0.7(6) . . . . ?
C50 C51 C52 C53 1.2(7) . . . . ?
C51 C52 C53 C54 -2.0(7) . . . . ?
C52 C53 C54 C49 0.9(7) . . . . ?
C50 C49 C54 C53 1.0(6) . . . . ?
P1 C49 C54 C53 -174.2(3) . . . . ?
C55 C56 C57 C58 172.2(5) . . . . ?
C56 C57 C58 C59 -177.6(6) . . . . ?

_refine_diff_density_max         2.555
_refine_diff_density_min         -2.273
_refine_diff_density_rms         0.132



####################################################################### 
# 
# 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_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2151294'
loop_
_audit_author_name
_audit_author_address
'Irene Ara'
;University of Zaragoza
Spain
;
_audit_update_record             
;
2022-02-10 deposited with the CCDC.	2022-09-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C92 H76 Cl4 F12 N8 P4 Pt2'
_chemical_formula_weight         2177.46

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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                   9.8402(7)
_cell_length_b                   19.8457(14)
_cell_length_c                   21.5454(15)
_cell_angle_alpha                90.4310(10)
_cell_angle_beta                 91.1710(10)
_cell_angle_gamma                98.1410(10)
_cell_volume                     4164.0(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6176
_cell_measurement_theta_min      2.198
_cell_measurement_theta_max      24.560

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_F_000             2152
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    3.642
_shelx_estimated_absorpt_T_min   0.593
_shelx_estimated_absorpt_T_max   0.839
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5903
_exptl_absorpt_correction_T_max  24.560
_exptl_absorpt_process_details   
;
 SADABS: Area-Detector Absorption Correction. (1996) Bruker-AXS 
 within APEX package.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'narrow ω frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_reflns_number            51070
_diffrn_reflns_av_unetI/netI     0.0988
_diffrn_reflns_av_R_equivalents  0.0706
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.037
_diffrn_reflns_theta_max         28.701
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.909
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.909
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.909
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             19538
_reflns_number_gt                13701
_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       'SMART in APEX v. 2008.4 (Bruker AXS, 2008)'
_computing_cell_refinement       'SAINT+ in APEX v. 2008.4 (Bruker AXS, 2008)'
_computing_data_reduction        'SAINT+ in APEX v. 2008.4 (Bruker AXS, 2008)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'XP program, SHELXTL v6.12, Bruker2000'
_computing_publication_material  'XCIF program, PLATON(Spek, 1998)'
_refine_special_details          
;         
The hydrogen atoms bonded to C atoms have been included in the model in calculated positions and
refined with a riding model.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0696P)²+32.7477P] 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         19538
_refine_ls_number_parameters     1099
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.1059
_refine_ls_R_factor_gt           0.0678
_refine_ls_wR_factor_ref         0.1729
_refine_ls_wR_factor_gt          0.1568
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.000
_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
Pt1 Pt 0.71503(4) 0.02805(2) 0.25434(2) 0.01644(10) Uani 1 1 d . . . . .
Pt2 Pt 0.19353(4) 0.53269(2) 0.24513(2) 0.01819(10) Uani 1 1 d . . . . .
P1 P 0.8538(2) 0.07819(11) 0.17760(11) 0.0175(5) Uani 1 1 d . . . . .
P2 P 0.3415(3) 0.58058(12) 0.32305(11) 0.0193(5) Uani 1 1 d . . . . .
P3 P 0.2356(3) 0.29015(14) 0.01312(12) 0.0278(6) Uani 1 1 d . . . . .
P4 P 0.2473(3) 0.21247(14) 0.50242(12) 0.0272(6) Uani 1 1 d . . . . .
F1 F 0.1964(9) 0.2558(5) 0.0779(4) 0.075(3) Uani 1 1 d . . . . .
F2 F 0.3615(8) 0.3346(4) 0.0470(4) 0.064(2) Uani 1 1 d . . . . .
F3 F 0.1388(10) 0.3452(5) 0.0263(4) 0.076(3) Uani 1 1 d . . . . .
F4 F 0.2727(8) 0.3266(6) -0.0500(4) 0.090(4) Uani 1 1 d . . . . .
F5 F 0.3276(11) 0.2344(6) 0.0017(5) 0.103(4) Uani 1 1 d . . . . .
F6 F 0.1107(8) 0.2451(3) -0.0211(4) 0.061(2) Uani 1 1 d . . . . .
F7 F 0.2307(9) 0.1448(4) 0.4606(4) 0.067(2) Uani 1 1 d . . . . .
F8 F 0.3705(8) 0.1858(5) 0.5369(4) 0.079(3) Uani 1 1 d . . . . .
F9 F 0.1211(9) 0.2368(5) 0.4662(5) 0.090(3) Uani 1 1 d . . . . .
F10 F 0.1427(7) 0.1753(4) 0.5509(3) 0.0484(18) Uani 1 1 d . . . . .
F11 F 0.3516(7) 0.2493(3) 0.4534(3) 0.0492(18) Uani 1 1 d . . . . .
F12 F 0.2625(11) 0.2797(4) 0.5423(5) 0.096(4) Uani 1 1 d . . . . .
N1 N 0.5527(8) 0.0384(4) 0.3624(4) 0.0219(17) Uani 1 1 d . . . . .
N2 N 0.5456(8) -0.0693(4) 0.3507(4) 0.0239(17) Uani 1 1 d . . . . .
N3 N 0.7470(8) 0.3078(4) 0.3020(3) 0.0203(16) Uani 1 1 d . . . . .
N4 N 0.7437(8) -0.0687(4) 0.2202(4) 0.0208(16) Uani 1 1 d . . . . .
N5 N 0.0262(8) 0.5465(4) 0.1363(3) 0.0217(17) Uani 1 1 d . . . . .
N6 N 0.0115(9) 0.4388(4) 0.1445(4) 0.0258(18) Uani 1 1 d . . . . .
N7 N 0.2535(8) 0.8117(4) 0.2005(4) 0.0218(17) Uani 1 1 d . . . . .
N8 N 0.2241(8) 0.4356(4) 0.2757(4) 0.0205(16) Uani 1 1 d . . . . .
C1 C 0.5940(9) -0.0092(4) 0.3251(4) 0.0185(18) Uani 1 1 d . . . . .
C3 C 0.4814(10) 0.0100(5) 0.4122(5) 0.027(2) Uani 1 1 d . . . . .
H3 H 0.443757 0.033133 0.445066 0.033 Uiso 1 1 calc R U . . .
C4 C 0.4765(10) -0.0581(5) 0.4042(5) 0.029(2) Uani 1 1 d . . . . .
H4 H 0.433063 -0.092212 0.430793 0.034 Uiso 1 1 calc R U . . .
C6 C 0.5557(11) -0.1366(4) 0.3278(5) 0.027(2) Uani 1 1 d . . . . .
H6A H 0.510591 -0.170402 0.356407 0.041 Uiso 1 1 calc R U . . .
H6B H 0.510656 -0.143069 0.286715 0.041 Uiso 1 1 calc R U . . .
H6C H 0.652602 -0.142273 0.324501 0.041 Uiso 1 1 calc R U . . .
C7 C 0.5959(9) 0.1084(5) 0.3473(4) 0.0207(19) Uani 1 1 d . . . . .
C8 C 0.6797(9) 0.1171(4) 0.2952(4) 0.0195(18) Uani 1 1 d . . . . .
C9 C 0.7301(9) 0.1843(4) 0.2818(4) 0.0194(19) Uani 1 1 d . . . . .
H9 H 0.789257 0.193570 0.247628 0.023 Uiso 1 1 calc R U . . .
C10 C 0.6962(9) 0.2387(4) 0.3172(4) 0.0192(18) Uani 1 1 d . . . . .
C11 C 0.6079(9) 0.2275(5) 0.3667(4) 0.0203(19) Uani 1 1 d . . . . .
H11 H 0.582226 0.264563 0.389706 0.024 Uiso 1 1 calc R U . . .
C12 C 0.5582(9) 0.1609(5) 0.3819(4) 0.0198(19) Uani 1 1 d . . . . .
H12 H 0.498615 0.151709 0.415862 0.024 Uiso 1 1 calc R U . . .
C13 C 0.8020(9) 0.3571(4) 0.3459(4) 0.0186(18) Uani 1 1 d . . . . .
C14 C 0.8516(9) 0.3491(5) 0.4052(4) 0.0211(19) Uani 1 1 d . . . . .
H14 H 0.850785 0.305201 0.422556 0.025 Uiso 1 1 calc R U . . .
C15 C 0.9032(10) 0.4080(5) 0.4390(5) 0.026(2) Uani 1 1 d . . . . .
H15 H 0.939109 0.403903 0.479824 0.031 Uiso 1 1 calc R U . . .
C16 C 0.9033(10) 0.4726(5) 0.4140(5) 0.026(2) Uani 1 1 d . . . . .
H16 H 0.937795 0.511731 0.438254 0.031 Uiso 1 1 calc R U . . .
C17 C 0.8535(10) 0.4805(5) 0.3543(5) 0.024(2) Uani 1 1 d . . . . .
H17 H 0.854157 0.524580 0.337438 0.029 Uiso 1 1 calc R U . . .
C18 C 0.8025(9) 0.4227(5) 0.3194(4) 0.022(2) Uani 1 1 d . . . . .
C19 C 0.7413(9) 0.4117(5) 0.2578(5) 0.022(2) Uani 1 1 d . . . . .
C20 C 0.7063(11) 0.4561(5) 0.2120(5) 0.031(2) Uani 1 1 d . . . . .
H20 H 0.726930 0.503964 0.217854 0.037 Uiso 1 1 calc R U . . .
C21 C 0.6419(11) 0.4295(5) 0.1586(5) 0.030(2) Uani 1 1 d . . . . .
H21 H 0.617533 0.459303 0.127338 0.036 Uiso 1 1 calc R U . . .
C22 C 0.6114(11) 0.3591(5) 0.1494(5) 0.031(2) Uani 1 1 d . . . . .
H22 H 0.566461 0.341874 0.111887 0.037 Uiso 1 1 calc R U . . .
C23 C 0.6456(10) 0.3142(5) 0.1940(4) 0.025(2) Uani 1 1 d . . . . .
H23 H 0.627111 0.266366 0.187148 0.030 Uiso 1 1 calc R U . . .
C24 C 0.7073(9) 0.3407(4) 0.2488(4) 0.0183(18) Uani 1 1 d . . . . .
C25 C 0.8382(9) -0.1046(4) 0.2466(4) 0.0165(17) Uani 1 1 d . U . . .
H25 H 0.888701 -0.086645 0.282526 0.020 Uiso 1 1 calc R U . . .
C26 C 0.8612(10) -0.1645(5) 0.2230(5) 0.028(2) Uani 1 1 d . . . . .
H26 H 0.925647 -0.189068 0.242899 0.034 Uiso 1 1 calc R U . . .
C27 C 0.7916(10) -0.1908(5) 0.1700(5) 0.026(2) Uani 1 1 d . . . . .
H27 H 0.810031 -0.232395 0.152082 0.031 Uiso 1 1 calc R U . . .
C28 C 0.6949(10) -0.1555(5) 0.1435(5) 0.025(2) Uani 1 1 d . . . . .
H28 H 0.643534 -0.172956 0.107619 0.030 Uiso 1 1 calc R U . . .
C29 C 0.6742(10) -0.0958(5) 0.1693(4) 0.0214(19) Uani 1 1 d . . . . .
H29 H 0.607338 -0.071706 0.150789 0.026 Uiso 1 1 calc R U . . .
C30 C 0.8901(9) 0.0191(4) 0.1168(4) 0.0165(17) Uani 1 1 d . . . . .
C31 C 0.9935(9) -0.0214(4) 0.1273(4) 0.0192(18) Uani 1 1 d . . . . .
H31 H 1.050328 -0.014560 0.163577 0.023 Uiso 1 1 calc R U . . .
C32 C 1.0127(10) -0.0715(5) 0.0847(4) 0.024(2) Uani 1 1 d . . . . .
H32 H 1.083348 -0.098862 0.091602 0.028 Uiso 1 1 calc R U . . .
C33 C 0.9277(9) -0.0822(5) 0.0309(4) 0.022(2) Uani 1 1 d . . . . .
H33 H 0.939430 -0.117143 0.001980 0.027 Uiso 1 1 calc R U . . .
C34 C 0.8286(10) -0.0416(4) 0.0210(4) 0.023(2) Uani 1 1 d . . . . .
H34 H 0.772074 -0.048785 -0.015424 0.027 Uiso 1 1 calc R U . . .
C35 C 0.8071(10) 0.0106(5) 0.0629(4) 0.023(2) Uani 1 1 d . . . . .
H35 H 0.738782 0.038914 0.054921 0.028 Uiso 1 1 calc R U . . .
C36 C 0.7795(10) 0.1423(4) 0.1329(4) 0.0199(19) Uani 1 1 d . . . . .
C37 C 0.6378(10) 0.1350(5) 0.1274(4) 0.024(2) Uani 1 1 d . . . . .
H37 H 0.583850 0.102102 0.151802 0.029 Uiso 1 1 calc R U . . .
C38 C 0.5733(10) 0.1750(5) 0.0871(4) 0.024(2) Uani 1 1 d . . . . .
H38 H 0.476004 0.168729 0.083147 0.029 Uiso 1 1 calc R U . . .
C39 C 0.6522(11) 0.2245(5) 0.0522(4) 0.028(2) Uani 1 1 d . . . . .
H39 H 0.608728 0.252395 0.024635 0.034 Uiso 1 1 calc R U . . .
C40 C 0.7945(11) 0.2327(5) 0.0579(5) 0.030(2) Uani 1 1 d . . . . .
H40 H 0.848512 0.266710 0.034715 0.036 Uiso 1 1 calc R U . . .
C41 C 0.8585(10) 0.1910(4) 0.0979(4) 0.0206(19) Uani 1 1 d . . . . .
H41 H 0.955849 0.196070 0.101124 0.025 Uiso 1 1 calc R U . . .
C42 C 1.0259(9) 0.1131(4) 0.2072(4) 0.0187(18) Uani 1 1 d . . . . .
C43 C 1.1346(10) 0.1330(4) 0.1686(4) 0.0210(19) Uani 1 1 d . . . . .
H43 H 1.119824 0.131221 0.124893 0.025 Uiso 1 1 calc R U . . .
C44 C 1.2639(10) 0.1552(5) 0.1927(5) 0.026(2) Uani 1 1 d . . . . .
H44 H 1.337670 0.168316 0.165590 0.031 Uiso 1 1 calc R U . . .
C45 C 1.2871(10) 0.1586(5) 0.2568(5) 0.024(2) Uani 1 1 d . . . . .
H45 H 1.376531 0.173239 0.273563 0.029 Uiso 1 1 calc R U . . .
C46 C 1.1776(10) 0.1402(5) 0.2958(4) 0.025(2) Uani 1 1 d . . . . .
H46 H 1.191724 0.143196 0.339524 0.030 Uiso 1 1 calc R U . . .
C47 C 1.0485(10) 0.1177(5) 0.2713(4) 0.023(2) Uani 1 1 d . . . . .
H47 H 0.974297 0.105143 0.298337 0.028 Uiso 1 1 calc R U . . .
C48 C 0.0671(10) 0.4971(5) 0.1729(4) 0.022(2) Uani 1 1 d . . . . .
C50 C -0.0501(11) 0.5188(5) 0.0844(5) 0.029(2) Uani 1 1 d . . . . .
H50 H -0.088532 0.542617 0.051827 0.034 Uiso 1 1 calc R U . . .
C51 C -0.0572(11) 0.4512(5) 0.0908(5) 0.031(2) Uani 1 1 d . . . . .
H51 H -0.102119 0.417666 0.062790 0.037 Uiso 1 1 calc R U . . .
C53 C 0.0235(12) 0.3694(5) 0.1658(5) 0.032(2) Uani 1 1 d . . . . .
H53A H -0.026525 0.336080 0.136662 0.048 Uiso 1 1 calc R U . . .
H53B H 0.120504 0.363126 0.167607 0.048 Uiso 1 1 calc R U . . .
H53C H -0.015557 0.362755 0.207115 0.048 Uiso 1 1 calc R U . . .
C54 C 0.0756(10) 0.6155(5) 0.1530(4) 0.0211(19) Uani 1 1 d . . . . .
C55 C 0.1618(10) 0.6226(5) 0.2061(4) 0.023(2) Uani 1 1 d . . . . .
C56 C 0.2204(10) 0.6895(4) 0.2212(4) 0.0199(19) Uani 1 1 d . . . . .
H56 H 0.281195 0.697879 0.256116 0.024 Uiso 1 1 calc R U . . .
C57 C 0.1900(9) 0.7438(4) 0.1852(4) 0.0199(19) Uani 1 1 d . . . . .
C58 C 0.0999(10) 0.7336(5) 0.1345(4) 0.025(2) Uani 1 1 d . . . . .
H58 H 0.077925 0.771385 0.111480 0.030 Uiso 1 1 calc R U . . .
C59 C 0.0424(10) 0.6688(4) 0.1177(4) 0.0213(19) Uani 1 1 d . . . . .
H59 H -0.018393 0.660837 0.082795 0.026 Uiso 1 1 calc R U . . .
C60 C 0.3074(9) 0.8601(4) 0.1567(4) 0.0193(19) Uani 1 1 d . . . . .
C61 C 0.3492(10) 0.8488(5) 0.0970(4) 0.022(2) Uani 1 1 d . . . . .
H61 H 0.343505 0.804302 0.079747 0.027 Uiso 1 1 calc R U . . .
C62 C 0.4006(10) 0.9069(5) 0.0634(4) 0.024(2) Uani 1 1 d . . . . .
H62 H 0.432195 0.901516 0.022556 0.028 Uiso 1 1 calc R U . . .
C63 C 0.4065(10) 0.9732(5) 0.0887(5) 0.024(2) Uani 1 1 d . . . . .
H63 H 0.439982 1.011703 0.064560 0.029 Uiso 1 1 calc R U . . .
C64 C 0.3635(9) 0.9820(5) 0.1484(5) 0.022(2) Uani 1 1 d . . . . .
H64 H 0.368148 1.026396 0.165846 0.027 Uiso 1 1 calc R U . . .
C65 C 0.3137(9) 0.9255(4) 0.1827(4) 0.0198(19) Uani 1 1 d . . . . .
C66 C 0.2579(10) 0.9182(5) 0.2443(4) 0.022(2) Uani 1 1 d . . . . .
C67 C 0.2297(10) 0.9650(5) 0.2895(5) 0.027(2) Uani 1 1 d . . . . .
H67 H 0.253358 1.012561 0.283461 0.032 Uiso 1 1 calc R U . . .
C68 C 0.1671(10) 0.9404(5) 0.3427(5) 0.027(2) Uani 1 1 d . . . . .
H68 H 0.148594 0.971545 0.374116 0.032 Uiso 1 1 calc R U . . .
C69 C 0.1297(10) 0.8702(5) 0.3517(4) 0.025(2) Uani 1 1 d . . . . .
H69 H 0.085265 0.854861 0.388788 0.030 Uiso 1 1 calc R U . . .
C70 C 0.1564(10) 0.8225(5) 0.3072(4) 0.026(2) Uani 1 1 d . . . . .
H70 H 0.131868 0.775075 0.313557 0.031 Uiso 1 1 calc R U . . .
C71 C 0.2205(9) 0.8472(5) 0.2533(4) 0.021(2) Uani 1 1 d . . . . .
C72 C 0.1631(10) 0.4089(5) 0.3263(4) 0.024(2) Uani 1 1 d . . . . .
H72 H 0.100588 0.433350 0.346896 0.029 Uiso 1 1 calc R U . . .
C73 C 0.1874(10) 0.3464(5) 0.3502(5) 0.027(2) Uani 1 1 d . . . . .
H73 H 0.140072 0.327625 0.385416 0.033 Uiso 1 1 calc R U . . .
C74 C 0.2824(11) 0.3128(5) 0.3211(5) 0.032(2) Uani 1 1 d . . . . .
H74 H 0.306165 0.271683 0.337637 0.038 Uiso 1 1 calc R U . . .
C75 C 0.3432(11) 0.3399(5) 0.2669(5) 0.031(2) Uani 1 1 d . . . . .
H75 H 0.402184 0.315450 0.244149 0.038 Uiso 1 1 calc R U . . .
C76 C 0.3164(9) 0.4029(5) 0.2470(4) 0.0202(19) Uani 1 1 d . U . . .
H76 H 0.363806 0.423358 0.212415 0.024 Uiso 1 1 calc R U . . .
C77 C 0.2763(10) 0.6453(4) 0.3695(4) 0.0190(19) Uani 1 1 d . . . . .
C78 C 0.3616(10) 0.6940(5) 0.4054(4) 0.023(2) Uani 1 1 d . . . . .
H78 H 0.458610 0.697959 0.402779 0.028 Uiso 1 1 calc R U . . .
C79 C 0.3006(11) 0.7369(5) 0.4454(4) 0.027(2) Uani 1 1 d . . . . .
H79 H 0.357167 0.770459 0.469558 0.033 Uiso 1 1 calc R U . . .
C80 C 0.1607(11) 0.7310(5) 0.4498(4) 0.027(2) Uani 1 1 d . . . . .
H80 H 0.121616 0.760205 0.477306 0.032 Uiso 1 1 calc R U . . .
C81 C 0.0755(11) 0.6829(5) 0.4148(5) 0.027(2) Uani 1 1 d . . . . .
H81 H -0.021340 0.678915 0.418360 0.033 Uiso 1 1 calc R U . . .
C82 C 0.1344(10) 0.6400(5) 0.3739(4) 0.023(2) Uani 1 1 d . . . . .
H82 H 0.076841 0.607240 0.349289 0.028 Uiso 1 1 calc R U . . .
C83 C 0.3809(9) 0.5196(4) 0.3823(4) 0.0194(19) Uani 1 1 d . . . . .
C84 C 0.3086(10) 0.5094(5) 0.4361(5) 0.025(2) Uani 1 1 d . . . . .
H84 H 0.243060 0.538688 0.445314 0.030 Uiso 1 1 calc R U . . .
C85 C 0.3269(10) 0.4592(5) 0.4769(4) 0.025(2) Uani 1 1 d . . . . .
H85 H 0.272953 0.452607 0.513015 0.030 Uiso 1 1 calc R U . . .
C86 C 0.4248(10) 0.4183(4) 0.4647(4) 0.023(2) Uani 1 1 d . . . . .
H86 H 0.438694 0.382944 0.492642 0.028 Uiso 1 1 calc R U . . .
C87 C 0.5035(10) 0.4281(5) 0.4122(5) 0.024(2) Uani 1 1 d . . . . .
H87 H 0.572664 0.400303 0.404628 0.029 Uiso 1 1 calc R U . . .
C88 C 0.4813(10) 0.4783(5) 0.3708(5) 0.026(2) Uani 1 1 d . . . . .
H88 H 0.534507 0.484814 0.334436 0.031 Uiso 1 1 calc R U . . .
C89 C 0.5107(9) 0.6149(4) 0.2941(4) 0.0205(19) Uani 1 1 d . . . . .
C90 C 0.6246(10) 0.6327(5) 0.3329(5) 0.027(2) Uani 1 1 d . . . . .
H90 H 0.615139 0.629738 0.376643 0.033 Uiso 1 1 calc R U . . .
C91 C 0.7523(10) 0.6549(5) 0.3083(5) 0.030(2) Uani 1 1 d . . . . .
H91 H 0.829251 0.668059 0.335266 0.036 Uiso 1 1 calc R U . . .
C92 C 0.7675(10) 0.6578(5) 0.2450(5) 0.029(2) Uani 1 1 d . . . . .
H92 H 0.855113 0.672090 0.228092 0.035 Uiso 1 1 calc R U . . .
C93 C 0.6550(12) 0.6397(5) 0.2065(5) 0.031(2) Uani 1 1 d . . . . .
H93 H 0.665721 0.641976 0.162781 0.038 Uiso 1 1 calc R U . . .
C94 C 0.5265(10) 0.6184(4) 0.2301(4) 0.0193(19) Uani 1 1 d . . . . .
H94 H 0.449655 0.606228 0.202831 0.023 Uiso 1 1 calc R U . . .
C95 C 0.8988(13) 0.0678(6) 0.4338(5) 0.042(3) Uani 1 1 d . . . . .
H95A H 0.996233 0.084146 0.444523 0.051 Uiso 1 1 calc R U . . .
H95B H 0.877228 0.086372 0.392802 0.051 Uiso 1 1 calc R U . . .
C96 C 0.4270(17) 0.5782(7) 0.0407(9) 0.078(5) Uani 1 1 d . . . . .
H96A H 0.517941 0.581068 0.061859 0.094 Uiso 1 1 calc R U . . .
H96B H 0.443272 0.583788 -0.004313 0.094 Uiso 1 1 calc R U . . .
Cl1 Cl 0.8706(3) -0.02295(17) 0.43067(17) 0.0542(9) Uani 1 1 d . . . . .
Cl2 Cl 0.7928(3) 0.09532(17) 0.49012(14) 0.0472(7) Uani 1 1 d . . . . .
Cl3 Cl 0.3509(6) 0.6436(2) 0.0654(3) 0.113(2) Uani 1 1 d . . . . .
Cl4 Cl 0.3387(4) 0.4975(2) 0.0522(2) 0.0744(12) 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
Pt1 C1 2.033(9) . ?
Pt1 C8 2.044(9) . ?
Pt1 N4 2.109(7) . ?
Pt1 P1 2.307(2) . ?
Pt2 C48 2.031(10) . ?
Pt2 C55 2.039(9) . ?
Pt2 N8 2.100(7) . ?
Pt2 P2 2.308(2) . ?
P1 C30 1.826(9) . ?
P1 C36 1.827(9) . ?
P1 C42 1.836(9) . ?
P2 C77 1.818(9) . ?
P2 C89 1.831(10) . ?
P2 C83 1.838(9) . ?
P3 F5 1.547(9) . ?
P3 F4 1.572(8) . ?
P3 F3 1.575(8) . ?
P3 F2 1.578(7) . ?
P3 F6 1.580(7) . ?
P3 F1 1.589(8) . ?
P4 F8 1.566(8) . ?
P4 F12 1.569(8) . ?
P4 F9 1.588(8) . ?
P4 F10 1.592(7) . ?
P4 F11 1.596(7) . ?
P4 F7 1.600(7) . ?
N1 C1 1.348(12) . ?
N1 C3 1.375(12) . ?
N1 C7 1.435(11) . ?
N2 C1 1.347(11) . ?
N2 C4 1.384(13) . ?
N2 C6 1.438(12) . ?
N3 C24 1.400(11) . ?
N3 C13 1.400(11) . ?
N3 C10 1.435(11) . ?
N4 C29 1.347(11) . ?
N4 C25 1.366(11) . ?
N5 C48 1.361(12) . ?
N5 C50 1.399(11) . ?
N5 C54 1.428(11) . ?
N6 C48 1.345(12) . ?
N6 C51 1.369(13) . ?
N6 C53 1.476(12) . ?
N7 C71 1.402(12) . ?
N7 C60 1.408(11) . ?
N7 C57 1.435(11) . ?
N8 C72 1.332(12) . ?
N8 C76 1.347(11) . ?
C3 C4 1.356(14) . ?
C7 C12 1.375(13) . ?
C7 C8 1.404(13) . ?
C8 C9 1.391(12) . ?
C9 C10 1.400(12) . ?
C10 C11 1.389(13) . ?
C11 C12 1.385(12) . ?
C13 C14 1.376(12) . ?
C13 C18 1.424(13) . ?
C14 C15 1.400(13) . ?
C15 C16 1.394(14) . ?
C16 C17 1.384(14) . ?
C17 C18 1.393(12) . ?
C18 C19 1.449(13) . ?
C19 C20 1.398(13) . ?
C19 C24 1.411(12) . ?
C20 C21 1.366(14) . ?
C21 C22 1.398(14) . ?
C22 C23 1.385(13) . ?
C23 C24 1.382(13) . ?
C25 C26 1.341(13) . ?
C26 C27 1.381(14) . ?
C27 C28 1.376(13) . ?
C28 C29 1.349(13) . ?
C30 C31 1.399(12) . ?
C30 C35 1.400(12) . ?
C31 C32 1.384(13) . ?
C32 C33 1.411(13) . ?
C33 C34 1.365(13) . ?
C34 C35 1.410(12) . ?
C36 C37 1.384(13) . ?
C36 C41 1.388(13) . ?
C37 C38 1.384(13) . ?
C38 C39 1.398(14) . ?
C39 C40 1.390(15) . ?
C40 C41 1.399(13) . ?
C42 C43 1.383(13) . ?
C42 C47 1.394(12) . ?
C43 C44 1.376(13) . ?
C44 C45 1.394(14) . ?
C45 C46 1.389(14) . ?
C46 C47 1.378(13) . ?
C50 C51 1.342(14) . ?
C54 C59 1.380(13) . ?
C54 C55 1.404(13) . ?
C55 C56 1.404(12) . ?
C56 C57 1.396(12) . ?
C57 C58 1.388(13) . ?
C58 C59 1.372(12) . ?
C60 C61 1.386(13) . ?
C60 C65 1.401(12) . ?
C61 C62 1.404(13) . ?
C62 C63 1.413(13) . ?
C63 C64 1.381(14) . ?
C64 C65 1.385(12) . ?
C65 C66 1.446(13) . ?
C66 C67 1.399(13) . ?
C66 C71 1.421(13) . ?
C67 C68 1.373(14) . ?
C68 C69 1.407(14) . ?
C69 C70 1.396(13) . ?
C70 C71 1.393(13) . ?
C72 C73 1.396(13) . ?
C73 C74 1.381(14) . ?
C74 C75 1.398(15) . ?
C75 C76 1.382(13) . ?
C77 C82 1.391(13) . ?
C77 C78 1.403(12) . ?
C78 C79 1.408(14) . ?
C79 C80 1.370(14) . ?
C80 C81 1.385(14) . ?
C81 C82 1.410(13) . ?
C83 C84 1.375(13) . ?
C83 C88 1.395(13) . ?
C84 C85 1.362(13) . ?
C85 C86 1.373(13) . ?
C86 C87 1.385(13) . ?
C87 C88 1.380(13) . ?
C89 C90 1.389(13) . ?
C89 C94 1.391(13) . ?
C90 C91 1.387(14) . ?
C91 C92 1.376(15) . ?
C92 C93 1.374(15) . ?
C93 C94 1.384(14) . ?
C95 Cl2 1.750(12) . ?
C95 Cl1 1.783(13) . ?
C96 Cl3 1.676(15) . ?
C96 Cl4 1.734(15) . ?

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 Pt1 C8 79.9(4) . . ?
C1 Pt1 N4 94.5(3) . . ?
C8 Pt1 N4 174.3(3) . . ?
C1 Pt1 P1 175.7(3) . . ?
C8 Pt1 P1 95.9(3) . . ?
N4 Pt1 P1 89.6(2) . . ?
C48 Pt2 C55 80.2(4) . . ?
C48 Pt2 N8 94.6(3) . . ?
C55 Pt2 N8 173.9(3) . . ?
C48 Pt2 P2 175.7(3) . . ?
C55 Pt2 P2 95.8(3) . . ?
N8 Pt2 P2 89.3(2) . . ?
C30 P1 C36 101.8(4) . . ?
C30 P1 C42 102.8(4) . . ?
C36 P1 C42 110.3(4) . . ?
C30 P1 Pt1 113.9(3) . . ?
C36 P1 Pt1 114.4(3) . . ?
C42 P1 Pt1 112.4(3) . . ?
C77 P2 C89 109.3(4) . . ?
C77 P2 C83 102.1(4) . . ?
C89 P2 C83 103.4(4) . . ?
C77 P2 Pt2 114.8(3) . . ?
C89 P2 Pt2 112.5(3) . . ?
C83 P2 Pt2 113.7(3) . . ?
F5 P3 F4 93.6(6) . . ?
F5 P3 F3 178.0(7) . . ?
F4 P3 F3 88.2(6) . . ?
F5 P3 F2 88.9(5) . . ?
F4 P3 F2 91.0(4) . . ?
F3 P3 F2 91.9(5) . . ?
F5 P3 F6 90.5(5) . . ?
F4 P3 F6 88.9(5) . . ?
F3 P3 F6 88.7(4) . . ?
F2 P3 F6 179.4(5) . . ?
F5 P3 F1 88.3(6) . . ?
F4 P3 F1 177.9(6) . . ?
F3 P3 F1 89.9(5) . . ?
F2 P3 F1 88.3(4) . . ?
F6 P3 F1 91.8(5) . . ?
F8 P4 F12 93.1(6) . . ?
F8 P4 F9 177.9(6) . . ?
F12 P4 F9 89.0(7) . . ?
F8 P4 F10 90.8(4) . . ?
F12 P4 F10 90.5(4) . . ?
F9 P4 F10 88.8(5) . . ?
F8 P4 F11 89.4(4) . . ?
F12 P4 F11 89.9(4) . . ?
F9 P4 F11 90.9(4) . . ?
F10 P4 F11 179.5(5) . . ?
F8 P4 F7 87.9(6) . . ?
F12 P4 F7 178.8(6) . . ?
F9 P4 F7 90.0(6) . . ?
F10 P4 F7 90.1(4) . . ?
F11 P4 F7 89.4(4) . . ?
C1 N1 C3 111.9(8) . . ?
C1 N1 C7 117.3(8) . . ?
C3 N1 C7 130.6(8) . . ?
C1 N2 C4 109.5(8) . . ?
C1 N2 C6 128.1(8) . . ?
C4 N2 C6 122.3(8) . . ?
C24 N3 C13 108.7(7) . . ?
C24 N3 C10 124.2(7) . . ?
C13 N3 C10 123.7(7) . . ?
C29 N4 C25 117.5(8) . . ?
C29 N4 Pt1 120.9(6) . . ?
C25 N4 Pt1 121.5(6) . . ?
C48 N5 C50 111.7(8) . . ?
C48 N5 C54 117.2(8) . . ?
C50 N5 C54 130.9(8) . . ?
C48 N6 C51 111.4(8) . . ?
C48 N6 C53 126.0(8) . . ?
C51 N6 C53 122.6(8) . . ?
C71 N7 C60 107.6(7) . . ?
C71 N7 C57 123.0(8) . . ?
C60 N7 C57 124.6(8) . . ?
C72 N8 C76 119.6(8) . . ?
C72 N8 Pt2 120.9(6) . . ?
C76 N8 Pt2 119.2(6) . . ?
N2 C1 N1 105.4(8) . . ?
N2 C1 Pt1 139.6(7) . . ?
N1 C1 Pt1 114.8(6) . . ?
C4 C3 N1 105.0(9) . . ?
C3 C4 N2 108.2(8) . . ?
C12 C7 C8 124.4(8) . . ?
C12 C7 N1 121.9(8) . . ?
C8 C7 N1 113.7(8) . . ?
C9 C8 C7 114.9(8) . . ?
C9 C8 Pt1 130.8(7) . . ?
C7 C8 Pt1 114.2(6) . . ?
C8 C9 C10 121.8(9) . . ?
C11 C10 C9 120.9(8) . . ?
C11 C10 N3 117.9(8) . . ?
C9 C10 N3 121.1(8) . . ?
C12 C11 C10 118.5(8) . . ?
C7 C12 C11 119.4(9) . . ?
C14 C13 N3 129.6(8) . . ?
C14 C13 C18 121.7(8) . . ?
N3 C13 C18 108.6(8) . . ?
C13 C14 C15 117.6(9) . . ?
C16 C15 C14 121.5(9) . . ?
C17 C16 C15 120.8(9) . . ?
C16 C17 C18 119.0(9) . . ?
C17 C18 C13 119.4(9) . . ?
C17 C18 C19 134.0(9) . . ?
C13 C18 C19 106.5(8) . . ?
C20 C19 C24 119.7(9) . . ?
C20 C19 C18 132.8(9) . . ?
C24 C19 C18 107.4(8) . . ?
C21 C20 C19 118.9(9) . . ?
C20 C21 C22 121.1(9) . . ?
C23 C22 C21 121.0(9) . . ?
C24 C23 C22 118.2(9) . . ?
C23 C24 N3 130.3(8) . . ?
C23 C24 C19 121.0(8) . . ?
N3 C24 C19 108.7(8) . . ?
C26 C25 N4 121.5(8) . . ?
C25 C26 C27 120.3(9) . . ?
C28 C27 C26 118.6(9) . . ?
C29 C28 C27 118.9(9) . . ?
N4 C29 C28 123.2(9) . . ?
C31 C30 C35 120.8(8) . . ?
C31 C30 P1 119.0(7) . . ?
C35 C30 P1 119.9(7) . . ?
C32 C31 C30 119.9(8) . . ?
C31 C32 C33 120.1(9) . . ?
C34 C33 C32 119.2(9) . . ?
C33 C34 C35 122.2(9) . . ?
C30 C35 C34 117.7(9) . . ?
C37 C36 C41 119.6(9) . . ?
C37 C36 P1 117.2(7) . . ?
C41 C36 P1 122.6(7) . . ?
C38 C37 C36 121.1(9) . . ?
C37 C38 C39 119.7(9) . . ?
C40 C39 C38 119.6(9) . . ?
C39 C40 C41 120.2(10) . . ?
C36 C41 C40 119.9(9) . . ?
C43 C42 C47 118.9(8) . . ?
C43 C42 P1 122.7(7) . . ?
C47 C42 P1 118.4(7) . . ?
C44 C43 C42 120.9(9) . . ?
C43 C44 C45 120.3(9) . . ?
C46 C45 C44 119.1(9) . . ?
C47 C46 C45 120.3(9) . . ?
C46 C47 C42 120.6(9) . . ?
N6 C48 N5 103.8(8) . . ?
N6 C48 Pt2 141.7(7) . . ?
N5 C48 Pt2 114.4(7) . . ?
C51 C50 N5 104.7(9) . . ?
C50 C51 N6 108.4(9) . . ?
C59 C54 C55 124.8(8) . . ?
C59 C54 N5 121.2(8) . . ?
C55 C54 N5 114.0(8) . . ?
C54 C55 C56 115.4(8) . . ?
C54 C55 Pt2 114.2(7) . . ?
C56 C55 Pt2 130.1(7) . . ?
C57 C56 C55 120.4(8) . . ?
C58 C57 C56 121.3(8) . . ?
C58 C57 N7 119.1(8) . . ?
C56 C57 N7 119.6(8) . . ?
C59 C58 C57 119.9(9) . . ?
C58 C59 C54 118.1(8) . . ?
C61 C60 C65 122.7(8) . . ?
C61 C60 N7 128.2(8) . . ?
C65 C60 N7 109.1(8) . . ?
C60 C61 C62 116.2(8) . . ?
C61 C62 C63 121.9(9) . . ?
C64 C63 C62 119.9(9) . . ?
C63 C64 C65 119.4(9) . . ?
C64 C65 C60 119.9(9) . . ?
C64 C65 C66 132.3(9) . . ?
C60 C65 C66 107.7(8) . . ?
C67 C66 C71 120.4(9) . . ?
C67 C66 C65 133.3(9) . . ?
C71 C66 C65 106.1(8) . . ?
C68 C67 C66 118.3(9) . . ?
C67 C68 C69 121.4(9) . . ?
C70 C69 C68 121.4(9) . . ?
C71 C70 C69 117.5(9) . . ?
C70 C71 N7 129.6(9) . . ?
C70 C71 C66 121.0(9) . . ?
N7 C71 C66 109.3(8) . . ?
N8 C72 C73 122.5(9) . . ?
C74 C73 C72 118.0(10) . . ?
C73 C74 C75 119.2(9) . . ?
C76 C75 C74 119.2(9) . . ?
N8 C76 C75 121.1(9) . . ?
C82 C77 C78 120.0(9) . . ?
C82 C77 P2 116.5(7) . . ?
C78 C77 P2 123.0(7) . . ?
C77 C78 C79 118.8(9) . . ?
C80 C79 C78 120.9(9) . . ?
C79 C80 C81 120.9(9) . . ?
C80 C81 C82 119.2(10) . . ?
C77 C82 C81 120.3(9) . . ?
C84 C83 C88 117.9(9) . . ?
C84 C83 P2 122.6(7) . . ?
C88 C83 P2 119.3(7) . . ?
C85 C84 C83 122.9(9) . . ?
C84 C85 C86 118.6(9) . . ?
C85 C86 C87 120.6(9) . . ?
C88 C87 C86 119.8(9) . . ?
C87 C88 C83 120.0(9) . . ?
C90 C89 C94 119.2(9) . . ?
C90 C89 P2 122.8(8) . . ?
C94 C89 P2 117.9(7) . . ?
C91 C90 C89 120.5(10) . . ?
C92 C91 C90 120.1(10) . . ?
C93 C92 C91 119.5(10) . . ?
C92 C93 C94 121.3(10) . . ?
C93 C94 C89 119.5(9) . . ?
Cl2 C95 Cl1 108.7(6) . . ?
Cl3 C96 Cl4 116.3(9) . . ?

_refine_diff_density_max         5.990
_refine_diff_density_min         -3.041
_refine_diff_density_rms         0.231



####################################################################### 
# 
# 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_shelx_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2151292'
loop_
_audit_author_name
_audit_author_address
'Irene Ara'
;University of Zaragoza
Spain
;
_audit_update_record             
;
2022-02-10 deposited with the CCDC.	2022-09-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H40 Cl2 F6 N3 P3 Pt'
_chemical_formula_weight         1131.73

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.8679(7)
_cell_length_b                   24.8302(16)
_cell_length_c                   20.0686(13)
_cell_angle_alpha                90
_cell_angle_beta                 101.7595(9)
_cell_angle_gamma                90
_cell_volume                     4814.0(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5578
_cell_measurement_theta_min      2.229
_cell_measurement_theta_max      21.566

_exptl_crystal_description       plate
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_F_000             2240
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    3.185
_shelx_estimated_absorpt_T_min   0.598
_shelx_estimated_absorpt_T_max   0.857
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5815
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   
;
 SADABS: Area-Detector Absorption Correction. (1996) Bruker-AXS 
 within APEX package.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'narrow ω frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_reflns_number            59106
_diffrn_reflns_av_unetI/netI     0.0824
_diffrn_reflns_av_R_equivalents  0.0900
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.073
_diffrn_reflns_theta_max         28.819
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.937
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.937
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             11781
_reflns_number_gt                7919
_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       'SMART in APEX v. 2008.4 (Bruker AXS, 2008)'
_computing_cell_refinement       'SAINT+ in APEX v. 2008.4 (Bruker AXS, 2008)'
_computing_data_reduction        'SAINT+ in APEX v. 2008.4 (Bruker AXS, 2008)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'XP program, SHELXTL v6.12, Bruker2000'
_computing_publication_material  'XCIF program, PLATON(Spek, 1998)'
_refine_special_details          
;         
The hydrogen atoms have been included in the model in calculated positions and
refined with a riding model.One of the phenyl rings bonded to P2 is disordered 
over two positions (aprox. 0.65-0.35 occupancy each) with the common Cipso atom (C38).
Residual electron density was modelled as disordered CH2Cl2 lattice solvent.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1185P)²+120.6634P] 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         11781
_refine_ls_number_parameters     623
_refine_ls_number_restraints     87
_refine_ls_R_factor_all          0.1458
_refine_ls_R_factor_gt           0.1013
_refine_ls_wR_factor_ref         0.2781
_refine_ls_wR_factor_gt          0.2478
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.004
_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
Pt1 Pt 0.01148(4) 0.40805(2) 0.77495(2) 0.03239(17) Uani 1 1 d . . . . .
P1 P 0.1937(3) 0.39815(11) 0.86427(16) 0.0251(6) Uani 1 1 d . . . . .
P2 P 0.0597(3) 0.31678(13) 0.79078(16) 0.0312(7) Uani 1 1 d . . . . .
P3 P 0.4255(5) 0.3195(3) 0.4503(2) 0.094(2) Uani 1 1 d . . . . .
F1 F 0.2676(12) 0.3025(9) 0.4407(11) 0.170(9) Uani 1 1 d . . . . .
F2 F 0.4552(11) 0.2620(6) 0.4198(6) 0.086(4) Uani 1 1 d . . . . .
F3 F 0.4568(16) 0.2955(10) 0.5248(7) 0.148(8) Uani 1 1 d . . . . .
F4 F 0.3995(13) 0.3758(10) 0.4815(10) 0.173(10) Uani 1 1 d . . . . .
F5 F 0.4039(18) 0.3442(7) 0.3762(6) 0.142(8) Uani 1 1 d . . . . .
F6 F 0.5867(10) 0.3359(6) 0.4612(5) 0.083(4) Uani 1 1 d . . . . .
N1 N -0.1967(12) 0.4685(5) 0.6828(6) 0.058(4) Uani 1 1 d D . . . .
N2 N -0.2318(11) 0.3887(6) 0.6462(6) 0.067(5) Uani 1 1 d D . . . .
N3 N 0.1197(15) 0.6201(5) 0.8533(10) 0.070(5) Uani 1 1 d . . . . .
C1 C -0.1494(12) 0.4177(5) 0.6949(6) 0.041(3) Uani 1 1 d D . . . .
C3 C -0.3032(17) 0.4727(11) 0.6286(7) 0.091(8) Uani 1 1 d D . . . .
H3 H -0.351854 0.504206 0.610538 0.109 Uiso 1 1 calc R U . . .
C4 C -0.3235(17) 0.4216(10) 0.6063(9) 0.091(9) Uani 1 1 d D U . . .
H4 H -0.391812 0.410390 0.568342 0.109 Uiso 1 1 calc R U . . .
C6 C -0.2208(18) 0.3296(10) 0.6367(9) 0.075(6) Uani 1 1 d . . . . .
H6A H -0.292157 0.317996 0.597914 0.113 Uiso 1 1 calc R U . . .
H6B H -0.129117 0.320978 0.627868 0.113 Uiso 1 1 calc R U . . .
H6C H -0.233857 0.310896 0.677879 0.113 Uiso 1 1 calc R U . . .
C7 C -0.1260(18) 0.5093(8) 0.7268(8) 0.062(5) Uani 1 1 d . . . . .
C8 C -0.0148(14) 0.4899(6) 0.7746(7) 0.044(3) Uani 1 1 d . . . . .
C9 C 0.0622(15) 0.5288(6) 0.8161(8) 0.044(3) Uani 1 1 d . . . . .
H9 H 0.139416 0.517469 0.849667 0.053 Uiso 1 1 calc R U . . .
C10 C 0.0311(19) 0.5824(6) 0.8106(10) 0.063(5) Uani 1 1 d . . . . .
C11 C -0.082(3) 0.6009(8) 0.7644(11) 0.078(7) Uani 1 1 d . . . . .
H11 H -0.106087 0.638043 0.762104 0.093 Uiso 1 1 calc R U . . .
C12 C -0.158(3) 0.5646(10) 0.7224(11) 0.091(9) Uani 1 1 d . . . . .
H12 H -0.235355 0.576687 0.689210 0.109 Uiso 1 1 calc R U . . .
C13 C 0.2629(17) 0.6185(5) 0.8670(10) 0.080(7) Uani 1 1 d D . . . .
C14 C 0.3473(15) 0.5876(6) 0.8342(11) 0.091(8) Uani 1 1 d D . . . .
H14 H 0.310232 0.563135 0.798836 0.109 Uiso 1 1 calc R U . . .
C15 C 0.4890(16) 0.5947(7) 0.8564(12) 0.095(9) Uani 1 1 d D . . . .
H15 H 0.550492 0.574301 0.835595 0.114 Uiso 1 1 calc R U . . .
C16 C 0.5441(19) 0.6307(7) 0.9082(10) 0.085(7) Uani 1 1 d D . . . .
H16 H 0.641414 0.632766 0.924341 0.102 Uiso 1 1 calc R U . . .
C17 C 0.4560(15) 0.6637(6) 0.9362(10) 0.072(5) Uani 1 1 d D U . . .
H17 H 0.493017 0.690358 0.968825 0.086 Uiso 1 1 calc R U . . .
C18 C 0.3132(14) 0.6574(6) 0.9160(9) 0.074(6) Uani 1 1 d D . . . .
C19 C 0.1997(17) 0.6823(6) 0.9369(9) 0.068(6) Uani 1 1 d D . . . .
C20 C 0.1850(18) 0.7212(7) 0.9848(10) 0.085(7) Uani 1 1 d D . . . .
H20 H 0.264269 0.737250 1.012469 0.103 Uiso 1 1 calc R U . . .
C21 C 0.0531(17) 0.7364(8) 0.9915(11) 0.087(7) Uani 1 1 d D . . . .
H21 H 0.042459 0.762669 1.024454 0.104 Uiso 1 1 calc R U . . .
C22 C -0.0633(19) 0.7136(5) 0.9509(8) 0.078(7) Uani 1 1 d D . . . .
H22 H -0.152210 0.724821 0.956749 0.094 Uiso 1 1 calc R U . . .
C23 C -0.0544(15) 0.6749(5) 0.9019(8) 0.061(5) Uani 1 1 d D . . . .
H23 H -0.133894 0.659521 0.873532 0.074 Uiso 1 1 calc R U . . .
C24 C 0.0799(14) 0.6602(5) 0.8977(9) 0.065(5) Uani 1 1 d D . . . .
C25 C 0.2016(9) 0.4328(4) 0.9429(5) 0.025(2) Uani 1 1 d D . . . .
C26 C 0.1013(11) 0.4233(4) 0.9812(5) 0.028(2) Uani 1 1 d D . . . .
H26 H 0.032379 0.396680 0.966514 0.034 Uiso 1 1 calc R U . . .
C27 C 0.1001(13) 0.4519(5) 1.0405(6) 0.040(3) Uani 1 1 d D . . . .
H27 H 0.030275 0.444898 1.065728 0.048 Uiso 1 1 calc R U . . .
C28 C 0.1999(12) 0.4907(5) 1.0632(7) 0.048(4) Uani 1 1 d D . . . .
H28 H 0.201778 0.509282 1.104721 0.057 Uiso 1 1 calc R U . . .
C29 C 0.2970(13) 0.5016(6) 1.0238(7) 0.055(4) Uani 1 1 d D . . . .
H29 H 0.362432 0.529639 1.037234 0.066 Uiso 1 1 calc R U . . .
C30 C 0.3004(12) 0.4724(5) 0.9649(7) 0.042(3) Uani 1 1 d D . . . .
H30 H 0.370270 0.479460 0.939782 0.050 Uiso 1 1 calc R U . . .
C31 C 0.3632(11) 0.4049(4) 0.8442(5) 0.032(3) Uani 1 1 d D . . . .
C32 C 0.3790(12) 0.4332(5) 0.7863(6) 0.044(3) Uani 1 1 d D . . . .
H32 H 0.301502 0.449523 0.757552 0.052 Uiso 1 1 calc R U . . .
C33 C 0.5103(12) 0.4371(7) 0.7712(8) 0.057(4) Uani 1 1 d D . . . .
H33 H 0.522693 0.456332 0.731985 0.068 Uiso 1 1 calc R U . . .
C34 C 0.6231(14) 0.4130(6) 0.8132(7) 0.054(4) Uani 1 1 d D . . . .
H34 H 0.711914 0.415665 0.802105 0.065 Uiso 1 1 calc R U . . .
C35 C 0.6083(11) 0.3850(5) 0.8712(7) 0.051(4) Uani 1 1 d D . . . .
H35 H 0.686329 0.369436 0.900436 0.061 Uiso 1 1 calc R U . . .
C36 C 0.4771(9) 0.3803(5) 0.8854(7) 0.040(3) Uani 1 1 d D . . . .
H36 H 0.464592 0.359922 0.923736 0.048 Uiso 1 1 calc R U . . .
C37 C 0.1661(12) 0.3269(4) 0.8765(6) 0.026(2) Uani 1 1 d . . . . .
H37A H 0.114643 0.319759 0.913123 0.031 Uiso 1 1 calc R U . . .
H37B H 0.253082 0.305778 0.884417 0.031 Uiso 1 1 calc R U . . .
C38 C -0.0709(11) 0.2677(5) 0.8008(6) 0.037(3) Uani 1 1 d D . . . .
C39 C -0.040(2) 0.2127(6) 0.8065(14) 0.054(7) Uani 0.61(2) 1 d D U P A 1
H39 H 0.047892 0.199941 0.801827 0.064 Uiso 0.61(2) 1 calc R U P A 1
C40 C -0.140(2) 0.1770(9) 0.819(2) 0.079(12) Uani 0.61(2) 1 d D . P A 1
H40 H -0.120878 0.139558 0.821869 0.095 Uiso 0.61(2) 1 calc R U P A 1
C41 C -0.268(2) 0.1953(8) 0.8275(13) 0.038(6) Uani 0.61(2) 1 d D . P A 1
H41 H -0.334690 0.171125 0.839035 0.046 Uiso 0.61(2) 1 calc R U P A 1
C42 C -0.297(2) 0.2497(8) 0.8186(15) 0.041(7) Uani 0.61(2) 1 d D . P A 1
H42 H -0.386692 0.262480 0.821792 0.050 Uiso 0.61(2) 1 calc R U P A 1
C43 C -0.2000(13) 0.2861(7) 0.8051(10) 0.029(4) Uani 0.61(2) 1 d D . P A 1
H43 H -0.222142 0.323215 0.799025 0.035 Uiso 0.61(2) 1 calc R U P A 1
C39' C -0.127(3) 0.2315(12) 0.7502(13) 0.041(9) Uani 0.39(2) 1 d D . P A 2
H39' H -0.084659 0.227860 0.712067 0.049 Uiso 0.39(2) 1 calc R U P A 2
C40' C -0.243(3) 0.2002(16) 0.7525(19) 0.059(12) Uani 0.39(2) 1 d D . P A 2
H40' H -0.275424 0.174473 0.717846 0.071 Uiso 0.39(2) 1 calc R U P A 2
C41' C -0.310(4) 0.2073(16) 0.8062(16) 0.037(10) Uani 0.39(2) 1 d D U P A 2
H41' H -0.382832 0.183556 0.811752 0.044 Uiso 0.39(2) 1 calc R U P A 2
C42' C -0.271(3) 0.2493(14) 0.852(2) 0.038(9) Uani 0.39(2) 1 d D . P A 2
H42' H -0.319930 0.256235 0.887108 0.045 Uiso 0.39(2) 1 calc R U P A 2
C43' C -0.159(3) 0.2809(12) 0.8447(17) 0.037(8) Uani 0.39(2) 1 d D U P A 2
H43' H -0.140565 0.312851 0.871002 0.044 Uiso 0.39(2) 1 calc R U P A 2
C44 C 0.1772(12) 0.2899(5) 0.7420(6) 0.037(3) Uani 1 1 d D . . . .
C45 C 0.2555(15) 0.2439(5) 0.7614(7) 0.052(4) Uani 1 1 d D . . . .
H45 H 0.240983 0.223918 0.799724 0.063 Uiso 1 1 calc R U . . .
C46 C 0.3550(17) 0.2264(7) 0.7258(7) 0.067(5) Uani 1 1 d D . . . .
H46 H 0.406989 0.194587 0.739070 0.081 Uiso 1 1 calc R U . . .
C47 C 0.3763(16) 0.2564(6) 0.6708(7) 0.062(5) Uani 1 1 d D . . . .
H47 H 0.444968 0.245430 0.646610 0.075 Uiso 1 1 calc R U . . .
C48 C 0.2986(14) 0.3022(6) 0.6504(7) 0.056(4) Uani 1 1 d D . . . .
H48 H 0.313928 0.322260 0.612341 0.067 Uiso 1 1 calc R U . . .
C49 C 0.1982(13) 0.3188(5) 0.6856(6) 0.043(3) Uani 1 1 d D . . . .
H49 H 0.143985 0.349857 0.671126 0.052 Uiso 1 1 calc R U . . .
Cl1 Cl -0.3346(7) -0.0190(3) 0.9499(3) 0.0451(15) Uiso 0.5 1 d D . P B 1
Cl2 Cl -0.1700(13) 0.0213(5) 0.8622(6) 0.042(3) Uiso 0.25 1 d D . P B 1
Cl2' Cl -0.3923(13) 0.0539(5) 0.8467(6) 0.039(3) Uiso 0.25 1 d D . P B 1
C50 C -0.2744(15) 0.0373(6) 0.9174(7) 0.13(2) Uiso 0.5 1 d D . P B 1
Cl3 Cl -0.0244(12) 0.1040(4) 1.0291(4) 0.082(3) Uiso 0.5 1 d D . P C 2
Cl4 Cl -0.0034(16) 0.0506(6) 0.9156(6) 0.051(3) Uiso 0.25 1 d D . P C 2
Cl4' Cl -0.0301(13) 0.1403(5) 0.8998(5) 0.039(3) Uiso 0.25 1 d D . P C 2
C51 C 0.0625(15) 0.1042(6) 0.9649(7) 0.051(7) Uiso 0.5 1 d D . P C 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
Pt1 C1 2.029(12) . ?
Pt1 C8 2.048(16) . ?
Pt1 P1 2.279(3) . ?
Pt1 P2 2.324(3) . ?
P1 C25 1.785(10) . ?
P1 C31 1.806(11) . ?
P1 C37 1.816(11) . ?
P1 P2 2.685(4) . ?
P2 C44 1.792(12) . ?
P2 C38 1.815(11) . ?
P2 C37 1.841(12) . ?
P3 F4 1.574(18) . ?
P3 F5 1.582(16) . ?
P3 F3 1.580(17) . ?
P3 F1 1.588(14) . ?
P3 F2 1.604(15) . ?
P3 F6 1.613(12) . ?
N1 C1 1.349(9) . ?
N1 C3 1.354(9) . ?
N1 C7 1.43(2) . ?
N2 C1 1.346(9) . ?
N2 C4 1.355(9) . ?
N2 C6 1.49(3) . ?
N3 C13 1.38(2) . ?
N3 C10 1.44(3) . ?
N3 C24 1.44(2) . ?
C3 C4 1.346(10) . ?
C3 H3 0.9500 . ?
C4 H4 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.39(2) . ?
C7 C12 1.41(3) . ?
C8 C9 1.40(2) . ?
C9 C10 1.367(19) . ?
C9 H9 0.9500 . ?
C10 C11 1.38(3) . ?
C11 C12 1.35(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.393(9) . ?
C13 C18 1.395(10) . ?
C14 C15 1.389(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.395(10) . ?
C15 H15 0.9500 . ?
C16 C17 1.394(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.393(10) . ?
C17 H17 0.9500 . ?
C18 C19 1.42(2) . ?
C19 C20 1.391(10) . ?
C19 C24 1.392(10) . ?
C20 C21 1.388(10) . ?
C20 H20 0.9500 . ?
C21 C22 1.387(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.393(9) . ?
C23 H23 0.9500 . ?
C25 C26 1.391(8) . ?
C25 C30 1.392(9) . ?
C26 C27 1.389(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.386(9) . ?
C27 H27 0.9500 . ?
C28 C29 1.388(9) . ?
C28 H28 0.9500 . ?
C29 C30 1.393(9) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.393(9) . ?
C31 C36 1.394(9) . ?
C32 C33 1.392(9) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(9) . ?
C33 H33 0.9500 . ?
C34 C35 1.388(9) . ?
C34 H34 0.9500 . ?
C35 C36 1.387(9) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C43 1.373(9) . ?
C38 C39' 1.384(10) . ?
C38 C43' 1.395(10) . ?
C38 C39 1.396(10) . ?
C39 C40 1.388(10) . ?
C39 H39 0.9500 . ?
C40 C41 1.384(10) . ?
C40 H40 0.9500 . ?
C41 C42 1.386(10) . ?
C41 H41 0.9500 . ?
C42 C43 1.385(10) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C39' C40' 1.389(10) . ?
C39' H39' 0.9500 . ?
C40' C41' 1.389(10) . ?
C40' H40' 0.9500 . ?
C41' C42' 1.390(10) . ?
C41' H41' 0.9500 . ?
C42' C43' 1.390(10) . ?
C42' H42' 0.9500 . ?
C43' H43' 0.9500 . ?
C44 C45 1.390(9) . ?
C44 C49 1.390(9) . ?
C45 C46 1.397(9) . ?
C45 H45 0.9500 . ?
C46 C47 1.383(10) . ?
C46 H46 0.9500 . ?
C47 C48 1.385(9) . ?
C47 H47 0.9500 . ?
C48 C49 1.392(9) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
Cl1 C50 1.700(10) . ?
Cl2 C50 1.707(10) . ?
Cl2 Cl2' 2.299(18) . ?
Cl2' C50 1.692(10) . ?
Cl3 C51 1.686(10) . ?
Cl4 C51 1.706(10) . ?
Cl4 Cl4' 2.259(19) . ?
Cl4' C51 1.692(10) . ?

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 Pt1 C8 78.6(5) . . ?
C1 Pt1 P1 179.2(4) . . ?
C8 Pt1 P1 100.9(4) . . ?
C1 Pt1 P2 109.2(3) . . ?
C8 Pt1 P2 171.9(4) . . ?
P1 Pt1 P2 71.37(10) . . ?
C25 P1 C31 106.1(5) . . ?
C25 P1 C37 109.3(5) . . ?
C31 P1 C37 107.0(5) . . ?
C25 P1 Pt1 121.9(4) . . ?
C31 P1 Pt1 115.6(4) . . ?
C37 P1 Pt1 95.5(4) . . ?
C25 P1 P2 140.9(3) . . ?
C31 P1 P2 108.8(4) . . ?
C37 P1 P2 43.1(4) . . ?
Pt1 P1 P2 55.10(10) . . ?
C44 P2 C38 111.3(5) . . ?
C44 P2 C37 104.6(5) . . ?
C38 P2 C37 105.7(6) . . ?
C44 P2 Pt1 115.2(4) . . ?
C38 P2 Pt1 122.7(4) . . ?
C37 P2 Pt1 93.3(4) . . ?
C44 P2 P1 106.2(4) . . ?
C38 P2 P1 136.6(4) . . ?
C37 P2 P1 42.4(3) . . ?
Pt1 P2 P1 53.53(9) . . ?
F4 P3 F5 91.5(11) . . ?
F4 P3 F3 88.6(12) . . ?
F5 P3 F3 176.6(10) . . ?
F4 P3 F1 92.8(9) . . ?
F5 P3 F1 92.7(11) . . ?
F3 P3 F1 90.7(11) . . ?
F4 P3 F2 178.7(8) . . ?
F5 P3 F2 89.2(7) . . ?
F3 P3 F2 90.6(10) . . ?
F1 P3 F2 88.1(8) . . ?
F4 P3 F6 87.6(8) . . ?
F5 P3 F6 88.3(9) . . ?
F3 P3 F6 88.3(7) . . ?
F1 P3 F6 178.9(12) . . ?
F2 P3 F6 91.4(7) . . ?
C1 N1 C3 113.7(16) . . ?
C1 N1 C7 116.3(11) . . ?
C3 N1 C7 130.0(16) . . ?
C1 N2 C4 109.8(15) . . ?
C1 N2 C6 124.9(12) . . ?
C4 N2 C6 125.2(16) . . ?
C13 N3 C10 124.9(13) . . ?
C13 N3 C24 106.9(15) . . ?
C10 N3 C24 127.5(12) . . ?
N2 C1 N1 103.5(12) . . ?
N2 C1 Pt1 140.5(10) . . ?
N1 C1 Pt1 116.1(8) . . ?
C4 C3 N1 103.4(18) . . ?
C4 C3 H3 128.3 . . ?
N1 C3 H3 128.3 . . ?
C3 C4 N2 109.6(18) . . ?
C3 C4 H4 125.2 . . ?
N2 C4 H4 125.2 . . ?
N2 C6 H6A 109.5 . . ?
N2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C12 121(2) . . ?
C8 C7 N1 113.4(15) . . ?
C12 C7 N1 125.2(18) . . ?
C7 C8 C9 115.4(15) . . ?
C7 C8 Pt1 115.4(13) . . ?
C9 C8 Pt1 129.1(10) . . ?
C10 C9 C8 122.7(16) . . ?
C10 C9 H9 118.7 . . ?
C8 C9 H9 118.7 . . ?
C9 C10 C11 121(2) . . ?
C9 C10 N3 119.1(17) . . ?
C11 C10 N3 119.7(16) . . ?
C12 C11 C10 118.0(18) . . ?
C12 C11 H11 121.0 . . ?
C10 C11 H11 121.0 . . ?
C11 C12 C7 121(2) . . ?
C11 C12 H12 119.3 . . ?
C7 C12 H12 119.3 . . ?
N3 C13 C14 127.3(17) . . ?
N3 C13 C18 108.9(13) . . ?
C14 C13 C18 123.6(16) . . ?
C15 C14 C13 116.0(17) . . ?
C15 C14 H14 122.0 . . ?
C13 C14 H14 122.0 . . ?
C14 C15 C16 122.3(17) . . ?
C14 C15 H15 118.9 . . ?
C16 C15 H15 118.9 . . ?
C17 C16 C15 119.8(18) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C18 C17 C16 119.6(17) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C13 118.5(15) . . ?
C17 C18 C19 132.8(16) . . ?
C13 C18 C19 108.7(13) . . ?
C20 C19 C24 117.9(16) . . ?
C20 C19 C18 135.1(16) . . ?
C24 C19 C18 107.1(13) . . ?
C21 C20 C19 119.2(18) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
C22 C21 C20 120.9(19) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C21 C22 C23 122.2(17) . . ?
C21 C22 H22 118.9 . . ?
C23 C22 H22 118.9 . . ?
C22 C23 C24 114.9(15) . . ?
C22 C23 H23 122.5 . . ?
C24 C23 H23 122.5 . . ?
C19 C24 C23 124.9(15) . . ?
C19 C24 N3 108.3(12) . . ?
C23 C24 N3 126.8(15) . . ?
C26 C25 C30 118.4(10) . . ?
C26 C25 P1 119.9(7) . . ?
C30 C25 P1 121.5(7) . . ?
C27 C26 C25 121.2(10) . . ?
C27 C26 H26 119.4 . . ?
C25 C26 H26 119.4 . . ?
C28 C27 C26 120.5(11) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C27 C28 C29 118.4(11) . . ?
C27 C28 H28 120.8 . . ?
C29 C28 H28 120.8 . . ?
C28 C29 C30 121.3(11) . . ?
C28 C29 H29 119.3 . . ?
C30 C29 H29 119.3 . . ?
C25 C30 C29 120.1(11) . . ?
C25 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C32 C31 C36 120.1(11) . . ?
C32 C31 P1 120.0(8) . . ?
C36 C31 P1 119.9(8) . . ?
C31 C32 C33 118.9(12) . . ?
C31 C32 H32 120.5 . . ?
C33 C32 H32 120.5 . . ?
C34 C33 C32 120.3(13) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 121.1(12) . . ?
C33 C34 H34 119.4 . . ?
C35 C34 H34 119.4 . . ?
C36 C35 C34 118.4(12) . . ?
C36 C35 H35 120.8 . . ?
C34 C35 H35 120.8 . . ?
C35 C36 C31 121.0(12) . . ?
C35 C36 H36 119.5 . . ?
C31 C36 H36 119.5 . . ?
P1 C37 P2 94.5(5) . . ?
P1 C37 H37A 112.8 . . ?
P2 C37 H37A 112.8 . . ?
P1 C37 H37B 112.8 . . ?
P2 C37 H37B 112.8 . . ?
H37A C37 H37B 110.3 . . ?
C39' C38 C43' 114.0(19) . . ?
C43 C38 C39 120.4(14) . . ?
C43 C38 P2 118.2(10) . . ?
C39' C38 P2 123.0(13) . . ?
C43' C38 P2 117.2(13) . . ?
C39 C38 P2 121.3(10) . . ?
C40 C39 C38 119.3(18) . . ?
C40 C39 H39 120.3 . . ?
C38 C39 H39 120.3 . . ?
C41 C40 C39 121(2) . . ?
C41 C40 H40 119.5 . . ?
C39 C40 H40 119.5 . . ?
C40 C41 C42 118(2) . . ?
C40 C41 H41 120.9 . . ?
C42 C41 H41 120.9 . . ?
C43 C42 C41 122(2) . . ?
C43 C42 H42 119.1 . . ?
C41 C42 H42 119.1 . . ?
C38 C43 C42 119.1(17) . . ?
C38 C43 H43 120.5 . . ?
C42 C43 H43 120.5 . . ?
C38 C39' C40' 123(2) . . ?
C38 C39' H39' 118.3 . . ?
C40' C39' H39' 118.3 . . ?
C41' C40' C39' 119(3) . . ?
C41' C40' H40' 120.6 . . ?
C39' C40' H40' 120.6 . . ?
C40' C41' C42' 120(4) . . ?
C40' C41' H41' 120.2 . . ?
C42' C41' H41' 120.2 . . ?
C43' C42' C41' 119(3) . . ?
C43' C42' H42' 120.7 . . ?
C41' C42' H42' 120.7 . . ?
C42' C43' C38 123(3) . . ?
C42' C43' H43' 118.5 . . ?
C38 C43' H43' 118.5 . . ?
C45 C44 C49 119.1(12) . . ?
C45 C44 P2 122.5(9) . . ?
C49 C44 P2 118.3(9) . . ?
C44 C45 C46 121.4(14) . . ?
C44 C45 H45 119.3 . . ?
C46 C45 H45 119.3 . . ?
C47 C46 C45 118.6(15) . . ?
C47 C46 H46 120.7 . . ?
C45 C46 H46 120.7 . . ?
C46 C47 C48 120.8(14) . . ?
C46 C47 H47 119.6 . . ?
C48 C47 H47 119.6 . . ?
C47 C48 C49 120.1(14) . . ?
C47 C48 H48 119.9 . . ?
C49 C48 H48 119.9 . . ?
C44 C49 C48 120.0(13) . . ?
C44 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C50 Cl2 Cl2' 47.2(5) . . ?
C50 Cl2' Cl2 47.7(5) . . ?
Cl2' C50 Cl1 106.7(8) . . ?
Cl2' C50 Cl2 85.1(9) . . ?
Cl1 C50 Cl2 111.2(9) . . ?
C51 Cl4 Cl4' 48.1(5) . . ?
C51 Cl4' Cl4 48.6(5) . . ?
Cl3 C51 Cl4' 108.2(8) . . ?
Cl3 C51 Cl4 104.4(8) . . ?
Cl4' C51 Cl4 83.4(9) . . ?

_refine_diff_density_max         6.106
_refine_diff_density_min         -2.839
_refine_diff_density_rms         0.268



