# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_Pd2Pt(PhCCPh)1(CH3CN)2
_database_code_depnum_ccdc_archive 'CCDC 2094329'
loop_
_audit_author_name
_audit_author_address
'Koji Yamamoto'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2021-07-05 deposited with the CCDC.	2021-08-09 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT972_Pd2Pt(PhCCPh)1(CH3CN)2 
;
PROBLEM: Check Calcd Resid. Dens.  0.82A   From Pt1            -7.66 eA-3
RESPONSE: These residual densities were observed near heavy atoms (Pt and Pd).
;
_vrf_PLAT973_Pd2Pt(PhCCPh)1(CH3CN)2 
;
PROBLEM: Check Calcd Positive Resid. Density on       Pt1       4.33 eA-3
RESPONSE: These residual positive densities were observed near heavy atoms (Pt and Pd).
;
# Added during the CSD deposition process: Monday 05 July 2021 03:14 AM
# end Validation Reply Form


#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C30 H27 B2 F8 N Pd2 Pt'
_chemical_formula_moiety         'C30 H27 B2 F8 N Pd2 Pt'
_chemical_formula_weight         983.05
_chemical_melting_point          ?
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
_space_group_IT_number           4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   9.0000(17)
_cell_length_b                   11.736(2)
_cell_length_c                   14.406(3)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.775(4)
_cell_angle_gamma                90.0000
_cell_volume                     1521.5(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9998
_cell_measurement_theta_min      3.17
_cell_measurement_theta_max      27.77
_cell_measurement_temperature    153
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_exptl_crystal_density_diffrn    2.146
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             932.00
_exptl_absorpt_coefficient_mu    5.809
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.490
_exptl_absorpt_correction_T_max  0.840

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      153
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            22815
_diffrn_reflns_av_R_equivalents  0.1127
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         3.170
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             6885
_reflns_number_gt                5156
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.893
_reflns_Friedel_fraction_max     0.979
_reflns_Friedel_fraction_full    0.992

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.1063
_refine_ls_R_factor_gt           0.0879
_refine_ls_wR_factor_ref         0.2451
_refine_ls_wR_factor_gt          0.2167
_refine_ls_number_restraints     115
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         6885
_refine_ls_number_parameters     397
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1247P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         3.59
_refine_diff_density_min         -7.51
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 1700 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.001(11)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.91419(10) 0.72393(10) 0.81337(6) 0.0410(3) Uani 1 1 d . . . . .
Pd1 Pd 0.7894(2) 0.74204(19) 0.63553(15) 0.0490(6) Uani 1 1 d . . . . .
Pd2 Pd 0.6671(3) 0.8524(2) 0.78453(16) 0.0520(6) Uani 1 1 d . . . . .
F1 F 0.512(5) 0.960(5) 0.956(2) 0.19(2) Uani 1 1 d . . . . .
F2 F 0.291(4) 0.976(5) 0.919(3) 0.22(2) Uani 1 1 d . . . . .
F3 F 0.431(5) 1.125(3) 0.900(3) 0.152(15) Uani 1 1 d . . . . .
F4 F 0.443(4) 0.971(3) 0.8066(16) 0.130(14) Uani 1 1 d . . . . .
F5 F 1.281(3) 0.697(3) 0.5300(18) 0.117(12) Uani 1 1 d . . . . .
F6 F 1.418(4) 0.846(3) 0.503(2) 0.133(12) Uani 1 1 d . . . . .
F7 F 1.367(2) 0.723(3) 0.3825(14) 0.089(6) Uani 1 1 d . . . . .
F8 F 1.188(3) 0.840(3) 0.4400(17) 0.103(8) Uani 1 1 d . . . . .
N1 N 0.775(4) 0.686(3) 0.492(2) 0.076(8) Uani 1 1 d . U . . .
C1 C 0.745(3) 0.608(3) 0.861(3) 0.066(9) Uani 1 1 d . U . . .
H1 H 0.8006 0.5877 0.9157 0.080 Uiso 1 1 calc R U . . .
C2 C 0.796(3) 0.560(2) 0.780(2) 0.055(7) Uani 1 1 d . U . . .
H2 H 0.8834 0.5145 0.7848 0.066 Uiso 1 1 calc R U . . .
C3 C 0.731(3) 0.571(3) 0.693(3) 0.058(8) Uani 1 1 d . U . . .
H3 H 0.7796 0.5299 0.6456 0.070 Uiso 1 1 calc R U . . .
C4 C 0.604(4) 0.635(3) 0.663(3) 0.065(9) Uani 1 1 d . U . . .
H4 H 0.5804 0.6330 0.5987 0.078 Uiso 1 1 calc R U . . .
C5 C 0.503(3) 0.704(4) 0.724(3) 0.074(9) Uani 1 1 d . U . . .
H5 H 0.4231 0.7423 0.6932 0.089 Uiso 1 1 calc R U . . .
C6 C 0.514(3) 0.717(4) 0.818(3) 0.072(8) Uani 1 1 d . U . . .
H6 H 0.4334 0.7556 0.8458 0.086 Uiso 1 1 calc R U . . .
C7 C 0.627(4) 0.682(4) 0.877(3) 0.080(10) Uani 1 1 d . U . . .
H7 H 0.6228 0.7133 0.9377 0.095 Uiso 1 1 calc R U . . .
C8 C 0.992(3) 0.903(2) 0.814(2) 0.046(6) Uani 1 1 d . . . . .
H8 H 1.0365 0.9026 0.8743 0.055 Uiso 1 1 calc R U . . .
C9 C 1.064(4) 0.843(3) 0.747(3) 0.071(11) Uani 1 1 d . . . . .
H9 H 1.1494 0.8021 0.7681 0.085 Uiso 1 1 calc R U . . .
C10 C 1.029(4) 0.833(3) 0.650(3) 0.071(10) Uani 1 1 d . . . . .
H10 H 1.0861 0.7792 0.6169 0.085 Uiso 1 1 calc R U . . .
C11 C 0.925(5) 0.890(3) 0.600(2) 0.066(9) Uani 1 1 d . . . . .
H11 H 0.9337 0.8831 0.5350 0.079 Uiso 1 1 calc R U . . .
C12 C 0.804(5) 0.960(3) 0.631(3) 0.073(11) Uani 1 1 d . . . . .
H12 H 0.7330 0.9827 0.5851 0.088 Uiso 1 1 calc R U . . .
C13 C 0.783(4) 0.996(3) 0.720(2) 0.061(9) Uani 1 1 d . . . . .
H13 H 0.7061 1.0510 0.7268 0.073 Uiso 1 1 calc R U . . .
C14 C 0.857(4) 0.967(2) 0.805(2) 0.055(8) Uani 1 1 d . . . . .
H14 H 0.8119 0.9916 0.8603 0.066 Uiso 1 1 calc R U . . .
C15 C 1.065(3) 0.682(2) 0.9301(17) 0.036(5) Uani 1 1 d . . . . .
C16 C 1.110(3) 0.625(2) 0.856(2) 0.046(6) Uani 1 1 d . . . . .
C17 C 1.075(3) 0.720(4) 1.0221(18) 0.051(6) Uani 1 1 d . . . . .
C18 C 0.951(3) 0.745(3) 1.074(2) 0.060(8) Uani 1 1 d . . . . .
H18 H 0.8569 0.7431 1.0434 0.073 Uiso 1 1 calc R U . . .
C19 C 0.952(4) 0.772(3) 1.171(3) 0.071(10) Uani 1 1 d . . . . .
H19 H 0.8645 0.7881 1.2050 0.085 Uiso 1 1 calc R U . . .
C20 C 1.093(4) 0.774(3) 1.208(3) 0.064(9) Uani 1 1 d . . . . .
H20 H 1.0996 0.7897 1.2729 0.076 Uiso 1 1 calc R U . . .
C21 C 1.222(3) 0.755(3) 1.166(2) 0.057(8) Uani 1 1 d . . . . .
H21 H 1.3146 0.7603 1.1983 0.068 Uiso 1 1 calc R U . . .
C22 C 1.215(4) 0.728(3) 1.071(2) 0.065(9) Uani 1 1 d . . . . .
H22 H 1.3039 0.7146 1.0385 0.078 Uiso 1 1 calc R U . . .
C23 C 1.197(3) 0.550(2) 0.8120(18) 0.042(6) Uani 1 1 d . . . . .
C24 C 1.190(4) 0.532(3) 0.716(3) 0.067(9) Uani 1 1 d . . . . .
H24 H 1.1206 0.5742 0.6792 0.080 Uiso 1 1 calc R U . . .
C25 C 1.286(3) 0.453(3) 0.672(2) 0.057(8) Uani 1 1 d . . . . .
H25 H 1.2766 0.4366 0.6075 0.068 Uiso 1 1 calc R U . . .
C26 C 1.394(4) 0.400(3) 0.726(3) 0.066(10) Uani 1 1 d . . . . .
H26 H 1.4617 0.3494 0.6971 0.080 Uiso 1 1 calc R U . . .
C27 C 1.407(3) 0.417(3) 0.816(3) 0.056(9) Uani 1 1 d . . . . .
H27 H 1.4827 0.3784 0.8506 0.067 Uiso 1 1 calc R U . . .
C28 C 1.315(3) 0.488(3) 0.861(2) 0.051(7) Uani 1 1 d . . . . .
H28 H 1.3263 0.4976 0.9257 0.061 Uiso 1 1 calc R U . . .
C29 C 0.731(7) 0.643(4) 0.431(4) 0.119(15) Uani 1 1 d . U . . .
C30 C 0.704(9) 0.591(5) 0.349(4) 0.16(3) Uani 1 1 d . U . . .
H30A H 0.7977 0.5703 0.3197 0.188 Uiso 1 1 calc R U . . .
H30B H 0.6484 0.6433 0.3077 0.188 Uiso 1 1 calc R U . . .
H30C H 0.6443 0.5222 0.3587 0.188 Uiso 1 1 calc R U . . .
B1 B 0.418(5) 1.010(4) 0.895(2) 0.061(10) Uani 1 1 d . . . . .
B2 B 1.312(5) 0.768(4) 0.465(3) 0.072(11) Uani 1 1 d . . . . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL Version 2014/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.2 (Rigaku, 2016)'
_computing_molecular_graphics    'CrystalStructure 4.2.2'

#==============================================================================
# MOLECULAR GEOMETRY

_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 2.16(3) . ?
Pt1 C9 2.17(3) . ?
Pt1 C16 2.19(2) . ?
Pt1 C15 2.20(2) . ?
Pt1 C8 2.22(3) . ?
Pt1 C2 2.25(2) . ?
Pt1 Pd2 2.714(3) . ?
Pt1 Pd1 2.791(2) . ?
Pd1 C4 2.14(3) . ?
Pd1 N1 2.17(3) . ?
Pd1 C11 2.19(4) . ?
Pd1 C3 2.24(3) . ?
Pd1 C10 2.41(3) . ?
Pd1 C12 2.56(4) . ?
Pd1 Pd2 2.750(3) . ?
Pd2 C6 2.16(4) . ?
Pd2 C14 2.19(4) . ?
Pd2 C13 2.20(3) . ?
Pd2 C7 2.43(3) . ?
Pd2 C5 2.44(4) . ?
Pd2 F4 2.48(3) . ?
F1 B1 1.35(5) . ?
F2 B1 1.27(5) . ?
F3 B1 1.35(5) . ?
F4 B1 1.38(4) . ?
F5 B2 1.29(5) . ?
F6 B2 1.43(5) . ?
F7 B2 1.40(5) . ?
F8 B2 1.44(6) . ?
N1 C29 1.09(5) . ?
C1 C2 1.38(5) . ?
C1 C7 1.40(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.38(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.43(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.50(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.36(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.38(5) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.36(4) . ?
C8 C14 1.43(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.43(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.35(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.43(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.38(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.42(4) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.34(4) . ?
C15 C17 1.40(4) . ?
C16 C23 1.34(4) . ?
C17 C18 1.39(4) . ?
C17 C22 1.44(4) . ?
C18 C19 1.42(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.38(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.34(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.40(5) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.40(4) . ?
C23 C28 1.46(4) . ?
C24 C25 1.43(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.38(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.32(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.34(4) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.35(7) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 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 Pt1 C9 171.8(15) . . ?
C1 Pt1 C16 98.3(12) . . ?
C9 Pt1 C16 87.7(12) . . ?
C1 Pt1 C15 92.5(11) . . ?
C9 Pt1 C15 95.6(13) . . ?
C16 Pt1 C15 35.4(10) . . ?
C1 Pt1 C8 145.0(13) . . ?
C9 Pt1 C8 36.2(11) . . ?
C16 Pt1 C8 104.4(11) . . ?
C15 Pt1 C8 91.0(11) . . ?
C1 Pt1 C2 36.5(12) . . ?
C9 Pt1 C2 138.9(13) . . ?
C16 Pt1 C2 88.9(12) . . ?
C15 Pt1 C2 104.8(12) . . ?
C8 Pt1 C2 164.3(13) . . ?
C1 Pt1 Pd2 79.7(10) . . ?
C9 Pt1 Pd2 95.0(9) . . ?
C16 Pt1 Pd2 172.7(8) . . ?
C15 Pt1 Pd2 137.4(6) . . ?
C8 Pt1 Pd2 74.4(8) . . ?
C2 Pt1 Pd2 93.4(9) . . ?
C1 Pt1 Pd1 93.8(9) . . ?
C9 Pt1 Pd1 78.1(12) . . ?
C16 Pt1 Pd1 127.4(8) . . ?
C15 Pt1 Pd1 162.6(6) . . ?
C8 Pt1 Pd1 93.2(8) . . ?
C2 Pt1 Pd1 71.8(9) . . ?
Pd2 Pt1 Pd1 59.91(7) . . ?
C4 Pd1 N1 87.9(14) . . ?
C4 Pd1 C11 162.4(15) . . ?
N1 Pd1 C11 92.6(12) . . ?
C4 Pd1 C3 38.2(12) . . ?
N1 Pd1 C3 94.2(13) . . ?
C11 Pd1 C3 158.8(14) . . ?
C4 Pd1 C10 161.0(14) . . ?
N1 Pd1 C10 105.0(14) . . ?
C11 Pd1 C10 33.7(13) . . ?
C3 Pd1 C10 125.2(12) . . ?
C4 Pd1 C12 129.4(15) . . ?
N1 Pd1 C12 106.1(12) . . ?
C11 Pd1 C12 34.0(13) . . ?
C3 Pd1 C12 156.7(14) . . ?
C10 Pd1 C12 60.9(13) . . ?
C4 Pd1 Pd2 79.0(11) . . ?
N1 Pd1 Pd2 150.0(9) . . ?
C11 Pd1 Pd2 92.1(8) . . ?
C3 Pd1 Pd2 91.9(10) . . ?
C10 Pd1 Pd2 95.1(10) . . ?
C12 Pd1 Pd2 64.7(10) . . ?
C4 Pd1 Pt1 95.2(10) . . ?
N1 Pd1 Pt1 150.4(9) . . ?
C11 Pd1 Pt1 93.1(9) . . ?
C3 Pd1 Pt1 71.5(8) . . ?
C10 Pd1 Pt1 66.7(9) . . ?
C12 Pd1 Pt1 94.6(9) . . ?
Pd2 Pd1 Pt1 58.65(7) . . ?
C6 Pd2 C14 157.1(13) . . ?
C6 Pd2 C13 165.1(13) . . ?
C14 Pd2 C13 37.8(11) . . ?
C6 Pd2 C7 34.4(13) . . ?
C14 Pd2 C7 123.7(12) . . ?
C13 Pd2 C7 159.8(12) . . ?
C6 Pd2 C5 33.8(13) . . ?
C14 Pd2 C5 162.4(12) . . ?
C13 Pd2 C5 133.4(13) . . ?
C7 Pd2 C5 61.0(12) . . ?
C6 Pd2 F4 82.1(14) . . ?
C14 Pd2 F4 105.9(12) . . ?
C13 Pd2 F4 90.8(14) . . ?
C7 Pd2 F4 105.3(13) . . ?
C5 Pd2 F4 87.6(13) . . ?
C6 Pd2 Pt1 94.7(10) . . ?
C14 Pd2 Pt1 71.6(7) . . ?
C13 Pd2 Pt1 95.7(9) . . ?
C7 Pd2 Pt1 65.7(9) . . ?
C5 Pd2 Pt1 98.6(9) . . ?
F4 Pd2 Pt1 163.8(5) . . ?
C6 Pd2 Pd1 95.1(10) . . ?
C14 Pd2 Pd1 94.1(7) . . ?
C13 Pd2 Pd1 80.6(9) . . ?
C7 Pd2 Pd1 96.0(11) . . ?
C5 Pd2 Pd1 68.3(10) . . ?
F4 Pd2 Pd1 134.5(6) . . ?
Pt1 Pd2 Pd1 61.44(7) . . ?
B1 F4 Pd2 117(2) . . ?
C29 N1 Pd1 158(5) . . ?
C2 C1 C7 131(3) . . ?
C2 C1 Pt1 75.3(19) . . ?
C7 C1 Pt1 102(2) . . ?
C2 C1 H1 114.7 . . ?
C7 C1 H1 114.7 . . ?
Pt1 C1 H1 93.5 . . ?
C3 C2 C1 126(3) . . ?
C3 C2 Pt1 107.6(19) . . ?
C1 C2 Pt1 68.2(17) . . ?
C3 C2 H2 117.0 . . ?
C1 C2 H2 117.0 . . ?
Pt1 C2 H2 94.4 . . ?
C2 C3 C4 131(4) . . ?
C2 C3 Pd1 109.1(18) . . ?
C4 C3 Pd1 67.1(17) . . ?
C2 C3 H3 114.7 . . ?
C4 C3 H3 114.7 . . ?
Pd1 C3 H3 94.3 . . ?
C3 C4 C5 126(3) . . ?
C3 C4 Pd1 74.7(16) . . ?
C5 C4 Pd1 106(2) . . ?
C3 C4 H4 116.8 . . ?
C5 C4 H4 116.8 . . ?
Pd1 C4 H4 89.6 . . ?
C6 C5 C4 127(3) . . ?
C6 C5 Pd2 62(2) . . ?
C4 C5 Pd2 103.1(19) . . ?
C6 C5 H5 116.6 . . ?
C4 C5 H5 116.6 . . ?
Pd2 C5 H5 106.1 . . ?
C5 C6 C7 129(3) . . ?
C5 C6 Pd2 85(2) . . ?
C7 C6 Pd2 84(2) . . ?
C5 C6 H6 115.7 . . ?
C7 C6 H6 115.7 . . ?
Pd2 C6 H6 103.8 . . ?
C6 C7 C1 130(4) . . ?
C6 C7 Pd2 62(2) . . ?
C1 C7 Pd2 108(2) . . ?
C6 C7 H7 115.0 . . ?
C1 C7 H7 115.0 . . ?
Pd2 C7 H7 101.4 . . ?
C9 C8 C14 128(3) . . ?
C9 C8 Pt1 70.1(18) . . ?
C14 C8 Pt1 103(2) . . ?
C9 C8 H8 116.1 . . ?
C14 C8 H8 116.1 . . ?
Pt1 C8 H8 97.4 . . ?
C8 C9 C10 129(3) . . ?
C8 C9 Pt1 73.7(18) . . ?
C10 C9 Pt1 104(2) . . ?
C8 C9 H9 115.5 . . ?
C10 C9 H9 115.5 . . ?
Pt1 C9 H9 92.4 . . ?
C11 C10 C9 128(4) . . ?
C11 C10 Pd1 64(2) . . ?
C9 C10 Pd1 108(2) . . ?
C11 C10 H10 115.8 . . ?
C9 C10 H10 115.8 . . ?
Pd1 C10 H10 98.6 . . ?
C10 C11 C12 130(3) . . ?
C10 C11 Pd1 82(2) . . ?
C12 C11 Pd1 87(2) . . ?
C10 C11 H11 114.9 . . ?
C12 C11 H11 114.9 . . ?
Pd1 C11 H11 102.3 . . ?
C13 C12 C11 125(3) . . ?
C13 C12 Pd1 106(2) . . ?
C11 C12 Pd1 59(2) . . ?
C13 C12 H12 117.4 . . ?
C11 C12 H12 117.4 . . ?
Pd1 C12 H12 105.4 . . ?
C12 C13 C14 131(3) . . ?
C12 C13 Pd2 103(2) . . ?
C14 C13 Pd2 70.7(19) . . ?
C12 C13 H13 114.4 . . ?
C14 C13 H13 114.4 . . ?
Pd2 C13 H13 97.1 . . ?
C13 C14 C8 127(3) . . ?
C13 C14 Pd2 72(2) . . ?
C8 C14 Pd2 110.7(19) . . ?
C13 C14 H14 116.7 . . ?
C8 C14 H14 116.7 . . ?
Pd2 C14 H14 87.7 . . ?
C16 C15 C17 155(2) . . ?
C16 C15 Pt1 71.9(14) . . ?
C17 C15 Pt1 133.0(18) . . ?
C15 C16 C23 153(3) . . ?
C15 C16 Pt1 72.7(14) . . ?
C23 C16 Pt1 134(2) . . ?
C18 C17 C15 123(3) . . ?
C18 C17 C22 115(3) . . ?
C15 C17 C22 122(3) . . ?
C17 C18 C19 126(3) . . ?
C17 C18 H18 117.2 . . ?
C19 C18 H18 117.2 . . ?
C20 C19 C18 112(3) . . ?
C20 C19 H19 123.8 . . ?
C18 C19 H19 123.8 . . ?
C21 C20 C19 128(4) . . ?
C21 C20 H20 115.8 . . ?
C19 C20 H20 115.8 . . ?
C20 C21 C22 117(3) . . ?
C20 C21 H21 121.7 . . ?
C22 C21 H21 121.7 . . ?
C21 C22 C17 122(3) . . ?
C21 C22 H22 119.2 . . ?
C17 C22 H22 119.2 . . ?
C16 C23 C24 123(3) . . ?
C16 C23 C28 122(2) . . ?
C24 C23 C28 115(2) . . ?
C23 C24 C25 121(3) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 H24 119.5 . . ?
C26 C25 C24 118(4) . . ?
C26 C25 H25 121.0 . . ?
C24 C25 H25 121.0 . . ?
C27 C26 C25 123(3) . . ?
C27 C26 H26 118.7 . . ?
C25 C26 H26 118.7 . . ?
C26 C27 C28 121(3) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 H27 119.5 . . ?
C27 C28 C23 122(3) . . ?
C27 C28 H28 118.9 . . ?
C23 C28 H28 118.9 . . ?
N1 C29 C30 169(8) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
F2 B1 F3 113(5) . . ?
F2 B1 F1 104(5) . . ?
F3 B1 F1 110(4) . . ?
F2 B1 F4 108(4) . . ?
F3 B1 F4 111(3) . . ?
F1 B1 F4 110(4) . . ?
F5 B2 F7 117(4) . . ?
F5 B2 F6 107(4) . . ?
F7 B2 F6 109(3) . . ?
F5 B2 F8 113(4) . . ?
F7 B2 F8 107(4) . . ?
F6 B2 F8 103(4) . . ?

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
C7 C1 C2 C3 -3(5) . . . . ?
Pt1 C1 C2 C3 -96(2) . . . . ?
C7 C1 C2 Pt1 93(4) . . . . ?
C1 C2 C3 C4 2(5) . . . . ?
Pt1 C2 C3 C4 -74(3) . . . . ?
C1 C2 C3 Pd1 78(3) . . . . ?
Pt1 C2 C3 Pd1 2(3) . . . . ?
C2 C3 C4 C5 -2(5) . . . . ?
Pd1 C3 C4 C5 -98(3) . . . . ?
C2 C3 C4 Pd1 96(3) . . . . ?
C3 C4 C5 C6 -1(6) . . . . ?
Pd1 C4 C5 C6 -83(4) . . . . ?
C3 C4 C5 Pd2 63(4) . . . . ?
Pd1 C4 C5 Pd2 -19(2) . . . . ?
C4 C5 C6 C7 8(7) . . . . ?
Pd2 C5 C6 C7 -77(4) . . . . ?
C4 C5 C6 Pd2 85(4) . . . . ?
C5 C6 C7 C1 -12(7) . . . . ?
Pd2 C6 C7 C1 -90(4) . . . . ?
C5 C6 C7 Pd2 78(4) . . . . ?
C2 C1 C7 C6 9(6) . . . . ?
Pt1 C1 C7 C6 90(4) . . . . ?
C2 C1 C7 Pd2 -59(4) . . . . ?
Pt1 C1 C7 Pd2 22(2) . . . . ?
C14 C8 C9 C10 4(6) . . . . ?
Pt1 C8 C9 C10 95(4) . . . . ?
C14 C8 C9 Pt1 -91(3) . . . . ?
C8 C9 C10 C11 8(6) . . . . ?
Pt1 C9 C10 C11 88(4) . . . . ?
C8 C9 C10 Pd1 -63(4) . . . . ?
Pt1 C9 C10 Pd1 17(2) . . . . ?
C9 C10 C11 C12 -13(7) . . . . ?
Pd1 C10 C11 C12 80(4) . . . . ?
C9 C10 C11 Pd1 -93(4) . . . . ?
C10 C11 C12 C13 10(6) . . . . ?
Pd1 C11 C12 C13 88(3) . . . . ?
C10 C11 C12 Pd1 -78(4) . . . . ?
C11 C12 C13 C14 -9(6) . . . . ?
Pd1 C12 C13 C14 54(5) . . . . ?
C11 C12 C13 Pd2 -85(4) . . . . ?
Pd1 C12 C13 Pd2 -22(3) . . . . ?
C12 C13 C14 C8 12(6) . . . . ?
Pd2 C13 C14 C8 102(3) . . . . ?
C12 C13 C14 Pd2 -91(4) . . . . ?
C9 C8 C14 C13 -11(6) . . . . ?
Pt1 C8 C14 C13 -86(4) . . . . ?
C9 C8 C14 Pd2 70(4) . . . . ?
Pt1 C8 C14 Pd2 -4(2) . . . . ?
C17 C15 C16 C23 11(12) . . . . ?
Pt1 C15 C16 C23 -175(7) . . . . ?
C17 C15 C16 Pt1 -174(7) . . . . ?
C16 C15 C17 C18 -151(6) . . . . ?
Pt1 C15 C17 C18 37(5) . . . . ?
C16 C15 C17 C22 24(9) . . . . ?
Pt1 C15 C17 C22 -148(3) . . . . ?
C15 C17 C18 C19 173(3) . . . . ?
C22 C17 C18 C19 -2(6) . . . . ?
C17 C18 C19 C20 1(5) . . . . ?
C18 C19 C20 C21 2(6) . . . . ?
C19 C20 C21 C22 -2(6) . . . . ?
C20 C21 C22 C17 0(5) . . . . ?
C18 C17 C22 C21 2(6) . . . . ?
C15 C17 C22 C21 -173(3) . . . . ?
C15 C16 C23 C24 -175(6) . . . . ?
Pt1 C16 C23 C24 11(5) . . . . ?
C15 C16 C23 C28 -1(8) . . . . ?
Pt1 C16 C23 C28 -174(2) . . . . ?
C16 C23 C24 C25 179(3) . . . . ?
C28 C23 C24 C25 4(4) . . . . ?
C23 C24 C25 C26 -5(5) . . . . ?
C24 C25 C26 C27 3(5) . . . . ?
C25 C26 C27 C28 0(5) . . . . ?
C26 C27 C28 C23 -1(5) . . . . ?
C16 C23 C28 C27 -177(3) . . . . ?
C24 C23 C28 C27 -1(4) . . . . ?
Pd1 N1 C29 C30 -160(25) . . . . ?
Pd2 F4 B1 F2 -123(4) . . . . ?
Pd2 F4 B1 F3 114(4) . . . . ?
Pd2 F4 B1 F1 -9(5) . . . . ?

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

_shelxl_version_number           2014-1


####################################################################### 
# 
# 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_shelxl
_database_code_depnum_ccdc_archive 'CCDC 2094330'
loop_
_audit_author_name
_audit_author_address
'Koji Yamamoto'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2021-07-05 deposited with the CCDC.	2021-08-09 downloaded from the CCDC.
;
_audit_creation_date             2021-06-03
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C42 H36 O Pd Pt2, 2(B F4)'
_chemical_formula_sum            'C42 H36 B2 F8 O Pd Pt2'
_chemical_formula_weight         1226.91
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.2863(3)
_cell_length_b                   10.8987(4)
_cell_length_c                   17.5682(5)
_cell_angle_alpha                104.1710(9)
_cell_angle_beta                 103.2030(9)
_cell_angle_gamma                92.3928(11)
_cell_volume                     1849.13(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    52722
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      3.14
_shelx_estimated_absorpt_T_max   0.443
_shelx_estimated_absorpt_T_min   0.294
_exptl_absorpt_coefficient_mu    8.104
_exptl_absorpt_correction_T_max  0.380
_exptl_absorpt_correction_T_min  0.024
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.204
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0947
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_Laue_measured_fraction_full 0.955
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            35926
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         3.140
_diffrn_ambient_temperature      153.15
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'Rigaku Saturn724+'
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_source_type              'sealed X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6296
_reflns_number_total             6957
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SIR97  (Burla et al.,  2007)'
_refine_diff_density_max         3.178
_refine_diff_density_min         -2.761
_refine_diff_density_rms         0.332
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         6957
_refine_ls_number_restraints     358
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0501
_refine_ls_restrained_S_all      1.095
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+106.4109P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1493
_refine_ls_wR_factor_ref         0.1516
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim C42: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
C15 \\sim C16 \\sim Pt1: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C27 \\sim C28 \\sim C23 \\sim C24 \\sim C25 \\sim C26: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08 within 1.7A
C17 \\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08 within 1.7A
Uanis(C37) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C40)
\\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C42) \\sim Ueq: with sigma of 0.1 and
sigma for terminal atoms of 0.2
Uanis(C15) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(Pt1) \\sim Ueq: with sigma of
0.05 and sigma for terminal atoms of 0.01
Uanis(C27) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C24)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C26) \\sim Ueq: with sigma of 0.1 and
sigma for terminal atoms of 0.2
Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C20)
\\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C22) \\sim Ueq: with sigma of 0.1 and
sigma for terminal atoms of 0.2
3. Rigid body (RIGU) restrains
 C37, C38, C39, C40, C41, C42
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C15, C16, Pt1
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C27, C28, C23, C24, C25, C26
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C17, C18, C19, C20, C21, C22
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C16, C23
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Rotating group:
 O1(H1A,H1B)
4.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9),
 C10(H10), C11(H11), C12(H12), C13(H13), C14(H14), C18(H18), C19(H19), C20(H20),
  C21(H21), C22(H22), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28),
 C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38), C39(H39), C40(H40),
  C41(H41), C42(H42)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.57503(5) 0.50445(5) 0.20610(3) 0.01460(14) Uani 1 1 d . U . . .
Pt2 Pt 0.75650(5) 0.37030(5) 0.28683(3) 0.01526(14) Uani 1 1 d . . . . .
Pd1 Pd 0.85101(10) 0.57691(10) 0.24498(6) 0.0170(2) Uani 1 1 d . . . . .
F1 F 0.8249(11) 0.7782(9) 0.1253(6) 0.041(2) Uani 1 1 d . . . . .
F2 F 0.8215(16) 0.9303(12) 0.2385(8) 0.077(5) Uani 1 1 d . . . . .
F3 F 0.8399(12) 0.9876(10) 0.1258(8) 0.052(3) Uani 1 1 d . . . . .
F4 F 1.0142(11) 0.9029(12) 0.1920(9) 0.068(4) Uani 1 1 d . . . . .
F5 F 1.1970(12) 0.7926(10) 0.4062(8) 0.053(3) Uani 1 1 d . . . . .
F6 F 1.2462(11) 0.5995(10) 0.3430(6) 0.046(3) Uani 1 1 d . . . . .
F7 F 1.2176(11) 0.6379(11) 0.4706(6) 0.049(3) Uani 1 1 d . . . . .
F8 F 1.4026(11) 0.7273(14) 0.4464(8) 0.065(4) Uani 1 1 d . . . . .
O1 O 1.0416(11) 0.6771(12) 0.2348(7) 0.039(3) Uani 1 1 d . . . . .
H1A H 1.023510 0.747562 0.221709 0.058 Uiso 1 1 d R U . . .
H1B H 1.097285 0.701306 0.282407 0.058 Uiso 1 1 d R U . . .
C1 C 0.5876(14) 0.6607(13) 0.3120(8) 0.024(3) Uani 1 1 d . . . . .
H1 H 0.508274 0.693780 0.289070 0.029 Uiso 1 1 calc R U . . .
C2 C 0.5680(14) 0.5484(14) 0.3369(8) 0.021(3) Uani 1 1 d . . . . .
H2 H 0.477847 0.510889 0.323177 0.025 Uiso 1 1 calc R U . . .
C3 C 0.6667(16) 0.4834(13) 0.3805(9) 0.025(3) Uani 1 1 d . . . . .
H3 H 0.633747 0.411272 0.394437 0.030 Uiso 1 1 calc R U . . .
C4 C 0.8083(14) 0.5162(14) 0.4047(8) 0.023(3) Uani 1 1 d . . . . .
H4 H 0.857780 0.465873 0.435853 0.028 Uiso 1 1 calc R U . . .
C5 C 0.8859(14) 0.6134(14) 0.3887(8) 0.024(3) Uani 1 1 d . . . . .
H5 H 0.980265 0.610257 0.402817 0.029 Uiso 1 1 calc R U . . .
C6 C 0.8428(16) 0.7139(14) 0.3550(9) 0.029(3) Uani 1 1 d . . . . .
H6 H 0.910682 0.778192 0.358327 0.034 Uiso 1 1 calc R U . . .
C7 C 0.7106(16) 0.7300(13) 0.3169(8) 0.025(3) Uani 1 1 d . . . . .
H7 H 0.702693 0.796964 0.290729 0.030 Uiso 1 1 calc R U . . .
C8 C 0.5901(15) 0.3972(15) 0.0881(9) 0.028(3) Uani 1 1 d . . . . .
H8 H 0.504503 0.408978 0.057918 0.034 Uiso 1 1 calc R U . . .
C9 C 0.5918(15) 0.2989(14) 0.1262(8) 0.025(3) Uani 1 1 d . . . . .
H9 H 0.506402 0.263510 0.127182 0.030 Uiso 1 1 calc R U . . .
C10 C 0.7052(14) 0.2439(13) 0.1642(8) 0.021(3) Uani 1 1 d . . . . .
H10 H 0.686343 0.168535 0.179449 0.026 Uiso 1 1 calc R U . . .
C11 C 0.8427(14) 0.2907(13) 0.1815(9) 0.021(3) Uani 1 1 d . . . . .
H11 H 0.904780 0.242064 0.206913 0.026 Uiso 1 1 calc R U . . .
C12 C 0.9002(14) 0.4001(14) 0.1658(9) 0.024(3) Uani 1 1 d . . . . .
H12 H 0.993873 0.422172 0.188417 0.028 Uiso 1 1 calc R U . . .
C13 C 0.8324(16) 0.4810(15) 0.1197(9) 0.028(3) Uani 1 1 d . . . . .
H13 H 0.888697 0.543340 0.109588 0.034 Uiso 1 1 calc R U . . .
C14 C 0.6966(17) 0.4805(15) 0.0881(8) 0.029(3) Uani 1 1 d . . . . .
H14 H 0.672112 0.546626 0.062749 0.034 Uiso 1 1 calc R U . . .
C15 C 0.3967(12) 0.5869(12) 0.1478(8) 0.016(2) Uani 1 1 d . U . . .
C16 C 0.3536(12) 0.4874(14) 0.1588(9) 0.021(3) Uani 1 1 d . U . . .
C17 C 0.3923(13) 0.6994(13) 0.1188(8) 0.020(3) Uani 1 1 d . U . . .
C18 C 0.5067(15) 0.7741(13) 0.1194(8) 0.022(3) Uani 1 1 d . U . . .
H18 H 0.593497 0.754904 0.143058 0.027 Uiso 1 1 calc R U . . .
C19 C 0.4927(18) 0.8762(15) 0.0853(9) 0.032(3) Uani 1 1 d . U . . .
H19 H 0.570789 0.925277 0.084661 0.038 Uiso 1 1 calc R U . . .
C20 C 0.369(2) 0.9082(16) 0.0524(11) 0.041(3) Uani 1 1 d . U . . .
H20 H 0.361070 0.980211 0.030777 0.049 Uiso 1 1 calc R U . . .
C21 C 0.2558(19) 0.8354(16) 0.0509(10) 0.036(3) Uani 1 1 d . U . . .
H21 H 0.170050 0.856063 0.026572 0.044 Uiso 1 1 calc R U . . .
C22 C 0.2640(16) 0.7326(15) 0.0842(10) 0.031(3) Uani 1 1 d . U . . .
H22 H 0.184699 0.684465 0.084017 0.037 Uiso 1 1 calc R U . . .
C23 C 0.2707(13) 0.3702(13) 0.1461(9) 0.021(3) Uani 1 1 d . U . . .
C24 C 0.2092(16) 0.3021(17) 0.0679(10) 0.036(3) Uani 1 1 d . U . . .
H24 H 0.219754 0.334151 0.023757 0.043 Uiso 1 1 calc R U . . .
C25 C 0.1326(19) 0.1881(19) 0.0533(12) 0.047(4) Uani 1 1 d . U . . .
H25 H 0.091212 0.141260 -0.000756 0.056 Uiso 1 1 calc R U . . .
C26 C 0.1162(16) 0.1419(16) 0.1179(11) 0.036(3) Uani 1 1 d . U . . .
H26 H 0.062617 0.063705 0.107772 0.044 Uiso 1 1 calc R U . . .
C27 C 0.1755(14) 0.2068(13) 0.1951(10) 0.025(3) Uani 1 1 d . U . . .
H27 H 0.162651 0.174907 0.238859 0.031 Uiso 1 1 calc R U . . .
C28 C 0.2554(15) 0.3202(15) 0.2102(10) 0.029(3) Uani 1 1 d . U . . .
H28 H 0.299818 0.364152 0.264343 0.035 Uiso 1 1 calc R U . . .
C29 C 0.8604(14) 0.2399(12) 0.3508(8) 0.020(3) Uani 1 1 d . . . . .
C30 C 0.7379(15) 0.2035(12) 0.3330(9) 0.022(3) Uani 1 1 d . . . . .
C31 C 1.0076(12) 0.2364(12) 0.3807(8) 0.015(3) Uani 1 1 d . . . . .
C32 C 1.1024(15) 0.3346(14) 0.3873(9) 0.026(3) Uani 1 1 d . . . . .
H32 H 1.075381 0.408478 0.370964 0.031 Uiso 1 1 calc R U . . .
C33 C 1.2363(15) 0.3249(14) 0.4177(9) 0.026(3) Uani 1 1 d . . . . .
H33 H 1.301548 0.392336 0.422211 0.031 Uiso 1 1 calc R U . . .
C34 C 1.2764(17) 0.2177(15) 0.4417(9) 0.032(4) Uani 1 1 d . . . . .
H34 H 1.368884 0.210590 0.462046 0.038 Uiso 1 1 calc R U . . .
C35 C 1.1810(17) 0.1221(16) 0.4356(11) 0.037(4) Uani 1 1 d . . . . .
H35 H 1.207892 0.049310 0.453333 0.044 Uiso 1 1 calc R U . . .
C36 C 1.0472(16) 0.1291(15) 0.4044(10) 0.031(3) Uani 1 1 d . . . . .
H36 H 0.982532 0.060827 0.399097 0.038 Uiso 1 1 calc R U . . .
C37 C 0.6255(14) 0.1245(13) 0.3333(9) 0.023(3) Uani 1 1 d . U . . .
C38 C 0.5065(16) 0.1059(15) 0.2749(10) 0.034(4) Uani 1 1 d . U . . .
H38 H 0.496403 0.154000 0.235971 0.041 Uiso 1 1 calc R U . . .
C39 C 0.3980(18) 0.0170(19) 0.2709(12) 0.044(4) Uani 1 1 d . U . . .
H39 H 0.318415 -0.000667 0.228404 0.053 Uiso 1 1 calc R U . . .
C40 C 0.4183(16) -0.0440(14) 0.3362(10) 0.031(3) Uani 1 1 d . U . . .
H40 H 0.347706 -0.101084 0.338485 0.037 Uiso 1 1 calc R U . . .
C41 C 0.5338(17) -0.0227(14) 0.3941(10) 0.031(3) Uani 1 1 d . U . . .
H41 H 0.542664 -0.064768 0.436143 0.037 Uiso 1 1 calc R U . . .
C42 C 0.6393(17) 0.0586(14) 0.3937(10) 0.031(3) Uani 1 1 d . U . . .
H42 H 0.721156 0.070288 0.434078 0.037 Uiso 1 1 calc R U . . .
B1 B 0.872(2) 0.905(2) 0.1719(13) 0.043(5) Uani 1 1 d . . . . .
B2 B 1.2701(18) 0.6896(19) 0.4196(11) 0.032(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Pt2 2.7691(7) . ?
Pt1 Pd1 2.7950(11) . ?
Pt1 C1 2.168(13) . ?
Pt1 C2 2.249(13) . ?
Pt1 C8 2.159(14) . ?
Pt1 C9 2.371(14) . ?
Pt1 C14 2.621(15) . ?
Pt1 C15 2.225(13) . ?
Pt1 C16 2.222(12) . ?
Pt2 Pd1 2.7405(11) . ?
Pt2 C3 2.208(14) . ?
Pt2 C4 2.216(14) . ?
Pt2 C10 2.187(13) . ?
Pt2 C11 2.235(14) . ?
Pt2 C29 2.188(13) . ?
Pt2 C30 2.183(13) . ?
Pd1 O1 2.268(11) . ?
Pd1 C5 2.397(13) . ?
Pd1 C6 2.155(15) . ?
Pd1 C7 2.544(15) . ?
Pd1 C12 2.234(14) . ?
Pd1 C13 2.153(16) . ?
F1 B1 1.42(2) . ?
F2 B1 1.36(2) . ?
F3 B1 1.36(2) . ?
F4 B1 1.43(3) . ?
F5 B2 1.41(2) . ?
F6 B2 1.42(2) . ?
F7 B2 1.36(2) . ?
F8 B2 1.35(2) . ?
O1 H1A 0.8699 . ?
O1 H1B 0.8700 . ?
C1 H1 0.9500 . ?
C1 C2 1.42(2) . ?
C1 C7 1.42(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.45(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.42(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.42(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.41(2) . ?
C6 H6 0.9500 . ?
C6 C7 1.41(2) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C8 C9 1.39(2) . ?
C8 C14 1.39(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.44(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.42(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.42(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.44(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.38(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.230(18) . ?
C15 C17 1.437(18) . ?
C16 C23 1.446(18) . ?
C17 C18 1.399(18) . ?
C17 C22 1.42(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.39(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.37(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.37(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.38(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.38(2) . ?
C23 C28 1.40(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.38(2) . ?
C25 H25 0.9500 . ?
C25 C26 1.39(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.35(2) . ?
C27 H27 0.9500 . ?
C27 C28 1.39(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.25(2) . ?
C29 C31 1.491(18) . ?
C30 C37 1.415(19) . ?
C31 C32 1.383(19) . ?
C31 C36 1.38(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.38(2) . ?
C33 H33 0.9500 . ?
C33 C34 1.38(2) . ?
C34 H34 0.9500 . ?
C34 C35 1.37(2) . ?
C35 H35 0.9500 . ?
C35 C36 1.37(2) . ?
C36 H36 0.9500 . ?
C37 C38 1.38(2) . ?
C37 C42 1.40(2) . ?
C38 H38 0.9500 . ?
C38 C39 1.424(19) . ?
C39 H39 0.9500 . ?
C39 C40 1.44(2) . ?
C40 H40 0.9500 . ?
C40 C41 1.34(2) . ?
C41 H41 0.9500 . ?
C41 C42 1.37(2) . ?
C42 H42 0.9500 . ?

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
Pt2 Pt1 Pd1 59.01(3) . . ?
C1 Pt1 Pt2 94.7(4) . . ?
C1 Pt1 Pd1 81.4(4) . . ?
C1 Pt1 C2 37.4(5) . . ?
C1 Pt1 C9 160.0(5) . . ?
C1 Pt1 C14 130.8(5) . . ?
C1 Pt1 C15 85.9(5) . . ?
C1 Pt1 C16 96.8(5) . . ?
C2 Pt1 Pt2 70.5(4) . . ?
C2 Pt1 Pd1 92.9(4) . . ?
C2 Pt1 C9 124.4(5) . . ?
C2 Pt1 C14 154.2(5) . . ?
C8 Pt1 Pt2 93.3(4) . . ?
C8 Pt1 Pd1 88.6(4) . . ?
C8 Pt1 C1 161.5(6) . . ?
C8 Pt1 C2 159.8(6) . . ?
C8 Pt1 C9 35.5(6) . . ?
C8 Pt1 C14 32.1(5) . . ?
C8 Pt1 C15 89.7(5) . . ?
C8 Pt1 C16 88.9(6) . . ?
C9 Pt1 Pt2 66.6(4) . . ?
C9 Pt1 Pd1 93.9(4) . . ?
C9 Pt1 C14 60.3(5) . . ?
C14 Pt1 Pt2 92.4(3) . . ?
C14 Pt1 Pd1 61.4(3) . . ?
C15 Pt1 Pt2 167.7(3) . . ?
C15 Pt1 Pd1 133.1(3) . . ?
C15 Pt1 C2 103.7(5) . . ?
C15 Pt1 C9 110.8(5) . . ?
C15 Pt1 C14 96.5(5) . . ?
C16 Pt1 Pt2 136.0(4) . . ?
C16 Pt1 Pd1 165.0(4) . . ?
C16 Pt1 C2 94.6(5) . . ?
C16 Pt1 C9 92.6(5) . . ?
C16 Pt1 C14 110.9(5) . . ?
C16 Pt1 C15 32.1(5) . . ?
Pd1 Pt2 Pt1 60.96(3) . . ?
C3 Pt2 Pt1 75.0(4) . . ?
C3 Pt2 Pd1 94.8(4) . . ?
C3 Pt2 C4 37.6(5) . . ?
C3 Pt2 C11 168.2(5) . . ?
C4 Pt2 Pt1 96.1(4) . . ?
C4 Pt2 Pd1 78.3(4) . . ?
C4 Pt2 C11 140.4(5) . . ?
C10 Pt2 Pt1 79.0(4) . . ?
C10 Pt2 Pd1 95.7(4) . . ?
C10 Pt2 C3 142.5(6) . . ?
C10 Pt2 C4 173.6(5) . . ?
C10 Pt2 C11 37.5(5) . . ?
C10 Pt2 C29 98.5(5) . . ?
C11 Pt2 Pt1 95.2(4) . . ?
C11 Pt2 Pd1 74.4(4) . . ?
C29 Pt2 Pt1 167.5(3) . . ?
C29 Pt2 Pd1 131.6(3) . . ?
C29 Pt2 C3 101.1(5) . . ?
C29 Pt2 C4 87.2(5) . . ?
C29 Pt2 C11 89.9(5) . . ?
C30 Pt2 Pt1 134.3(4) . . ?
C30 Pt2 Pd1 164.8(4) . . ?
C30 Pt2 C3 90.7(5) . . ?
C30 Pt2 C4 97.9(5) . . ?
C30 Pt2 C10 88.5(5) . . ?
C30 Pt2 C11 101.0(5) . . ?
C30 Pt2 C29 33.2(5) . . ?
Pt2 Pd1 Pt1 60.02(2) . . ?
O1 Pd1 Pt1 155.6(3) . . ?
O1 Pd1 Pt2 142.5(3) . . ?
O1 Pd1 C5 102.1(5) . . ?
O1 Pd1 C7 112.4(5) . . ?
C5 Pd1 Pt1 96.4(3) . . ?
C5 Pd1 Pt2 67.8(4) . . ?
C5 Pd1 C7 61.5(5) . . ?
C6 Pd1 Pt1 92.1(4) . . ?
C6 Pd1 Pt2 95.5(4) . . ?
C6 Pd1 O1 93.7(5) . . ?
C6 Pd1 C5 35.5(6) . . ?
C6 Pd1 C7 33.7(5) . . ?
C6 Pd1 C12 158.3(6) . . ?
C7 Pd1 Pt1 63.4(3) . . ?
C7 Pd1 Pt2 94.7(3) . . ?
C12 Pd1 Pt1 95.4(4) . . ?
C12 Pd1 Pt2 71.1(4) . . ?
C12 Pd1 O1 87.7(5) . . ?
C12 Pd1 C5 123.1(5) . . ?
C12 Pd1 C7 158.7(5) . . ?
C13 Pd1 Pt1 83.5(4) . . ?
C13 Pd1 Pt2 96.0(4) . . ?
C13 Pd1 O1 84.3(5) . . ?
C13 Pd1 C5 160.7(5) . . ?
C13 Pd1 C6 163.5(6) . . ?
C13 Pd1 C7 133.1(5) . . ?
C13 Pd1 C12 38.2(5) . . ?
Pd1 O1 H1A 109.3 . . ?
Pd1 O1 H1B 109.3 . . ?
H1A O1 H1B 104.5 . . ?
Pt1 C1 H1 95.0 . . ?
C2 C1 Pt1 74.4(8) . . ?
C2 C1 H1 115.9 . . ?
C2 C1 C7 128.3(13) . . ?
C7 C1 Pt1 101.2(9) . . ?
C7 C1 H1 115.9 . . ?
Pt1 C2 H2 92.0 . . ?
C1 C2 Pt1 68.2(7) . . ?
C1 C2 H2 115.6 . . ?
C1 C2 C3 128.7(13) . . ?
C3 C2 Pt1 110.0(9) . . ?
C3 C2 H2 115.6 . . ?
Pt2 C3 H3 94.3 . . ?
C2 C3 Pt2 104.5(9) . . ?
C2 C3 H3 116.6 . . ?
C4 C3 Pt2 71.5(8) . . ?
C4 C3 C2 126.8(13) . . ?
C4 C3 H3 116.6 . . ?
Pt2 C4 H4 97.4 . . ?
C3 C4 Pt2 70.9(8) . . ?
C3 C4 H4 115.4 . . ?
C5 C4 Pt2 102.5(9) . . ?
C5 C4 C3 129.1(13) . . ?
C5 C4 H4 115.4 . . ?
Pd1 C5 H5 99.1 . . ?
C4 C5 Pd1 108.8(9) . . ?
C4 C5 H5 115.4 . . ?
C6 C5 Pd1 62.8(8) . . ?
C6 C5 C4 129.2(13) . . ?
C6 C5 H5 115.4 . . ?
Pd1 C6 H6 101.2 . . ?
C5 C6 Pd1 81.7(9) . . ?
C5 C6 H6 116.2 . . ?
C5 C6 C7 127.5(13) . . ?
C7 C6 Pd1 88.4(9) . . ?
C7 C6 H6 116.2 . . ?
Pd1 C7 H7 105.3 . . ?
C1 C7 Pd1 107.8(9) . . ?
C1 C7 H7 115.3 . . ?
C6 C7 Pd1 57.9(8) . . ?
C6 C7 C1 129.4(13) . . ?
C6 C7 H7 115.3 . . ?
Pt1 C8 H8 98.0 . . ?
C9 C8 Pt1 80.6(9) . . ?
C9 C8 H8 115.5 . . ?
C14 C8 Pt1 92.5(9) . . ?
C14 C8 H8 115.5 . . ?
C14 C8 C9 129.0(14) . . ?
Pt1 C9 H9 95.2 . . ?
C8 C9 Pt1 64.0(8) . . ?
C8 C9 H9 115.6 . . ?
C8 C9 C10 128.8(14) . . ?
C10 C9 Pt1 111.1(9) . . ?
C10 C9 H9 115.6 . . ?
Pt2 C10 H10 96.2 . . ?
C9 C10 Pt2 101.2(9) . . ?
C9 C10 H10 116.6 . . ?
C11 C10 Pt2 73.1(8) . . ?
C11 C10 C9 126.8(13) . . ?
C11 C10 H10 116.6 . . ?
Pt2 C11 H11 97.4 . . ?
C10 C11 Pt2 69.4(8) . . ?
C10 C11 H11 115.5 . . ?
C10 C11 C12 129.0(13) . . ?
C12 C11 Pt2 103.9(9) . . ?
C12 C11 H11 115.5 . . ?
Pd1 C12 H12 92.0 . . ?
C11 C12 Pd1 110.2(9) . . ?
C11 C12 H12 116.4 . . ?
C11 C12 C13 127.2(13) . . ?
C13 C12 Pd1 67.9(8) . . ?
C13 C12 H12 116.4 . . ?
Pd1 C13 H13 95.8 . . ?
C12 C13 Pd1 74.0(9) . . ?
C12 C13 H13 115.6 . . ?
C14 C13 Pd1 100.9(10) . . ?
C14 C13 C12 128.8(14) . . ?
C14 C13 H13 115.6 . . ?
Pt1 C14 H14 107.0 . . ?
C8 C14 Pt1 55.4(7) . . ?
C8 C14 H14 115.3 . . ?
C13 C14 Pt1 108.6(10) . . ?
C13 C14 C8 129.4(14) . . ?
C13 C14 H14 115.3 . . ?
C16 C15 Pt1 73.8(8) . . ?
C16 C15 C17 157.4(13) . . ?
C17 C15 Pt1 128.6(9) . . ?
C15 C16 Pt1 74.1(8) . . ?
C15 C16 C23 160.3(14) . . ?
C23 C16 Pt1 121.7(10) . . ?
C18 C17 C15 123.7(12) . . ?
C18 C17 C22 118.6(13) . . ?
C22 C17 C15 117.6(12) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 C17 119.6(14) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 H19 119.2 . . ?
C20 C19 C18 121.6(16) . . ?
C20 C19 H19 119.2 . . ?
C19 C20 H20 120.3 . . ?
C21 C20 C19 119.4(15) . . ?
C21 C20 H20 120.3 . . ?
C20 C21 H21 119.3 . . ?
C20 C21 C22 121.4(16) . . ?
C22 C21 H21 119.3 . . ?
C17 C22 H22 120.3 . . ?
C21 C22 C17 119.4(15) . . ?
C21 C22 H22 120.3 . . ?
C24 C23 C16 118.8(13) . . ?
C24 C23 C28 118.7(14) . . ?
C28 C23 C16 122.4(13) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 C23 120.5(16) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.7(17) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 119.6 . . ?
C27 C26 C25 120.8(15) . . ?
C27 C26 H26 119.6 . . ?
C26 C27 H27 120.1 . . ?
C26 C27 C28 119.8(14) . . ?
C28 C27 H27 120.1 . . ?
C23 C28 H28 119.8 . . ?
C27 C28 C23 120.4(14) . . ?
C27 C28 H28 119.8 . . ?
C30 C29 Pt2 73.2(9) . . ?
C30 C29 C31 158.0(13) . . ?
C31 C29 Pt2 128.5(9) . . ?
C29 C30 Pt2 73.6(8) . . ?
C29 C30 C37 153.8(14) . . ?
C37 C30 Pt2 132.5(11) . . ?
C32 C31 C29 123.5(12) . . ?
C36 C31 C29 116.4(11) . . ?
C36 C31 C32 120.1(12) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 C31 119.6(13) . . ?
C33 C32 H32 120.2 . . ?
C32 C33 H33 119.7 . . ?
C32 C33 C34 120.5(14) . . ?
C34 C33 H33 119.7 . . ?
C33 C34 H34 120.5 . . ?
C35 C34 C33 119.0(14) . . ?
C35 C34 H34 120.5 . . ?
C34 C35 H35 119.3 . . ?
C34 C35 C36 121.4(15) . . ?
C36 C35 H35 119.3 . . ?
C31 C36 H36 120.3 . . ?
C35 C36 C31 119.4(14) . . ?
C35 C36 H36 120.3 . . ?
C38 C37 C30 122.4(13) . . ?
C38 C37 C42 119.4(13) . . ?
C42 C37 C30 118.1(14) . . ?
C37 C38 H38 118.8 . . ?
C37 C38 C39 122.3(15) . . ?
C39 C38 H38 118.8 . . ?
C38 C39 H39 122.5 . . ?
C38 C39 C40 114.9(15) . . ?
C40 C39 H39 122.5 . . ?
C39 C40 H40 118.9 . . ?
C41 C40 C39 122.1(14) . . ?
C41 C40 H40 118.9 . . ?
C40 C41 H41 119.3 . . ?
C40 C41 C42 121.4(15) . . ?
C42 C41 H41 119.3 . . ?
C37 C42 H42 120.2 . . ?
C41 C42 C37 119.7(15) . . ?
C41 C42 H42 120.2 . . ?
F1 B1 F4 102.9(18) . . ?
F2 B1 F1 109.1(15) . . ?
F2 B1 F4 112.3(18) . . ?
F3 B1 F1 110.3(16) . . ?
F3 B1 F2 113(2) . . ?
F3 B1 F4 108.8(15) . . ?
F5 B2 F6 105.9(14) . . ?
F7 B2 F5 107.7(15) . . ?
F7 B2 F6 109.1(14) . . ?
F8 B2 F5 110.8(15) . . ?
F8 B2 F6 108.8(15) . . ?
F8 B2 F7 114.2(16) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 C1 C2 C3 98.7(14) . . . . ?
Pt1 C1 C7 Pd1 -23.7(9) . . . . ?
Pt1 C1 C7 C6 -86.4(16) . . . . ?
Pt1 C2 C3 Pt2 -3.2(10) . . . . ?
Pt1 C2 C3 C4 74.4(16) . . . . ?
Pt1 C8 C9 C10 -97.0(15) . . . . ?
Pt1 C8 C14 C13 86.2(16) . . . . ?
Pt1 C9 C10 Pt2 14.0(10) . . . . ?
Pt1 C9 C10 C11 -63.2(17) . . . . ?
Pt1 C15 C16 C23 -146(5) . . . . ?
Pt1 C15 C17 C18 3(2) . . . . ?
Pt1 C15 C17 C22 -179.5(11) . . . . ?
Pt1 C16 C23 C24 -111.0(14) . . . . ?
Pt1 C16 C23 C28 66.1(18) . . . . ?
Pt2 C3 C4 C5 90.8(15) . . . . ?
Pt2 C4 C5 Pd1 15.7(10) . . . . ?
Pt2 C4 C5 C6 85.4(16) . . . . ?
Pt2 C10 C11 C12 -91.5(15) . . . . ?
Pt2 C11 C12 Pd1 -5.8(11) . . . . ?
Pt2 C11 C12 C13 -82.8(16) . . . . ?
Pt2 C29 C30 C37 -176(3) . . . . ?
Pt2 C29 C31 C32 14(2) . . . . ?
Pt2 C29 C31 C36 -167.2(11) . . . . ?
Pt2 C30 C37 C38 28(2) . . . . ?
Pt2 C30 C37 C42 -154.7(12) . . . . ?
Pd1 C5 C6 C7 81.5(15) . . . . ?
Pd1 C6 C7 C1 87.3(15) . . . . ?
Pd1 C12 C13 C14 -91.2(17) . . . . ?
Pd1 C13 C14 Pt1 -22.6(10) . . . . ?
Pd1 C13 C14 C8 -82.6(16) . . . . ?
C1 C2 C3 Pt2 -80.7(15) . . . . ?
C1 C2 C3 C4 -3(2) . . . . ?
C2 C1 C7 Pd1 55.2(16) . . . . ?
C2 C1 C7 C6 -8(2) . . . . ?
C2 C3 C4 Pt2 -94.5(14) . . . . ?
C2 C3 C4 C5 -4(2) . . . . ?
C3 C4 C5 Pd1 -59.8(17) . . . . ?
C3 C4 C5 C6 10(2) . . . . ?
C4 C5 C6 Pd1 -92.7(14) . . . . ?
C4 C5 C6 C7 -11(3) . . . . ?
C5 C6 C7 Pd1 -78.2(14) . . . . ?
C5 C6 C7 C1 9(3) . . . . ?
C7 C1 C2 Pt1 -92.0(14) . . . . ?
C7 C1 C2 C3 7(2) . . . . ?
C8 C9 C10 Pt2 87.0(16) . . . . ?
C8 C9 C10 C11 10(2) . . . . ?
C9 C8 C14 Pt1 -79.9(15) . . . . ?
C9 C8 C14 C13 6(3) . . . . ?
C9 C10 C11 Pt2 91.5(14) . . . . ?
C9 C10 C11 C12 0(2) . . . . ?
C10 C11 C12 Pd1 68.8(17) . . . . ?
C10 C11 C12 C13 -8(2) . . . . ?
C11 C12 C13 Pd1 99.2(14) . . . . ?
C11 C12 C13 C14 8(3) . . . . ?
C12 C13 C14 Pt1 55.6(19) . . . . ?
C12 C13 C14 C8 -4(3) . . . . ?
C14 C8 C9 Pt1 85.6(15) . . . . ?
C14 C8 C9 C10 -11(3) . . . . ?
C15 C16 C23 C24 30(5) . . . . ?
C15 C16 C23 C28 -153(4) . . . . ?
C15 C17 C18 C19 175.8(14) . . . . ?
C15 C17 C22 C21 -175.9(14) . . . . ?
C16 C15 C17 C18 -168(3) . . . . ?
C16 C15 C17 C22 9(4) . . . . ?
C16 C23 C24 C25 178.1(16) . . . . ?
C16 C23 C28 C27 -179.5(14) . . . . ?
C17 C15 C16 Pt1 173(4) . . . . ?
C17 C15 C16 C23 27(7) . . . . ?
C17 C18 C19 C20 2(2) . . . . ?
C18 C17 C22 C21 1(2) . . . . ?
C18 C19 C20 C21 -2(3) . . . . ?
C19 C20 C21 C22 2(3) . . . . ?
C20 C21 C22 C17 -2(3) . . . . ?
C22 C17 C18 C19 -1(2) . . . . ?
C23 C24 C25 C26 1(3) . . . . ?
C24 C23 C28 C27 -2(2) . . . . ?
C24 C25 C26 C27 -1(3) . . . . ?
C25 C26 C27 C28 -1(2) . . . . ?
C26 C27 C28 C23 2(2) . . . . ?
C28 C23 C24 C25 1(3) . . . . ?
C29 C30 C37 C38 -156(3) . . . . ?
C29 C30 C37 C42 21(4) . . . . ?
C29 C31 C32 C33 178.1(14) . . . . ?
C29 C31 C36 C35 -177.3(15) . . . . ?
C30 C29 C31 C32 -176(3) . . . . ?
C30 C29 C31 C36 2(4) . . . . ?
C30 C37 C38 C39 173.8(16) . . . . ?
C30 C37 C42 C41 -177.6(14) . . . . ?
C31 C29 C30 Pt2 -171(4) . . . . ?
C31 C29 C30 C37 12(6) . . . . ?
C31 C32 C33 C34 0(2) . . . . ?
C32 C31 C36 C35 1(2) . . . . ?
C32 C33 C34 C35 -1(2) . . . . ?
C33 C34 C35 C36 2(3) . . . . ?
C34 C35 C36 C31 -2(3) . . . . ?
C36 C31 C32 C33 0(2) . . . . ?
C37 C38 C39 C40 5(3) . . . . ?
C38 C37 C42 C41 0(2) . . . . ?
C38 C39 C40 C41 -3(3) . . . . ?
C39 C40 C41 C42 0(3) . . . . ?
C40 C41 C42 C37 2(2) . . . . ?
C42 C37 C38 C39 -3(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 0.000 15.3 1.9 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelxl_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2094332'
loop_
_audit_author_name
_audit_author_address
'Koji Yamamoto'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2021-07-05 deposited with the CCDC.	2021-08-09 downloaded from the CCDC.
;
_audit_creation_date             2021-06-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H40 N4 Pd4 Pt2, 2(B F4)'
_chemical_formula_sum            'C36 H40 B2 F8 N4 Pd4 Pt2'
_chemical_formula_weight         1518.12
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.4221(4)
_cell_length_b                   13.8137(4)
_cell_length_c                   14.3901(4)
_cell_angle_alpha                83.8592(8)
_cell_angle_beta                 76.9542(9)
_cell_angle_gamma                71.2097(9)
_cell_volume                     2092.55(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    32874
_cell_measurement_temperature    143.15
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      3.02
_shelx_estimated_absorpt_T_max   0.487
_shelx_estimated_absorpt_T_min   0.138
_exptl_absorpt_coefficient_mu    8.409
_exptl_absorpt_correction_T_max  0.432
_exptl_absorpt_correction_T_min  0.124
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.409
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1412
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0893
_diffrn_reflns_av_unetI/netI     0.0746
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            30310
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.020
_diffrn_ambient_temperature      143.15
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 10.000
_diffrn_detector_type            'Rigaku Saturn724+'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_source_type              'sealed X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6878
_reflns_number_total             7365
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SIR97  (Burla et al.,  2007)'
_refine_diff_density_max         3.597
_refine_diff_density_min         -2.386
_refine_diff_density_rms         0.209
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     509
_refine_ls_number_reflns         7365
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0388
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0333P)²+8.0476P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0946
_refine_ls_wR_factor_ref         0.0961
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9),
 C10(H10), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C17(H17),
  C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24),
 C25(H25), C26(H26), C27(H27), C28(H28)
2.b Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C34(H34A,H34B,H34C), C36(H36A,H36B,
 H36C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.19751(2) 0.21004(2) 0.37578(2) 0.02179(9) Uani 1 1 d . . . . .
Pt2 Pt 0.09448(2) 0.13365(2) 0.26269(2) 0.02343(9) Uani 1 1 d . . . . .
Pd1 Pd 0.36534(5) 0.31231(4) 0.39445(4) 0.02304(13) Uani 1 1 d . . . . .
Pd2 Pd 0.22773(5) 0.25112(4) 0.55475(3) 0.02110(13) Uani 1 1 d . . . . .
Pd3 Pd -0.08421(5) 0.13495(4) 0.15734(4) 0.02426(13) Uani 1 1 d . . . . .
Pd4 Pd 0.10654(5) -0.03893(4) 0.16506(3) 0.02364(13) Uani 1 1 d . . . . .
F1 F 0.2308(5) 0.4602(5) 0.0788(4) 0.0656(16) Uani 1 1 d . . . . .
F2 F 0.1595(5) 0.5356(4) -0.0535(4) 0.0591(14) Uani 1 1 d . . . . .
F3 F 0.3077(6) 0.3816(4) -0.0609(5) 0.0770(19) Uani 1 1 d . . . . .
F4 F 0.3581(6) 0.5195(5) -0.0394(4) 0.0684(16) Uani 1 1 d . . . . .
F5 F -0.4379(5) 0.3567(5) 0.6328(4) 0.0743(18) Uani 1 1 d . . . . .
F6 F -0.3198(5) 0.2010(4) 0.5820(5) 0.0673(17) Uani 1 1 d . . . . .
F7 F -0.3011(5) 0.3393(4) 0.4919(3) 0.0606(15) Uani 1 1 d . . . . .
F8 F -0.2287(5) 0.3053(4) 0.6295(3) 0.0439(11) Uani 1 1 d . . . . .
N1 N 0.5111(6) 0.3832(5) 0.3342(5) 0.0367(15) Uani 1 1 d . . . . .
N2 N 0.1716(7) 0.2750(5) 0.7112(4) 0.0359(15) Uani 1 1 d . . . . .
N3 N -0.2650(6) 0.2168(5) 0.1157(4) 0.0351(15) Uani 1 1 d . . . . .
N4 N 0.2211(7) -0.1983(5) 0.1334(4) 0.0388(16) Uani 1 1 d . . . . .
C1 C 0.0192(7) 0.3295(5) 0.4531(5) 0.0281(16) Uani 1 1 d . . . . .
H1 H -0.034881 0.287760 0.467305 0.034 Uiso 1 1 calc R U . . .
C2 C 0.0583(7) 0.3535(5) 0.3544(5) 0.0346(18) Uani 1 1 d . . . . .
H2 H 0.015378 0.336603 0.312246 0.041 Uiso 1 1 calc R U . . .
C3 C 0.1522(7) 0.3990(6) 0.3115(5) 0.0365(18) Uani 1 1 d . . . . .
H3 H 0.174499 0.398278 0.243798 0.044 Uiso 1 1 calc R U . . .
C4 C 0.2167(7) 0.4449(6) 0.3554(6) 0.0385(19) Uani 1 1 d . . . . .
H4 H 0.272384 0.475818 0.313070 0.046 Uiso 1 1 calc R U . . .
C5 C 0.2115(7) 0.4525(5) 0.4545(6) 0.0316(17) Uani 1 1 d . . . . .
H5 H 0.264486 0.486735 0.469497 0.038 Uiso 1 1 calc R U . . .
C6 C 0.1365(7) 0.4149(5) 0.5328(5) 0.0299(16) Uani 1 1 d . . . . .
H6 H 0.144652 0.428112 0.594109 0.036 Uiso 1 1 calc R U . . .
C7 C 0.0507(6) 0.3600(5) 0.5325(5) 0.0263(15) Uani 1 1 d . . . . .
H7 H 0.009113 0.341487 0.593405 0.032 Uiso 1 1 calc R U . . .
C8 C 0.3112(7) 0.0597(5) 0.4079(6) 0.0320(17) Uani 1 1 d . . . . .
H8 H 0.265301 0.025847 0.382961 0.038 Uiso 1 1 calc R U . . .
C9 C 0.3932(6) 0.1042(5) 0.3404(5) 0.0283(16) Uani 1 1 d . . . . .
H9 H 0.391164 0.099913 0.275329 0.034 Uiso 1 1 calc R U . . .
C10 C 0.4772(7) 0.1539(5) 0.3564(5) 0.0288(16) Uani 1 1 d . . . . .
H10 H 0.525839 0.176756 0.301020 0.035 Uiso 1 1 calc R U . . .
C11 C 0.4978(7) 0.1739(5) 0.4464(5) 0.0256(15) Uani 1 1 d . . . . .
H11 H 0.560117 0.206831 0.442782 0.031 Uiso 1 1 calc R U . . .
C12 C 0.4392(6) 0.1518(5) 0.5376(5) 0.0260(15) Uani 1 1 d . . . . .
H12 H 0.460795 0.177221 0.588073 0.031 Uiso 1 1 calc R U . . .
C13 C 0.3520(6) 0.0967(5) 0.5655(5) 0.0261(15) Uani 1 1 d . . . . .
H13 H 0.331754 0.081750 0.632082 0.031 Uiso 1 1 calc R U . . .
C14 C 0.2912(7) 0.0610(5) 0.5100(5) 0.0283(15) Uani 1 1 d . . . . .
H14 H 0.227020 0.033426 0.544330 0.034 Uiso 1 1 calc R U . . .
C15 C -0.0861(8) 0.1363(6) 0.3629(5) 0.0357(18) Uani 1 1 d . . . . .
H15 H -0.099368 0.202078 0.385100 0.043 Uiso 1 1 calc R U . . .
C16 C 0.0180(8) 0.0576(7) 0.3871(5) 0.041(2) Uani 1 1 d . . . . .
H16 H 0.061810 0.074437 0.428581 0.049 Uiso 1 1 calc R U . . .
C17 C 0.0635(8) -0.0438(7) 0.3558(6) 0.044(2) Uani 1 1 d . . . . .
H17 H 0.139384 -0.084367 0.374928 0.053 Uiso 1 1 calc R U . . .
C18 C 0.0164(8) -0.0941(6) 0.3019(5) 0.0372(19) Uani 1 1 d . . . . .
H18 H 0.058638 -0.165333 0.295671 0.045 Uiso 1 1 calc R U . . .
C19 C -0.0845(8) -0.0543(6) 0.2557(5) 0.0350(17) Uani 1 1 d . . . . .
H19 H -0.094332 -0.098627 0.213943 0.042 Uiso 1 1 calc R U . . .
C20 C -0.1746(7) 0.0446(6) 0.2635(5) 0.0323(16) Uani 1 1 d . . . . .
H20 H -0.244451 0.055234 0.234017 0.039 Uiso 1 1 calc R U . . .
C21 C -0.1729(7) 0.1297(5) 0.3100(5) 0.0300(16) Uani 1 1 d . . . . .
H21 H -0.239864 0.190943 0.304688 0.036 Uiso 1 1 calc R U . . .
C22 C 0.0912(10) 0.2468(6) 0.1209(6) 0.053(3) Uani 1 1 d . . . . .
H22 H 0.053659 0.311399 0.149536 0.064 Uiso 1 1 calc R U . . .
C23 C 0.2064(10) 0.1899(8) 0.1438(5) 0.051(3) Uani 1 1 d . . . . .
H23 H 0.243793 0.224314 0.176716 0.061 Uiso 1 1 calc R U . . .
C24 C 0.2726(8) 0.0888(8) 0.1241(6) 0.046(2) Uani 1 1 d . . . . .
H24 H 0.345890 0.061246 0.150823 0.055 Uiso 1 1 calc R U . . .
C25 C 0.2486(7) 0.0202(6) 0.0707(6) 0.0384(19) Uani 1 1 d . . . . .
H25 H 0.307390 -0.046672 0.065704 0.046 Uiso 1 1 calc R U . . .
C26 C 0.1444(8) 0.0404(6) 0.0225(5) 0.0377(19) Uani 1 1 d . . . . .
H26 H 0.143536 -0.015404 -0.010358 0.045 Uiso 1 1 calc R U . . .
C27 C 0.0471(8) 0.1286(7) 0.0177(5) 0.042(2) Uani 1 1 d . . . . .
H27 H -0.011041 0.126782 -0.019515 0.050 Uiso 1 1 calc R U . . .
C28 C 0.0216(8) 0.2239(7) 0.0622(7) 0.050(2) Uani 1 1 d . . . . .
H28 H -0.050755 0.277480 0.050383 0.060 Uiso 1 1 calc R U . . .
C29 C 0.5876(8) 0.4203(6) 0.3183(6) 0.0377(18) Uani 1 1 d . . . . .
C30 C 0.6892(9) 0.4687(8) 0.2980(7) 0.055(2) Uani 1 1 d . . . . .
H30A H 0.741304 0.450212 0.234488 0.082 Uiso 1 1 calc R U . . .
H30B H 0.741925 0.444779 0.346030 0.082 Uiso 1 1 calc R U . . .
H30C H 0.651882 0.543239 0.299953 0.082 Uiso 1 1 calc R U . . .
C31 C 0.1209(8) 0.3217(6) 0.7768(5) 0.0339(17) Uani 1 1 d . . . . .
C32 C 0.0549(11) 0.3833(9) 0.8595(6) 0.068(3) Uani 1 1 d . . . . .
H32A H 0.047361 0.455290 0.842334 0.102 Uiso 1 1 calc R U . . .
H32B H 0.102304 0.360298 0.910893 0.102 Uiso 1 1 calc R U . . .
H32C H -0.029575 0.375747 0.881203 0.102 Uiso 1 1 calc R U . . .
C33 C -0.3659(8) 0.2573(6) 0.1097(5) 0.0334(17) Uani 1 1 d . . . . .
C34 C -0.4988(8) 0.3081(7) 0.1045(6) 0.048(2) Uani 1 1 d . . . . .
H34A H -0.523099 0.272255 0.060457 0.073 Uiso 1 1 calc R U . . .
H34B H -0.509820 0.379248 0.081577 0.073 Uiso 1 1 calc R U . . .
H34C H -0.552041 0.306698 0.168120 0.073 Uiso 1 1 calc R U . . .
C35 C 0.2835(8) -0.2794(6) 0.1430(5) 0.0352(18) Uani 1 1 d . . . . .
C36 C 0.3654(8) -0.3819(6) 0.1560(6) 0.043(2) Uani 1 1 d . . . . .
H36A H 0.451603 -0.387219 0.121771 0.065 Uiso 1 1 calc R U . . .
H36B H 0.335386 -0.430813 0.130942 0.065 Uiso 1 1 calc R U . . .
H36C H 0.364728 -0.397366 0.224174 0.065 Uiso 1 1 calc R U . . .
B1 B 0.2628(9) 0.4743(7) -0.0194(6) 0.038(2) Uani 1 1 d . . . . .
B2 B -0.3235(8) 0.3005(6) 0.5844(6) 0.0322(19) 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 Pt2 2.6793(3) . ?
Pt1 Pd1 2.7931(6) . ?
Pt1 Pd2 2.8132(5) . ?
Pt1 C1 2.306(7) . ?
Pt1 C2 2.147(7) . ?
Pt1 C3 2.601(8) . ?
Pt1 C8 2.131(7) . ?
Pt1 C9 2.221(6) . ?
Pt2 Pd3 2.7984(5) . ?
Pt2 Pd4 2.8449(6) . ?
Pt2 C15 2.226(7) . ?
Pt2 C16 2.134(7) . ?
Pt2 C22 2.433(9) . ?
Pt2 C23 2.129(8) . ?
Pt2 C24 2.474(9) . ?
Pd1 Pd2 2.7034(7) . ?
Pd1 N1 2.167(7) . ?
Pd1 C4 2.182(7) . ?
Pd1 C5 2.250(7) . ?
Pd1 C10 2.205(7) . ?
Pd1 C11 2.201(7) . ?
Pd2 N2 2.227(6) . ?
Pd2 C6 2.186(7) . ?
Pd2 C7 2.165(6) . ?
Pd2 C12 2.334(7) . ?
Pd2 C13 2.160(6) . ?
Pd2 C14 2.601(7) . ?
Pd3 Pd4 2.6850(7) . ?
Pd3 N3 2.194(6) . ?
Pd3 C20 2.160(7) . ?
Pd3 C21 2.206(7) . ?
Pd3 C27 2.210(8) . ?
Pd3 C28 2.167(8) . ?
Pd4 N4 2.203(6) . ?
Pd4 C18 2.188(7) . ?
Pd4 C19 2.337(8) . ?
Pd4 C25 2.184(8) . ?
Pd4 C26 2.240(7) . ?
F1 B1 1.387(10) . ?
F2 B1 1.370(10) . ?
F3 B1 1.364(10) . ?
F4 B1 1.384(12) . ?
F5 B2 1.359(10) . ?
F6 B2 1.365(10) . ?
F7 B2 1.381(10) . ?
F8 B2 1.403(10) . ?
N1 C29 1.120(10) . ?
N2 C31 1.133(9) . ?
N3 C33 1.126(9) . ?
N4 C35 1.132(10) . ?
C1 H1 0.9500 . ?
C1 C2 1.426(11) . ?
C1 C7 1.413(9) . ?
C2 H2 0.9500 . ?
C2 C3 1.406(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.393(12) . ?
C4 H4 0.9500 . ?
C4 C5 1.427(11) . ?
C5 H5 0.9500 . ?
C5 C6 1.415(11) . ?
C6 H6 0.9500 . ?
C6 C7 1.420(10) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C8 C9 1.426(11) . ?
C8 C14 1.435(10) . ?
C9 H9 0.9500 . ?
C9 C10 1.415(10) . ?
C10 H10 0.9500 . ?
C10 C11 1.437(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.383(10) . ?
C12 H12 0.9500 . ?
C12 C13 1.406(10) . ?
C13 H13 0.9500 . ?
C13 C14 1.385(10) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.411(12) . ?
C15 C21 1.408(11) . ?
C16 H16 0.9500 . ?
C16 C17 1.412(12) . ?
C17 H17 0.9500 . ?
C17 C18 1.386(12) . ?
C18 H18 0.9500 . ?
C18 C19 1.389(11) . ?
C19 H19 0.9500 . ?
C19 C20 1.419(11) . ?
C20 H20 0.9500 . ?
C20 C21 1.421(10) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.390(14) . ?
C22 C28 1.403(14) . ?
C23 H23 0.9500 . ?
C23 C24 1.382(14) . ?
C24 H24 0.9500 . ?
C24 C25 1.408(12) . ?
C25 H25 0.9500 . ?
C25 C26 1.446(11) . ?
C26 H26 0.9500 . ?
C26 C27 1.367(12) . ?
C27 H27 0.9500 . ?
C27 C28 1.442(13) . ?
C28 H28 0.9500 . ?
C29 C30 1.478(12) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.452(11) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.468(11) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.443(11) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 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
Pt2 Pt1 Pd1 149.118(15) . . ?
Pt2 Pt1 Pd2 153.223(16) . . ?
Pd1 Pt1 Pd2 57.659(15) . . ?
C1 Pt1 Pt2 99.78(17) . . ?
C1 Pt1 Pd1 95.43(17) . . ?
C1 Pt1 Pd2 68.90(17) . . ?
C1 Pt1 C3 62.3(2) . . ?
C2 Pt1 Pt2 85.8(2) . . ?
C2 Pt1 Pd1 90.5(2) . . ?
C2 Pt1 Pd2 96.7(2) . . ?
C2 Pt1 C1 37.2(3) . . ?
C2 Pt1 C3 32.7(3) . . ?
C2 Pt1 C9 150.5(3) . . ?
C3 Pt1 Pt2 101.31(17) . . ?
C3 Pt1 Pd1 62.76(18) . . ?
C3 Pt1 Pd2 94.66(16) . . ?
C8 Pt1 Pt2 90.36(18) . . ?
C8 Pt1 Pd1 96.96(19) . . ?
C8 Pt1 Pd2 83.14(19) . . ?
C8 Pt1 C1 136.4(3) . . ?
C8 Pt1 C2 171.0(3) . . ?
C8 Pt1 C3 156.2(3) . . ?
C8 Pt1 C9 38.2(3) . . ?
C9 Pt1 Pt2 98.09(17) . . ?
C9 Pt1 Pd1 71.25(19) . . ?
C9 Pt1 Pd2 92.74(17) . . ?
C9 Pt1 C1 161.4(2) . . ?
C9 Pt1 C3 118.8(3) . . ?
Pt1 Pt2 Pd3 156.142(16) . . ?
Pt1 Pt2 Pd4 147.002(15) . . ?
Pd3 Pt2 Pd4 56.813(16) . . ?
C15 Pt2 Pt1 99.02(19) . . ?
C15 Pt2 Pd3 71.0(2) . . ?
C15 Pt2 Pd4 94.4(2) . . ?
C15 Pt2 C22 119.6(3) . . ?
C15 Pt2 C24 159.9(3) . . ?
C16 Pt2 Pt1 87.5(2) . . ?
C16 Pt2 Pd3 95.9(2) . . ?
C16 Pt2 Pd4 85.0(2) . . ?
C16 Pt2 C15 37.7(3) . . ?
C16 Pt2 C22 156.8(3) . . ?
C16 Pt2 C24 137.4(3) . . ?
C22 Pt2 Pt1 104.7(2) . . ?
C22 Pt2 Pd3 65.1(2) . . ?
C22 Pt2 Pd4 94.4(2) . . ?
C22 Pt2 C24 60.8(3) . . ?
C23 Pt2 Pt1 87.7(2) . . ?
C23 Pt2 Pd3 92.7(2) . . ?
C23 Pt2 Pd4 93.4(2) . . ?
C23 Pt2 C15 153.8(4) . . ?
C23 Pt2 C16 168.5(4) . . ?
C23 Pt2 C22 34.7(4) . . ?
C23 Pt2 C24 33.9(3) . . ?
C24 Pt2 Pt1 100.1(2) . . ?
C24 Pt2 Pd3 93.33(18) . . ?
C24 Pt2 Pd4 66.0(2) . . ?
Pd2 Pd1 Pt1 61.544(16) . . ?
N1 Pd1 Pt1 151.61(18) . . ?
N1 Pd1 Pd2 146.73(17) . . ?
N1 Pd1 C4 92.5(3) . . ?
N1 Pd1 C5 98.4(3) . . ?
N1 Pd1 C10 97.5(3) . . ?
N1 Pd1 C11 93.7(3) . . ?
C4 Pd1 Pt1 82.1(2) . . ?
C4 Pd1 Pd2 98.0(2) . . ?
C4 Pd1 C5 37.5(3) . . ?
C4 Pd1 C10 143.1(3) . . ?
C4 Pd1 C11 173.3(3) . . ?
C5 Pd1 Pt1 94.09(19) . . ?
C5 Pd1 Pd2 72.9(2) . . ?
C10 Pd1 Pt1 72.38(19) . . ?
C10 Pd1 Pd2 92.82(19) . . ?
C10 Pd1 C5 164.0(3) . . ?
C11 Pd1 Pt1 93.57(19) . . ?
C11 Pd1 Pd2 75.38(19) . . ?
C11 Pd1 C5 138.5(3) . . ?
C11 Pd1 C10 38.1(2) . . ?
Pd1 Pd2 Pt1 60.797(15) . . ?
N2 Pd2 Pt1 155.79(18) . . ?
N2 Pd2 Pd1 140.95(17) . . ?
N2 Pd2 C12 102.1(2) . . ?
N2 Pd2 C14 114.0(2) . . ?
C6 Pd2 Pt1 91.36(19) . . ?
C6 Pd2 Pd1 73.2(2) . . ?
C6 Pd2 N2 87.9(3) . . ?
C6 Pd2 C12 132.5(3) . . ?
C6 Pd2 C14 152.7(2) . . ?
C7 Pd2 Pt1 74.00(17) . . ?
C7 Pd2 Pd1 94.08(19) . . ?
C7 Pd2 N2 91.0(2) . . ?
C7 Pd2 C6 38.1(3) . . ?
C7 Pd2 C12 164.2(3) . . ?
C7 Pd2 C14 121.2(2) . . ?
C12 Pd2 Pt1 96.13(16) . . ?
C12 Pd2 Pd1 70.16(17) . . ?
C12 Pd2 C14 61.2(2) . . ?
C13 Pd2 Pt1 89.61(18) . . ?
C13 Pd2 Pd1 97.55(19) . . ?
C13 Pd2 N2 95.8(2) . . ?
C13 Pd2 C6 168.7(3) . . ?
C13 Pd2 C7 151.9(3) . . ?
C13 Pd2 C12 36.2(3) . . ?
C13 Pd2 C14 32.2(2) . . ?
C14 Pd2 Pt1 61.85(15) . . ?
C14 Pd2 Pd1 96.06(16) . . ?
Pd4 Pd3 Pt2 62.466(16) . . ?
N3 Pd3 Pt2 147.68(17) . . ?
N3 Pd3 Pd4 149.39(17) . . ?
N3 Pd3 C21 92.9(3) . . ?
N3 Pd3 C27 100.6(3) . . ?
C20 Pd3 Pt2 94.16(19) . . ?
C20 Pd3 Pd4 78.5(2) . . ?
C20 Pd3 N3 90.6(3) . . ?
C20 Pd3 C21 38.0(3) . . ?
C20 Pd3 C27 143.6(3) . . ?
C20 Pd3 C28 173.2(3) . . ?
C21 Pd3 Pt2 72.3(2) . . ?
C21 Pd3 Pd4 95.48(19) . . ?
C21 Pd3 C27 166.2(3) . . ?
C27 Pd3 Pt2 94.4(2) . . ?
C27 Pd3 Pd4 74.4(2) . . ?
C28 Pd3 Pt2 79.0(3) . . ?
C28 Pd3 Pd4 98.1(2) . . ?
C28 Pd3 N3 95.2(3) . . ?
C28 Pd3 C21 137.7(3) . . ?
C28 Pd3 C27 38.4(3) . . ?
Pd3 Pd4 Pt2 60.721(16) . . ?
N4 Pd4 Pt2 142.64(18) . . ?
N4 Pd4 Pd3 156.62(18) . . ?
N4 Pd4 C19 103.6(3) . . ?
N4 Pd4 C26 101.4(3) . . ?
C18 Pd4 Pt2 86.9(2) . . ?
C18 Pd4 Pd3 94.8(2) . . ?
C18 Pd4 N4 88.8(3) . . ?
C18 Pd4 C19 35.6(3) . . ?
C18 Pd4 C26 164.4(3) . . ?
C19 Pd4 Pt2 94.06(19) . . ?
C19 Pd4 Pd3 68.40(19) . . ?
C25 Pd4 Pt2 77.4(2) . . ?
C25 Pd4 Pd3 94.6(2) . . ?
C25 Pd4 N4 91.8(3) . . ?
C25 Pd4 C18 154.7(3) . . ?
C25 Pd4 C19 163.0(3) . . ?
C25 Pd4 C26 38.1(3) . . ?
C26 Pd4 Pt2 91.83(19) . . ?
C26 Pd4 Pd3 71.2(2) . . ?
C26 Pd4 C19 129.3(3) . . ?
C29 N1 Pd1 168.5(6) . . ?
C31 N2 Pd2 154.1(6) . . ?
C33 N3 Pd3 168.7(6) . . ?
C35 N4 Pd4 160.5(6) . . ?
Pt1 C1 H1 97.9 . . ?
C2 C1 Pt1 65.4(4) . . ?
C2 C1 H1 115.9 . . ?
C7 C1 Pt1 107.2(4) . . ?
C7 C1 H1 115.9 . . ?
C7 C1 C2 128.1(7) . . ?
Pt1 C2 H2 102.5 . . ?
C1 C2 Pt1 77.5(4) . . ?
C1 C2 H2 115.8 . . ?
C3 C2 Pt1 91.7(5) . . ?
C3 C2 C1 128.4(7) . . ?
C3 C2 H2 115.8 . . ?
Pt1 C3 H3 107.7 . . ?
C2 C3 Pt1 55.6(4) . . ?
C2 C3 H3 115.8 . . ?
C4 C3 Pt1 107.5(5) . . ?
C4 C3 C2 128.4(7) . . ?
C4 C3 H3 115.8 . . ?
Pd1 C4 H4 95.3 . . ?
C3 C4 Pd1 101.5(5) . . ?
C3 C4 H4 115.2 . . ?
C3 C4 C5 129.6(7) . . ?
C5 C4 Pd1 73.8(4) . . ?
C5 C4 H4 115.2 . . ?
Pd1 C5 H5 97.2 . . ?
C4 C5 Pd1 68.6(4) . . ?
C4 C5 H5 116.3 . . ?
C6 C5 Pd1 104.6(4) . . ?
C6 C5 C4 127.5(7) . . ?
C6 C5 H5 116.3 . . ?
Pd2 C6 H6 91.0 . . ?
C5 C6 Pd2 108.9(5) . . ?
C5 C6 H6 115.6 . . ?
C5 C6 C7 128.9(7) . . ?
C7 C6 Pd2 70.1(4) . . ?
C7 C6 H6 115.6 . . ?
Pd2 C7 H7 90.4 . . ?
C1 C7 Pd2 107.9(4) . . ?
C1 C7 C6 128.4(7) . . ?
C1 C7 H7 115.8 . . ?
C6 C7 Pd2 71.8(4) . . ?
C6 C7 H7 115.8 . . ?
Pt1 C8 H8 95.0 . . ?
C9 C8 Pt1 74.3(4) . . ?
C9 C8 H8 116.8 . . ?
C9 C8 C14 126.5(6) . . ?
C14 C8 Pt1 101.1(5) . . ?
C14 C8 H8 116.8 . . ?
Pt1 C9 H9 94.3 . . ?
C8 C9 Pt1 67.5(4) . . ?
C8 C9 H9 115.4 . . ?
C10 C9 Pt1 108.5(4) . . ?
C10 C9 C8 129.2(6) . . ?
C10 C9 H9 115.4 . . ?
Pd1 C10 H10 91.7 . . ?
C9 C10 Pd1 107.6(4) . . ?
C9 C10 H10 116.1 . . ?
C9 C10 C11 127.8(7) . . ?
C11 C10 Pd1 70.8(4) . . ?
C11 C10 H10 116.1 . . ?
Pd1 C11 H11 92.8 . . ?
C10 C11 Pd1 71.1(4) . . ?
C10 C11 H11 115.6 . . ?
C12 C11 Pd1 106.4(5) . . ?
C12 C11 C10 128.8(7) . . ?
C12 C11 H11 115.6 . . ?
Pd2 C12 H12 99.5 . . ?
C11 C12 Pd2 106.1(4) . . ?
C11 C12 H12 115.7 . . ?
C11 C12 C13 128.6(6) . . ?
C13 C12 Pd2 65.2(4) . . ?
C13 C12 H12 115.7 . . ?
Pd2 C13 H13 101.3 . . ?
C12 C13 Pd2 78.6(4) . . ?
C12 C13 H13 115.3 . . ?
C14 C13 Pd2 91.7(4) . . ?
C14 C13 C12 129.4(6) . . ?
C14 C13 H13 115.3 . . ?
Pd2 C14 H14 107.8 . . ?
C8 C14 Pd2 107.2(4) . . ?
C8 C14 H14 115.4 . . ?
C13 C14 Pd2 56.1(4) . . ?
C13 C14 C8 129.3(7) . . ?
C13 C14 H14 115.4 . . ?
Pt2 C15 H15 93.9 . . ?
C16 C15 Pt2 67.6(4) . . ?
C16 C15 H15 115.9 . . ?
C21 C15 Pt2 108.7(5) . . ?
C21 C15 H15 115.9 . . ?
C21 C15 C16 128.2(7) . . ?
Pt2 C16 H16 96.0 . . ?
C15 C16 Pt2 74.7(4) . . ?
C15 C16 H16 116.7 . . ?
C15 C16 C17 126.6(7) . . ?
C17 C16 Pt2 99.8(5) . . ?
C17 C16 H16 116.7 . . ?
C16 C17 H17 114.5 . . ?
C18 C17 C16 130.9(8) . . ?
C18 C17 H17 114.5 . . ?
Pd4 C18 H18 98.9 . . ?
C17 C18 Pd4 94.2(5) . . ?
C17 C18 H18 115.7 . . ?
C17 C18 C19 128.7(7) . . ?
C19 C18 Pd4 78.1(4) . . ?
C19 C18 H18 115.7 . . ?
Pd4 C19 H19 95.7 . . ?
C18 C19 Pd4 66.4(4) . . ?
C18 C19 H19 116.1 . . ?
C18 C19 C20 127.8(7) . . ?
C20 C19 Pd4 108.3(5) . . ?
C20 C19 H19 116.1 . . ?
Pd3 C20 H20 94.7 . . ?
C19 C20 Pd3 102.9(5) . . ?
C19 C20 H20 116.1 . . ?
C19 C20 C21 127.8(7) . . ?
C21 C20 Pd3 72.8(4) . . ?
C21 C20 H20 116.1 . . ?
Pd3 C21 H21 93.4 . . ?
C15 C21 Pd3 107.7(5) . . ?
C15 C21 C20 129.3(7) . . ?
C15 C21 H21 115.4 . . ?
C20 C21 Pd3 69.3(4) . . ?
C20 C21 H21 115.4 . . ?
Pt2 C22 H22 100.3 . . ?
C23 C22 Pt2 60.6(5) . . ?
C23 C22 H22 114.9 . . ?
C23 C22 C28 130.2(8) . . ?
C28 C22 Pt2 109.9(6) . . ?
C28 C22 H22 114.9 . . ?
Pt2 C23 H23 99.5 . . ?
C22 C23 Pt2 84.7(5) . . ?
C22 C23 H23 116.4 . . ?
C24 C23 Pt2 86.9(5) . . ?
C24 C23 C22 127.2(8) . . ?
C24 C23 H23 116.4 . . ?
Pt2 C24 H24 105.1 . . ?
C23 C24 Pt2 59.2(5) . . ?
C23 C24 H24 114.9 . . ?
C23 C24 C25 130.2(8) . . ?
C25 C24 Pt2 107.0(5) . . ?
C25 C24 H24 114.9 . . ?
Pd4 C25 H25 90.6 . . ?
C24 C25 Pd4 106.4(5) . . ?
C24 C25 H25 116.4 . . ?
C24 C25 C26 127.2(7) . . ?
C26 C25 Pd4 73.0(4) . . ?
C26 C25 H25 116.4 . . ?
Pd4 C26 H26 92.2 . . ?
C25 C26 Pd4 68.8(4) . . ?
C25 C26 H26 115.5 . . ?
C27 C26 Pd4 109.1(5) . . ?
C27 C26 C25 129.0(7) . . ?
C27 C26 H26 115.5 . . ?
Pd3 C27 H27 96.0 . . ?
C26 C27 Pd3 105.3(5) . . ?
C26 C27 H27 116.0 . . ?
C26 C27 C28 128.1(7) . . ?
C28 C27 Pd3 69.1(5) . . ?
C28 C27 H27 116.0 . . ?
Pd3 C28 H28 95.1 . . ?
C22 C28 Pd3 102.9(6) . . ?
C22 C28 C27 127.6(8) . . ?
C22 C28 H28 116.2 . . ?
C27 C28 Pd3 72.4(5) . . ?
C27 C28 H28 116.2 . . ?
N1 C29 C30 179.4(9) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N2 C31 C32 178.9(9) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N3 C33 C34 178.2(9) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N4 C35 C36 178.5(9) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
F2 B1 F1 110.0(7) . . ?
F2 B1 F4 110.3(8) . . ?
F3 B1 F1 109.5(8) . . ?
F3 B1 F2 110.5(7) . . ?
F3 B1 F4 108.4(7) . . ?
F4 B1 F1 108.1(7) . . ?
F5 B2 F6 110.4(8) . . ?
F5 B2 F7 110.1(7) . . ?
F5 B2 F8 109.3(7) . . ?
F6 B2 F7 108.8(7) . . ?
F6 B2 F8 109.6(6) . . ?
F7 B2 F8 108.6(7) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 C1 C2 C3 -82.1(7) . . . . ?
Pt1 C1 C7 Pd2 -14.2(6) . . . . ?
Pt1 C1 C7 C6 66.4(8) . . . . ?
Pt1 C2 C3 C4 -85.6(8) . . . . ?
Pt1 C3 C4 Pd1 23.4(5) . . . . ?
Pt1 C3 C4 C5 -55.1(9) . . . . ?
Pt1 C8 C9 C10 96.1(7) . . . . ?
Pt1 C8 C14 Pd2 -24.6(5) . . . . ?
Pt1 C8 C14 C13 -84.5(8) . . . . ?
Pt1 C9 C10 Pd1 -5.1(5) . . . . ?
Pt1 C9 C10 C11 73.9(8) . . . . ?
Pt2 C15 C16 C17 -90.9(8) . . . . ?
Pt2 C15 C21 Pd3 -5.1(6) . . . . ?
Pt2 C15 C21 C20 72.2(9) . . . . ?
Pt2 C16 C17 C18 -83.6(9) . . . . ?
Pt2 C22 C23 C24 82.0(8) . . . . ?
Pt2 C22 C28 Pd3 16.9(7) . . . . ?
Pt2 C22 C28 C27 -60.7(10) . . . . ?
Pt2 C23 C24 C25 86.7(9) . . . . ?
Pt2 C24 C25 Pd4 -17.5(6) . . . . ?
Pt2 C24 C25 C26 63.4(9) . . . . ?
Pd1 C4 C5 C6 -92.4(7) . . . . ?
Pd1 C5 C6 Pd2 6.2(5) . . . . ?
Pd1 C5 C6 C7 -73.1(8) . . . . ?
Pd1 C10 C11 C12 96.2(7) . . . . ?
Pd1 C11 C12 Pd2 13.6(5) . . . . ?
Pd1 C11 C12 C13 84.4(7) . . . . ?
Pd2 C6 C7 C1 -98.7(7) . . . . ?
Pd2 C12 C13 C14 82.8(7) . . . . ?
Pd2 C13 C14 C8 84.9(7) . . . . ?
Pd3 C20 C21 C15 -96.3(8) . . . . ?
Pd3 C27 C28 C22 93.0(9) . . . . ?
Pd4 C18 C19 C20 -95.4(8) . . . . ?
Pd4 C19 C20 Pd3 13.3(5) . . . . ?
Pd4 C19 C20 C21 -64.8(9) . . . . ?
Pd4 C25 C26 C27 98.0(8) . . . . ?
Pd4 C26 C27 Pd3 0.7(6) . . . . ?
Pd4 C26 C27 C28 75.9(9) . . . . ?
C1 C2 C3 Pt1 75.3(7) . . . . ?
C1 C2 C3 C4 -10.3(13) . . . . ?
C2 C1 C7 Pd2 -86.1(8) . . . . ?
C2 C1 C7 C6 -5.5(12) . . . . ?
C2 C3 C4 Pd1 83.0(8) . . . . ?
C2 C3 C4 C5 4.6(13) . . . . ?
C3 C4 C5 Pd1 91.7(8) . . . . ?
C3 C4 C5 C6 -0.7(13) . . . . ?
C4 C5 C6 Pd2 80.3(8) . . . . ?
C4 C5 C6 C7 1.0(12) . . . . ?
C5 C6 C7 Pd2 98.7(7) . . . . ?
C5 C6 C7 C1 0.0(12) . . . . ?
C7 C1 C2 Pt1 93.1(7) . . . . ?
C7 C1 C2 C3 11.1(12) . . . . ?
C8 C9 C10 Pd1 -80.8(7) . . . . ?
C8 C9 C10 C11 -1.8(12) . . . . ?
C9 C8 C14 Pd2 54.0(8) . . . . ?
C9 C8 C14 C13 -5.9(12) . . . . ?
C9 C10 C11 Pd1 -97.7(7) . . . . ?
C9 C10 C11 C12 -1.6(12) . . . . ?
C10 C11 C12 Pd2 -65.1(8) . . . . ?
C10 C11 C12 C13 5.7(12) . . . . ?
C11 C12 C13 Pd2 -91.2(7) . . . . ?
C11 C12 C13 C14 -8.5(12) . . . . ?
C12 C13 C14 Pd2 -76.7(7) . . . . ?
C12 C13 C14 C8 8.2(12) . . . . ?
C14 C8 C9 Pt1 -92.3(7) . . . . ?
C14 C8 C9 C10 3.8(12) . . . . ?
C15 C16 C17 C18 -5.4(13) . . . . ?
C16 C15 C21 Pd3 -81.0(8) . . . . ?
C16 C15 C21 C20 -3.7(13) . . . . ?
C16 C17 C18 Pd4 84.9(9) . . . . ?
C16 C17 C18 C19 6.8(14) . . . . ?
C17 C18 C19 Pd4 85.8(8) . . . . ?
C17 C18 C19 C20 -9.6(14) . . . . ?
C18 C19 C20 Pd3 87.1(8) . . . . ?
C18 C19 C20 C21 9.0(13) . . . . ?
C19 C20 C21 Pd3 93.2(8) . . . . ?
C19 C20 C21 C15 -3.1(13) . . . . ?
C21 C15 C16 Pt2 96.8(7) . . . . ?
C21 C15 C16 C17 5.9(13) . . . . ?
C22 C23 C24 Pt2 -81.0(8) . . . . ?
C22 C23 C24 C25 5.7(15) . . . . ?
C23 C22 C28 Pd3 84.7(10) . . . . ?
C23 C22 C28 C27 7.1(15) . . . . ?
C23 C24 C25 Pd4 -81.3(9) . . . . ?
C23 C24 C25 C26 -0.4(14) . . . . ?
C24 C25 C26 Pd4 -98.0(8) . . . . ?
C24 C25 C26 C27 -0.1(14) . . . . ?
C25 C26 C27 Pd3 -77.1(9) . . . . ?
C25 C26 C27 C28 -1.9(14) . . . . ?
C26 C27 C28 Pd3 -93.5(8) . . . . ?
C26 C27 C28 C22 -0.5(14) . . . . ?
C28 C22 C23 Pt2 -92.1(9) . . . . ?
C28 C22 C23 C24 -10.0(15) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.500 0.000 1.000 202.3 44.4 '2 CH3CN'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_PdPt2-dimer-PhCCPh
_database_code_depnum_ccdc_archive 'CCDC 2094331'
loop_
_audit_author_name
_audit_author_address
'Koji Yamamoto'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2021-07-05 deposited with the CCDC.	2021-08-09 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C71 H63 B2 F8 Pd2 Pt4'
_chemical_formula_moiety         'C71 H63 B2 F8 Pd2 Pt4'
_chemical_formula_weight         2083.05
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   12.7384(3)
_cell_length_b                   15.0444(4)
_cell_length_c                   16.3890(4)
_cell_angle_alpha                89.1192(7)
_cell_angle_beta                 80.0982(7)
_cell_angle_gamma                75.3532(7)
_cell_volume                     2992.19(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    56192
_cell_measurement_theta_min      3.04
_cell_measurement_theta_max      27.48
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.060
_exptl_crystal_density_diffrn    2.312
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1950.00
_exptl_absorpt_coefficient_mu    9.936
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.388
_exptl_absorpt_correction_T_max  0.551

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            71514
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         3.038
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             13682
_reflns_number_gt                12530
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0257
_refine_ls_wR_factor_ref         0.0643
_refine_ls_wR_factor_gt          0.0629
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         13682
_refine_ls_number_parameters     784
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0208P)²+10.2973P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.003
_refine_diff_density_max         2.48
_refine_diff_density_min         -1.63
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.74337(2) 0.31175(2) 0.89479(2) 0.01690(4) Uani 1 1 d . . . . .
Pt2 Pt 0.73591(2) 0.16146(2) 0.99537(2) 0.01960(4) Uani 1 1 d . . . . .
Pt3 Pt 0.71616(2) 0.40741(2) 0.75638(2) 0.01673(4) Uani 1 1 d . . . . .
Pt4 Pt 0.75631(2) 0.46626(2) 0.59421(2) 0.01708(4) Uani 1 1 d . . . . .
Pd1 Pd 0.82068(3) 0.29511(2) 1.04915(2) 0.01619(7) Uani 1 1 d . . . . .
Pd2 Pd 0.56476(3) 0.55004(2) 0.69090(2) 0.01762(7) Uani 1 1 d . . . . .
F1 F 0.6828(3) 0.5940(2) 1.11586(19) 0.0351(7) Uani 1 1 d . . . . .
F2 F 0.8204(3) 0.6604(4) 1.0690(2) 0.0758(15) Uani 1 1 d . . . . .
F3 F 0.6937(3) 0.6536(3) 0.9882(2) 0.0494(9) Uani 1 1 d . . . . .
F4 F 0.6463(4) 0.7473(2) 1.1031(3) 0.0615(11) Uani 1 1 d . . . . .
F5 F 0.4066(3) 0.7889(2) 0.69444(19) 0.0402(8) Uani 1 1 d . . . . .
F6 F 0.3807(2) 0.64621(19) 0.68038(18) 0.0301(6) Uani 1 1 d . . . . .
F7 F 0.4399(3) 0.7208(2) 0.56674(19) 0.0402(7) Uani 1 1 d . . . . .
F8 F 0.2635(3) 0.7700(2) 0.6353(2) 0.0485(9) Uani 1 1 d . . . . .
C1 C 0.5871(4) 0.3982(3) 0.9510(3) 0.0239(9) Uani 1 1 d . . . . .
H1 H 0.5668 0.4384 0.9078 0.029 Uiso 1 1 calc R U . . .
C2 C 0.6358(4) 0.4318(3) 1.0102(3) 0.0277(10) Uani 1 1 d . . . . .
H2 H 0.6544 0.4884 0.9977 0.033 Uiso 1 1 calc R U . . .
C3 C 0.6612(4) 0.3936(3) 1.0859(3) 0.0250(10) Uani 1 1 d . . . . .
H3 H 0.6901 0.4301 1.1186 0.030 Uiso 1 1 calc R U . . .
C4 C 0.6499(4) 0.3080(3) 1.1205(3) 0.0234(9) Uani 1 1 d . . . . .
H4 H 0.6770 0.2930 1.1708 0.028 Uiso 1 1 calc R U . . .
C5 C 0.6023(4) 0.2421(3) 1.0883(3) 0.0226(9) Uani 1 1 d . . . . .
H5 H 0.5962 0.1911 1.1220 0.027 Uiso 1 1 calc R U . . .
C6 C 0.5634(4) 0.2440(3) 1.0121(3) 0.0215(9) Uani 1 1 d . . . . .
H6 H 0.5324 0.1950 1.0019 0.026 Uiso 1 1 calc R U . . .
C7 C 0.5647(3) 0.3104(3) 0.9486(3) 0.0216(9) Uani 1 1 d . . . . .
H7 H 0.5484 0.2933 0.8976 0.026 Uiso 1 1 calc R U . . .
C8 C 0.9142(4) 0.2669(3) 0.8393(3) 0.0312(11) Uani 1 1 d . . . . .
H8 H 0.9139 0.3065 0.7935 0.037 Uiso 1 1 calc R U . . .
C9 C 0.9623(4) 0.2895(3) 0.9050(4) 0.0338(12) Uani 1 1 d . . . . .
H9 H 0.9833 0.3459 0.8998 0.041 Uiso 1 1 calc R U . . .
C10 C 0.9837(4) 0.2419(4) 0.9764(3) 0.0341(12) Uani 1 1 d . . . . .
H10 H 1.0213 0.2681 1.0110 0.041 Uiso 1 1 calc R U . . .
C11 C 0.9563(4) 0.1590(4) 1.0042(3) 0.0280(10) Uani 1 1 d . . . . .
H11 H 0.9689 0.1412 1.0582 0.034 Uiso 1 1 calc R U . . .
C12 C 0.9125(4) 0.0996(3) 0.9611(3) 0.0256(10) Uani 1 1 d . . . . .
H12 H 0.9121 0.0421 0.9857 0.031 Uiso 1 1 calc R U . . .
C13 C 0.8695(4) 0.1143(3) 0.8865(3) 0.0244(10) Uani 1 1 d . . . . .
H13 H 0.8393 0.0674 0.8697 0.029 Uiso 1 1 calc R U . . .
C14 C 0.8656(4) 0.1916(4) 0.8331(3) 0.0278(10) Uani 1 1 d . . . . .
H14 H 0.8264 0.1927 0.7886 0.033 Uiso 1 1 calc R U . . .
C15 C 0.6322(4) 0.3051(3) 0.7296(3) 0.0199(9) Uani 1 1 d . . . . .
H15 H 0.6424 0.2613 0.7717 0.024 Uiso 1 1 calc R U . . .
C16 C 0.7202(4) 0.2951(3) 0.6608(3) 0.0212(9) Uani 1 1 d . . . . .
H16 H 0.7897 0.2584 0.6695 0.025 Uiso 1 1 calc R U . . .
C17 C 0.7173(4) 0.3330(3) 0.5804(3) 0.0218(9) Uani 1 1 d . . . . .
H17 H 0.7796 0.3076 0.5391 0.026 Uiso 1 1 calc R U . . .
C18 C 0.6334(4) 0.4039(3) 0.5538(3) 0.0215(9) Uani 1 1 d . . . . .
H18 H 0.6459 0.4189 0.4970 0.026 Uiso 1 1 calc R U . . .
C19 C 0.5325(4) 0.4552(3) 0.6028(3) 0.0221(9) Uani 1 1 d . . . . .
H19 H 0.4915 0.5061 0.5770 0.026 Uiso 1 1 calc R U . . .
C20 C 0.4858(4) 0.4390(3) 0.6861(3) 0.0221(9) Uani 1 1 d . . . . .
H20 H 0.4147 0.4773 0.7067 0.027 Uiso 1 1 calc R U . . .
C21 C 0.5318(4) 0.3733(3) 0.7415(3) 0.0230(9) Uani 1 1 d . . . . .
H21 H 0.4881 0.3757 0.7950 0.028 Uiso 1 1 calc R U . . .
C22 C 0.7525(4) 0.5204(3) 0.8153(3) 0.0230(9) Uani 1 1 d . . . . .
H22 H 0.7603 0.4909 0.8664 0.028 Uiso 1 1 calc R U . . .
C23 C 0.8407(4) 0.4886(3) 0.7469(3) 0.0228(9) Uani 1 1 d . . . . .
H23 H 0.8963 0.4362 0.7568 0.027 Uiso 1 1 calc R U . . .
C24 C 0.8566(4) 0.5255(3) 0.6651(3) 0.0216(9) Uani 1 1 d . . . . .
H24 H 0.9241 0.4980 0.6297 0.026 Uiso 1 1 calc R U . . .
C25 C 0.7828(4) 0.5986(3) 0.6309(3) 0.0203(9) Uani 1 1 d . . . . .
H25 H 0.8087 0.6149 0.5763 0.024 Uiso 1 1 calc R U . . .
C26 C 0.6757(4) 0.6500(3) 0.6679(3) 0.0235(9) Uani 1 1 d . . . . .
H26 H 0.6347 0.6892 0.6322 0.028 Uiso 1 1 calc R U . . .
C27 C 0.6222(4) 0.6503(3) 0.7518(3) 0.0238(9) Uani 1 1 d . . . . .
H27 H 0.5558 0.6969 0.7668 0.029 Uiso 1 1 calc R U . . .
C28 C 0.6535(4) 0.5920(3) 0.8147(3) 0.0225(9) Uani 1 1 d . . . . .
H28 H 0.6017 0.6007 0.8649 0.027 Uiso 1 1 calc R U . . .
C29 C 0.6849(4) 0.0338(3) 0.9924(3) 0.0243(10) Uani 1 1 d . . . . .
C30 C 0.7241(4) 0.0344(3) 1.0571(3) 0.0257(10) Uani 1 1 d . . . . .
C31 C 0.7645(4) 0.0010(3) 1.1315(3) 0.0244(9) Uani 1 1 d . . . . .
C32 C 0.7878(5) 0.0586(3) 1.1875(3) 0.0324(11) Uani 1 1 d . . . . .
H32 H 0.7769 0.1222 1.1766 0.039 Uiso 1 1 calc R U . . .
C33 C 0.8267(5) 0.0250(4) 1.2592(4) 0.0386(13) Uani 1 1 d . . . . .
H33 H 0.8404 0.0654 1.2977 0.046 Uiso 1 1 calc R U . . .
C34 C 0.8453(4) -0.0688(4) 1.2737(3) 0.0358(12) Uani 1 1 d . . . . .
H34 H 0.8735 -0.0929 1.3218 0.043 Uiso 1 1 calc R U . . .
C35 C 0.8229(4) -0.1265(4) 1.2188(4) 0.0352(12) Uani 1 1 d . . . . .
H35 H 0.8356 -0.1903 1.2293 0.042 Uiso 1 1 calc R U . . .
C36 C 0.7822(4) -0.0933(3) 1.1482(3) 0.0286(10) Uani 1 1 d . . . . .
H36 H 0.7662 -0.1339 1.1111 0.034 Uiso 1 1 calc R U . . .
C37 C 0.6390(4) -0.0034(3) 0.9284(3) 0.0249(10) Uani 1 1 d . . . . .
C38 C 0.6638(4) -0.0986(3) 0.9179(3) 0.0321(11) Uani 1 1 d . . . . .
H38 H 0.7072 -0.1370 0.9528 0.038 Uiso 1 1 calc R U . . .
C39 C 0.6254(5) -0.1376(4) 0.8569(4) 0.0390(13) Uani 1 1 d . . . . .
H39 H 0.6432 -0.2025 0.8495 0.047 Uiso 1 1 calc R U . . .
C40 C 0.5609(5) -0.0820(4) 0.8064(3) 0.0377(13) Uani 1 1 d . . . . .
H40 H 0.5355 -0.1087 0.7639 0.045 Uiso 1 1 calc R U . . .
C41 C 0.5337(5) 0.0121(4) 0.8180(3) 0.0370(12) Uani 1 1 d . . . . .
H41 H 0.4875 0.0501 0.7846 0.044 Uiso 1 1 calc R U . . .
C42 C 0.5737(5) 0.0521(4) 0.8784(3) 0.0340(12) Uani 1 1 d . . . . .
H42 H 0.5561 0.1170 0.8853 0.041 Uiso 1 1 calc R U . . .
C43 C 0.8196(4) 0.4882(3) 0.4662(3) 0.0214(9) Uani 1 1 d . . . . .
C44 C 0.8879(4) 0.4218(3) 0.4895(3) 0.0211(9) Uani 1 1 d . . . . .
C45 C 0.9799(4) 0.3403(3) 0.4834(3) 0.0209(9) Uani 1 1 d . . . . .
C46 C 1.0357(4) 0.3133(3) 0.5488(3) 0.0259(10) Uani 1 1 d . . . . .
H46 H 1.0122 0.3471 0.6000 0.031 Uiso 1 1 calc R U . . .
C47 C 1.1254(4) 0.2373(3) 0.5400(3) 0.0299(11) Uani 1 1 d . . . . .
H47 H 1.1653 0.2210 0.5842 0.036 Uiso 1 1 calc R U . . .
C48 C 1.1573(4) 0.1846(3) 0.4663(4) 0.0338(12) Uani 1 1 d . . . . .
H48 H 1.2176 0.1316 0.4606 0.041 Uiso 1 1 calc R U . . .
C49 C 1.0997(5) 0.2106(4) 0.4012(4) 0.0364(12) Uani 1 1 d . . . . .
H49 H 1.1205 0.1749 0.3510 0.044 Uiso 1 1 calc R U . . .
C50 C 1.0125(4) 0.2881(3) 0.4093(3) 0.0288(10) Uani 1 1 d . . . . .
H50 H 0.9745 0.3060 0.3643 0.035 Uiso 1 1 calc R U . . .
C51 C 0.7739(4) 0.5585(3) 0.4117(3) 0.0196(9) Uani 1 1 d . . . . .
C52 C 0.8278(4) 0.5579(3) 0.3296(3) 0.0252(10) Uani 1 1 d . . . . .
H52 H 0.8919 0.5104 0.3100 0.030 Uiso 1 1 calc R U . . .
C53 C 0.7885(4) 0.6261(4) 0.2769(3) 0.0304(11) Uani 1 1 d . . . . .
H53 H 0.8265 0.6262 0.2217 0.036 Uiso 1 1 calc R U . . .
C54 C 0.6926(5) 0.6953(3) 0.3050(3) 0.0319(12) Uani 1 1 d . . . . .
H54 H 0.6652 0.7422 0.2690 0.038 Uiso 1 1 calc R U . . .
C55 C 0.6379(4) 0.6947(3) 0.3857(3) 0.0288(10) Uani 1 1 d . . . . .
H55 H 0.5726 0.7412 0.4046 0.035 Uiso 1 1 calc R U . . .
C56 C 0.6774(4) 0.6270(3) 0.4394(3) 0.0237(9) Uani 1 1 d . . . . .
H56 H 0.6391 0.6273 0.4946 0.028 Uiso 1 1 calc R U . . .
C57 C 0.8719(5) 0.3412(5) 1.1874(4) 0.0419(14) Uani 1 1 d . . . . .
H57 H 0.7950 0.3497 1.2054 0.050 Uiso 1 1 calc R U . . .
C58 C 0.9107(5) 0.4081(4) 1.1409(4) 0.0426(14) Uani 1 1 d . . . . .
H58 H 0.8602 0.4615 1.1264 0.051 Uiso 1 1 calc R U . . .
C59 C 1.0231(5) 0.3967(4) 1.1158(4) 0.0408(13) Uani 1 1 d . . . . .
H59 H 1.0496 0.4424 1.0840 0.049 Uiso 1 1 calc R U . . .
C60 C 1.0962(5) 0.3192(4) 1.1369(3) 0.0407(13) Uani 1 1 d . . . . .
H60 H 1.1732 0.3123 1.1210 0.049 Uiso 1 1 calc R U . . .
C61 C 1.0580(5) 0.2513(5) 1.1810(4) 0.0432(14) Uani 1 1 d . . . . .
H61 H 1.1088 0.1969 1.1934 0.052 Uiso 1 1 calc R U . . .
C62 C 0.9452(5) 0.2619(5) 1.2075(4) 0.0451(15) Uani 1 1 d . . . . .
H62 H 0.9190 0.2158 1.2388 0.054 Uiso 1 1 calc R U . . .
C63 C 0.7086(5) 0.0613(4) 0.6192(4) 0.0461(15) Uani 1 1 d . . . . .
H63 H 0.6342 0.0579 0.6327 0.055 Uiso 1 1 calc R U . . .
C64 C 0.7800(5) 0.0315(4) 0.6747(4) 0.0424(14) Uani 1 1 d . . . . .
H64 H 0.7551 0.0066 0.7259 0.051 Uiso 1 1 calc R U . . .
C65 C 0.8874(5) 0.0382(4) 0.6553(4) 0.0389(13) Uani 1 1 d . . . . .
H65 H 0.9364 0.0188 0.6934 0.047 Uiso 1 1 calc R U . . .
C66 C 0.9234(5) 0.0730(4) 0.5807(4) 0.0436(14) Uani 1 1 d . . . . .
H66 H 0.9974 0.0774 0.5672 0.052 Uiso 1 1 calc R U . . .
C67 C 0.8520(6) 0.1017(4) 0.5255(4) 0.0460(15) Uani 1 1 d . . . . .
H67 H 0.8776 0.1256 0.4740 0.055 Uiso 1 1 calc R U . . .
C68 C 0.7458(6) 0.0964(4) 0.5436(4) 0.0462(15) Uani 1 1 d . . . . .
H69 H 0.6973 0.1164 0.5052 0.055 Uiso 1 1 calc R U . . .
C69 C 0.5811(5) 0.9407(4) 0.4458(4) 0.0430(14) Uani 1 1 d . . . . .
H69A H 0.6370 0.8993 0.4087 0.052 Uiso 1 1 calc R U . . .
C70 C 0.5336(5) 0.9093(4) 0.5196(4) 0.0442(15) Uani 1 1 d . . . . .
H70 H 0.5573 0.8465 0.5329 0.053 Uiso 1 1 calc R U . . .
C71 C 0.4524(5) 0.9687(4) 0.5737(4) 0.0435(14) Uani 1 1 d . . . . .
H71 H 0.4198 0.9471 0.6242 0.052 Uiso 1 1 calc R U . . .
B1 B 0.7123(5) 0.6642(4) 1.0687(4) 0.0330(13) Uani 1 1 d . . . . .
B2 B 0.3718(5) 0.7336(4) 0.6430(4) 0.0288(12) Uani 1 1 d . . . . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2015)'
_computing_molecular_graphics    'CrystalStructure 4.2'

#==============================================================================
# MOLECULAR GEOMETRY

_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 2.145(4) . ?
Pt1 C8 2.148(5) . ?
Pt1 C14 2.192(5) . ?
Pt1 C7 2.300(4) . ?
Pt1 C2 2.585(5) . ?
Pt1 Pt3 2.6935(2) . ?
Pt1 Pt2 2.7891(2) . ?
Pt1 Pd1 2.8540(3) . ?
Pt2 C30 2.176(5) . ?
Pt2 C29 2.182(4) . ?
Pt2 C12 2.183(5) . ?
Pt2 C5 2.193(5) . ?
Pt2 C6 2.207(4) . ?
Pt2 C13 2.228(5) . ?
Pt2 Pd1 2.7324(4) . ?
Pt3 C22 2.153(4) . ?
Pt3 C15 2.173(4) . ?
Pt3 C23 2.219(4) . ?
Pt3 C16 2.308(4) . ?
Pt3 C21 2.579(4) . ?
Pt3 Pt4 2.7925(2) . ?
Pt3 Pd2 2.8325(4) . ?
Pt4 C44 2.163(4) . ?
Pt4 C43 2.167(4) . ?
Pt4 C17 2.208(4) . ?
Pt4 C25 2.210(4) . ?
Pt4 C18 2.211(4) . ?
Pt4 C24 2.212(4) . ?
Pt4 Pd2 2.6889(4) . ?
Pd1 C10 2.170(5) . ?
Pd1 C3 2.184(5) . ?
Pd1 C4 2.249(5) . ?
Pd1 C11 2.354(5) . ?
Pd1 C57 2.612(5) . ?
Pd2 C27 2.159(4) . ?
Pd2 C20 2.166(4) . ?
Pd2 C19 2.204(4) . ?
Pd2 C26 2.297(4) . ?
Pd2 F6 2.457(3) . ?
Pd2 C28 2.643(4) . ?
F1 B1 1.389(6) . ?
F2 B1 1.364(7) . ?
F3 B1 1.398(7) . ?
F4 B1 1.383(8) . ?
F5 B2 1.391(7) . ?
F6 B2 1.429(6) . ?
F7 B2 1.379(7) . ?
F8 B2 1.376(7) . ?
C1 C2 1.402(7) . ?
C1 C7 1.423(6) . ?
C1 H1 0.9500 . ?
C2 C3 1.413(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.430(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.434(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.419(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.432(6) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.413(8) . ?
C8 C14 1.434(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.393(8) . ?
C9 H9 0.9500 . ?
C10 C11 1.426(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.418(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.416(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.440(7) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C21 1.409(7) . ?
C15 C16 1.427(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.430(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.429(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.433(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.435(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.417(6) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.435(7) . ?
C22 C28 1.438(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.446(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.430(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.422(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.426(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.388(7) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.249(7) . ?
C29 C37 1.465(7) . ?
C30 C31 1.438(7) . ?
C31 C32 1.389(7) . ?
C31 C36 1.408(6) . ?
C32 C33 1.393(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.395(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.372(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.383(7) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.387(7) . ?
C37 C38 1.394(7) . ?
C38 C39 1.384(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.387(8) . ?
C39 H39 0.9500 . ?
C40 C41 1.378(8) . ?
C40 H40 0.9500 . ?
C41 C42 1.395(7) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.251(6) . ?
C43 C51 1.446(6) . ?
C44 C45 1.457(6) . ?
C45 C46 1.387(6) . ?
C45 C50 1.397(7) . ?
C46 C47 1.387(7) . ?
C46 H46 0.9500 . ?
C47 C48 1.396(8) . ?
C47 H47 0.9500 . ?
C48 C49 1.392(8) . ?
C48 H48 0.9500 . ?
C49 C50 1.382(7) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C52 1.400(6) . ?
C51 C56 1.401(7) . ?
C52 C53 1.383(7) . ?
C52 H52 0.9500 . ?
C53 C54 1.402(8) . ?
C53 H53 0.9500 . ?
C54 C55 1.385(7) . ?
C54 H54 0.9500 . ?
C55 C56 1.388(6) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C62 1.390(9) . ?
C57 C58 1.391(9) . ?
C57 H57 0.9500 . ?
C58 C59 1.387(8) . ?
C58 H58 0.9500 . ?
C59 C60 1.378(9) . ?
C59 H59 0.9500 . ?
C60 C61 1.383(9) . ?
C60 H60 0.9500 . ?
C61 C62 1.396(8) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C64 1.386(9) . ?
C63 C68 1.394(9) . ?
C63 H63 0.9500 . ?
C64 C65 1.379(8) . ?
C64 H64 0.9500 . ?
C65 C66 1.374(9) . ?
C65 H65 0.9500 . ?
C66 C67 1.380(9) . ?
C66 H66 0.9500 . ?
C67 C68 1.356(9) . ?
C67 H67 0.9500 . ?
C68 H69 0.9500 . ?
C69 C71 1.372(8) 2_676 ?
C69 C70 1.388(9) . ?
C69 H69A 0.9500 . ?
C70 C71 1.377(9) . ?
C70 H70 0.9500 . ?
C71 C69 1.372(8) 2_676 ?
C71 H71 0.9500 . ?

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 161.30(19) . . ?
C1 Pt1 C14 159.83(19) . . ?
C8 Pt1 C14 38.58(19) . . ?
C1 Pt1 C7 37.14(17) . . ?
C8 Pt1 C7 161.56(18) . . ?
C14 Pt1 C7 123.16(18) . . ?
C1 Pt1 C2 32.83(17) . . ?
C8 Pt1 C2 133.43(19) . . ?
C14 Pt1 C2 159.55(17) . . ?
C7 Pt1 C2 61.97(16) . . ?
C1 Pt1 Pt3 86.71(12) . . ?
C8 Pt1 Pt3 86.04(13) . . ?
C14 Pt1 Pt3 96.14(12) . . ?
C7 Pt1 Pt3 101.30(11) . . ?
C2 Pt1 Pt3 102.22(11) . . ?
C1 Pt1 Pt2 96.78(12) . . ?
C8 Pt1 Pt2 97.32(13) . . ?
C14 Pt1 Pt2 72.14(13) . . ?
C7 Pt1 Pt2 68.72(11) . . ?
C2 Pt1 Pt2 94.25(11) . . ?
Pt3 Pt1 Pt2 153.841(8) . . ?
C1 Pt1 Pd1 91.59(13) . . ?
C8 Pt1 Pd1 85.57(15) . . ?
C14 Pt1 Pd1 96.23(12) . . ?
C7 Pt1 Pd1 96.20(11) . . ?
C2 Pt1 Pd1 63.35(11) . . ?
Pt3 Pt1 Pd1 148.156(9) . . ?
Pt2 Pt1 Pd1 57.906(8) . . ?
C30 Pt2 C29 33.32(18) . . ?
C30 Pt2 C12 87.25(18) . . ?
C29 Pt2 C12 96.36(18) . . ?
C30 Pt2 C5 91.29(17) . . ?
C29 Pt2 C5 100.52(17) . . ?
C12 Pt2 C5 146.67(18) . . ?
C30 Pt2 C6 103.60(17) . . ?
C29 Pt2 C6 91.52(17) . . ?
C12 Pt2 C6 168.85(17) . . ?
C5 Pt2 C6 37.62(17) . . ?
C30 Pt2 C13 103.32(18) . . ?
C29 Pt2 C13 91.51(17) . . ?
C12 Pt2 C13 37.44(17) . . ?
C5 Pt2 C13 165.37(17) . . ?
C6 Pt2 C13 134.77(17) . . ?
C30 Pt2 Pd1 126.56(13) . . ?
C29 Pt2 Pd1 159.88(13) . . ?
C12 Pt2 Pd1 78.77(13) . . ?
C5 Pt2 Pd1 75.50(12) . . ?
C6 Pt2 Pd1 96.38(12) . . ?
C13 Pt2 Pd1 95.92(12) . . ?
C30 Pt2 Pt1 171.00(13) . . ?
C29 Pt2 Pt1 137.86(13) . . ?
C12 Pt2 Pt1 93.23(12) . . ?
C5 Pt2 Pt1 93.22(11) . . ?
C6 Pt2 Pt1 75.64(12) . . ?
C13 Pt2 Pt1 72.21(12) . . ?
Pd1 Pt2 Pt1 62.240(8) . . ?
C22 Pt3 C15 160.90(18) . . ?
C22 Pt3 C23 38.28(17) . . ?
C15 Pt3 C23 160.81(17) . . ?
C22 Pt3 C16 161.80(17) . . ?
C15 Pt3 C16 36.98(16) . . ?
C23 Pt3 C16 123.93(17) . . ?
C22 Pt3 C21 131.59(17) . . ?
C15 Pt3 C21 33.11(16) . . ?
C23 Pt3 C21 156.67(16) . . ?
C16 Pt3 C21 62.21(15) . . ?
C22 Pt3 Pt1 88.39(12) . . ?
C15 Pt3 Pt1 83.96(11) . . ?
C23 Pt3 Pt1 103.29(12) . . ?
C16 Pt3 Pt1 102.72(11) . . ?
C21 Pt3 Pt1 96.29(10) . . ?
C22 Pt3 Pt4 96.55(12) . . ?
C15 Pt3 Pt4 96.38(12) . . ?
C23 Pt3 Pt4 70.91(12) . . ?
C16 Pt3 Pt4 68.39(11) . . ?
C21 Pt3 Pt4 94.23(10) . . ?
Pt1 Pt3 Pt4 160.806(9) . . ?
C22 Pt3 Pd2 83.05(13) . . ?
C15 Pt3 Pd2 92.28(11) . . ?
C23 Pt3 Pd2 92.50(12) . . ?
C16 Pt3 Pd2 96.20(11) . . ?
C21 Pt3 Pd2 64.18(10) . . ?
Pt1 Pt3 Pd2 142.079(10) . . ?
Pt4 Pt3 Pd2 57.107(8) . . ?
C44 Pt4 C43 33.58(17) . . ?
C44 Pt4 C17 86.80(17) . . ?
C43 Pt4 C17 99.93(17) . . ?
C44 Pt4 C25 102.01(17) . . ?
C43 Pt4 C25 89.98(16) . . ?
C17 Pt4 C25 170.07(16) . . ?
C44 Pt4 C18 98.31(17) . . ?
C43 Pt4 C18 90.02(16) . . ?
C17 Pt4 C18 37.74(16) . . ?
C25 Pt4 C18 142.76(17) . . ?
C44 Pt4 C24 94.35(17) . . ?
C43 Pt4 C24 103.86(17) . . ?
C17 Pt4 C24 138.06(16) . . ?
C25 Pt4 C24 37.73(16) . . ?
C18 Pt4 C24 166.00(17) . . ?
C44 Pt4 Pd2 163.51(12) . . ?
C43 Pt4 Pd2 130.13(13) . . ?
C17 Pt4 Pd2 96.66(12) . . ?
C25 Pt4 Pd2 76.20(12) . . ?
C18 Pt4 Pd2 75.54(12) . . ?
C24 Pt4 Pd2 93.77(12) . . ?
C44 Pt4 Pt3 134.07(12) . . ?
C43 Pt4 Pt3 167.65(13) . . ?
C17 Pt4 Pt3 75.81(12) . . ?
C25 Pt4 Pt3 94.61(11) . . ?
C18 Pt4 Pt3 93.20(12) . . ?
C24 Pt4 Pt3 73.60(12) . . ?
Pd2 Pt4 Pt3 62.195(8) . . ?
C10 Pd1 C3 156.2(2) . . ?
C10 Pd1 C4 163.46(19) . . ?
C3 Pd1 C4 37.60(17) . . ?
C10 Pd1 C11 36.46(19) . . ?
C3 Pd1 C11 161.94(17) . . ?
C4 Pd1 C11 127.48(17) . . ?
C10 Pd1 C57 100.51(18) . . ?
C3 Pd1 C57 87.11(18) . . ?
C4 Pd1 C57 86.91(17) . . ?
C11 Pd1 C57 103.99(18) . . ?
C10 Pd1 Pt2 94.49(14) . . ?
C3 Pd1 Pt2 95.10(12) . . ?
C4 Pd1 Pt2 70.45(12) . . ?
C11 Pd1 Pt2 67.03(12) . . ?
C57 Pd1 Pt2 136.95(14) . . ?
C10 Pd1 Pt1 86.04(14) . . ?
C3 Pd1 Pt1 80.05(13) . . ?
C4 Pd1 Pt1 91.86(12) . . ?
C11 Pd1 Pt1 92.38(12) . . ?
C57 Pd1 Pt1 160.27(15) . . ?
Pt2 Pd1 Pt1 59.854(8) . . ?
C27 Pd2 C20 154.98(18) . . ?
C27 Pd2 C19 166.35(17) . . ?
C20 Pd2 C19 38.33(17) . . ?
C27 Pd2 C26 37.15(17) . . ?
C20 Pd2 C26 166.17(18) . . ?
C19 Pd2 C26 129.22(17) . . ?
C27 Pd2 F6 98.01(14) . . ?
C20 Pd2 F6 83.05(14) . . ?
C19 Pd2 F6 85.65(14) . . ?
C26 Pd2 F6 103.84(13) . . ?
C27 Pd2 C28 31.61(16) . . ?
C20 Pd2 C28 126.58(15) . . ?
C19 Pd2 C28 154.41(15) . . ?
C26 Pd2 C28 61.44(15) . . ?
F6 Pd2 C28 116.10(13) . . ?
C27 Pd2 Pt4 98.28(12) . . ?
C20 Pd2 Pt4 96.42(13) . . ?
C19 Pd2 Pt4 71.27(12) . . ?
C26 Pd2 Pt4 70.57(12) . . ?
F6 Pd2 Pt4 140.49(7) . . ?
C28 Pd2 Pt4 95.93(10) . . ?
C27 Pd2 Pt3 89.59(13) . . ?
C20 Pd2 Pt3 80.12(12) . . ?
C19 Pd2 Pt3 92.60(11) . . ?
C26 Pd2 Pt3 96.76(11) . . ?
F6 Pd2 Pt3 154.74(7) . . ?
C28 Pd2 Pt3 61.92(10) . . ?
Pt4 Pd2 Pt3 60.698(8) . . ?
B2 F6 Pd2 118.7(3) . . ?
C2 C1 C7 126.9(4) . . ?
C2 C1 Pt1 91.1(3) . . ?
C7 C1 Pt1 77.4(3) . . ?
C2 C1 H1 116.6 . . ?
C7 C1 H1 116.6 . . ?
Pt1 C1 H1 102.9 . . ?
C1 C2 C3 129.3(4) . . ?
C1 C2 Pt1 56.1(2) . . ?
C3 C2 Pt1 106.6(3) . . ?
C1 C2 H2 115.4 . . ?
C3 C2 H2 115.4 . . ?
Pt1 C2 H2 108.6 . . ?
C2 C3 C4 129.5(4) . . ?
C2 C3 Pd1 103.6(3) . . ?
C4 C3 Pd1 73.7(3) . . ?
C2 C3 H3 115.3 . . ?
C4 C3 H3 115.3 . . ?
Pd1 C3 H3 93.1 . . ?
C3 C4 C5 127.7(4) . . ?
C3 C4 Pd1 68.7(3) . . ?
C5 C4 Pd1 109.6(3) . . ?
C3 C4 H4 116.2 . . ?
C5 C4 H4 116.2 . . ?
Pd1 C4 H4 91.8 . . ?
C6 C5 C4 127.7(4) . . ?
C6 C5 Pt2 71.7(3) . . ?
C4 C5 Pt2 104.2(3) . . ?
C6 C5 H5 116.1 . . ?
C4 C5 H5 116.1 . . ?
Pt2 C5 H5 94.4 . . ?
C5 C6 C7 128.3(4) . . ?
C5 C6 Pt2 70.6(3) . . ?
C7 C6 Pt2 103.6(3) . . ?
C5 C6 H6 115.8 . . ?
C7 C6 H6 115.8 . . ?
Pt2 C6 H6 96.3 . . ?
C1 C7 C6 129.3(4) . . ?
C1 C7 Pt1 65.5(2) . . ?
C6 C7 Pt1 110.1(3) . . ?
C1 C7 H7 115.3 . . ?
C6 C7 H7 115.3 . . ?
Pt1 C7 H7 94.8 . . ?
C9 C8 C14 127.9(5) . . ?
C9 C8 Pt1 99.4(3) . . ?
C14 C8 Pt1 72.4(3) . . ?
C9 C8 H8 116.0 . . ?
C14 C8 H8 116.0 . . ?
Pt1 C8 H8 99.1 . . ?
C10 C9 C8 130.0(5) . . ?
C10 C9 H9 115.0 . . ?
C8 C9 H9 115.0 . . ?
C9 C10 C11 128.3(5) . . ?
C9 C10 Pd1 96.2(3) . . ?
C11 C10 Pd1 78.8(3) . . ?
C9 C10 H10 115.8 . . ?
C11 C10 H10 115.8 . . ?
Pd1 C10 H10 95.7 . . ?
C12 C11 C10 128.1(5) . . ?
C12 C11 Pd1 110.7(3) . . ?
C10 C11 Pd1 64.7(3) . . ?
C12 C11 H11 116.0 . . ?
C10 C11 H11 116.0 . . ?
Pd1 C11 H11 94.8 . . ?
C13 C12 C11 128.9(4) . . ?
C13 C12 Pt2 73.0(3) . . ?
C11 C12 Pt2 101.3(3) . . ?
C13 C12 H12 115.5 . . ?
C11 C12 H12 115.5 . . ?
Pt2 C12 H12 96.4 . . ?
C12 C13 C14 128.1(4) . . ?
C12 C13 Pt2 69.6(3) . . ?
C14 C13 Pt2 106.3(3) . . ?
C12 C13 H13 116.0 . . ?
C14 C13 H13 116.0 . . ?
Pt2 C13 H13 94.5 . . ?
C8 C14 C13 127.6(4) . . ?
C8 C14 Pt1 69.0(3) . . ?
C13 C14 Pt1 109.1(3) . . ?
C8 C14 H14 116.2 . . ?
C13 C14 H14 116.2 . . ?
Pt1 C14 H14 92.0 . . ?
C21 C15 C16 126.7(4) . . ?
C21 C15 Pt3 89.5(3) . . ?
C16 C15 Pt3 76.7(2) . . ?
C21 C15 H15 116.6 . . ?
C16 C15 H15 116.6 . . ?
Pt3 C15 H15 105.5 . . ?
C15 C16 C17 128.4(4) . . ?
C15 C16 Pt3 66.4(2) . . ?
C17 C16 Pt3 110.2(3) . . ?
C15 C16 H16 115.8 . . ?
C17 C16 H16 115.8 . . ?
Pt3 C16 H16 93.7 . . ?
C18 C17 C16 128.7(4) . . ?
C18 C17 Pt4 71.2(2) . . ?
C16 C17 Pt4 103.3(3) . . ?
C18 C17 H17 115.7 . . ?
C16 C17 H17 115.7 . . ?
Pt4 C17 H17 96.0 . . ?
C17 C18 C19 127.5(4) . . ?
C17 C18 Pt4 71.0(2) . . ?
C19 C18 Pt4 102.2(3) . . ?
C17 C18 H18 116.2 . . ?
C19 C18 H18 116.2 . . ?
Pt4 C18 H18 97.4 . . ?
C18 C19 C20 128.0(4) . . ?
C18 C19 Pd2 110.8(3) . . ?
C20 C19 Pd2 69.4(3) . . ?
C18 C19 H19 116.0 . . ?
C20 C19 H19 116.0 . . ?
Pd2 C19 H19 89.8 . . ?
C21 C20 C19 128.5(4) . . ?
C21 C20 Pd2 105.2(3) . . ?
C19 C20 Pd2 72.3(2) . . ?
C21 C20 H20 115.8 . . ?
C19 C20 H20 115.8 . . ?
Pd2 C20 H20 92.8 . . ?
C15 C21 C20 130.0(4) . . ?
C15 C21 Pt3 57.4(2) . . ?
C20 C21 Pt3 105.5(3) . . ?
C15 C21 H21 115.0 . . ?
C20 C21 H21 115.0 . . ?
Pt3 C21 H21 108.7 . . ?
C23 C22 C28 126.9(4) . . ?
C23 C22 Pt3 73.3(2) . . ?
C28 C22 Pt3 101.7(3) . . ?
C23 C22 H22 116.5 . . ?
C28 C22 H22 116.5 . . ?
Pt3 C22 H22 95.4 . . ?
C22 C23 C24 128.8(4) . . ?
C22 C23 Pt3 68.4(2) . . ?
C24 C23 Pt3 109.9(3) . . ?
C22 C23 H23 115.6 . . ?
C24 C23 H23 115.6 . . ?
Pt3 C23 H23 91.8 . . ?
C25 C24 C23 127.8(4) . . ?
C25 C24 Pt4 71.1(2) . . ?
C23 C24 Pt4 105.3(3) . . ?
C25 C24 H24 116.1 . . ?
C23 C24 H24 116.1 . . ?
Pt4 C24 H24 94.0 . . ?
C26 C25 C24 128.5(4) . . ?
C26 C25 Pt4 103.7(3) . . ?
C24 C25 Pt4 71.2(2) . . ?
C26 C25 H25 115.7 . . ?
C24 C25 H25 115.7 . . ?
Pt4 C25 H25 95.6 . . ?
C25 C26 C27 128.2(4) . . ?
C25 C26 Pd2 107.6(3) . . ?
C27 C26 Pd2 66.2(2) . . ?
C25 C26 H26 115.9 . . ?
C27 C26 H26 115.9 . . ?
Pd2 C26 H26 96.7 . . ?
C28 C27 C26 129.1(4) . . ?
C28 C27 Pd2 93.8(3) . . ?
C26 C27 Pd2 76.7(3) . . ?
C28 C27 H27 115.4 . . ?
C26 C27 H27 115.4 . . ?
Pd2 C27 H27 101.0 . . ?
C27 C28 C22 129.8(4) . . ?
C27 C28 Pd2 54.6(2) . . ?
C22 C28 Pd2 106.3(3) . . ?
C27 C28 H28 115.1 . . ?
C22 C28 H28 115.1 . . ?
Pd2 C28 H28 110.6 . . ?
C30 C29 C37 157.2(5) . . ?
C30 C29 Pt2 73.1(3) . . ?
C37 C29 Pt2 129.5(3) . . ?
C29 C30 C31 158.7(5) . . ?
C29 C30 Pt2 73.6(3) . . ?
C31 C30 Pt2 127.4(3) . . ?
C32 C31 C36 118.5(4) . . ?
C32 C31 C30 122.1(4) . . ?
C36 C31 C30 119.3(4) . . ?
C31 C32 C33 121.3(5) . . ?
C31 C32 H32 119.3 . . ?
C33 C32 H32 119.3 . . ?
C32 C33 C34 119.1(5) . . ?
C32 C33 H33 120.5 . . ?
C34 C33 H33 120.5 . . ?
C35 C34 C33 120.1(5) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C34 C35 C36 121.0(5) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.5 . . ?
C35 C36 C31 119.9(5) . . ?
C35 C36 H36 120.1 . . ?
C31 C36 H36 120.1 . . ?
C42 C37 C38 119.5(5) . . ?
C42 C37 C29 122.8(4) . . ?
C38 C37 C29 117.7(4) . . ?
C39 C38 C37 120.3(5) . . ?
C39 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C38 C39 C40 120.1(5) . . ?
C38 C39 H39 119.9 . . ?
C40 C39 H39 119.9 . . ?
C41 C40 C39 119.8(5) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
C40 C41 C42 120.4(5) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C37 C42 C41 119.8(5) . . ?
C37 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
C44 C43 C51 157.9(5) . . ?
C44 C43 Pt4 73.1(3) . . ?
C51 C43 Pt4 128.9(3) . . ?
C43 C44 C45 158.5(5) . . ?
C43 C44 Pt4 73.4(3) . . ?
C45 C44 Pt4 127.0(3) . . ?
C46 C45 C50 119.3(4) . . ?
C46 C45 C44 121.8(4) . . ?
C50 C45 C44 118.9(4) . . ?
C47 C46 C45 120.4(5) . . ?
C47 C46 H46 119.8 . . ?
C45 C46 H46 119.8 . . ?
C46 C47 C48 120.2(5) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
C49 C48 C47 119.3(5) . . ?
C49 C48 H48 120.4 . . ?
C47 C48 H48 120.4 . . ?
C50 C49 C48 120.3(5) . . ?
C50 C49 H49 119.8 . . ?
C48 C49 H49 119.8 . . ?
C49 C50 C45 120.4(5) . . ?
C49 C50 H50 119.8 . . ?
C45 C50 H50 119.8 . . ?
C52 C51 C56 119.5(4) . . ?
C52 C51 C43 119.1(4) . . ?
C56 C51 C43 121.4(4) . . ?
C53 C52 C51 120.5(5) . . ?
C53 C52 H52 119.8 . . ?
C51 C52 H52 119.8 . . ?
C52 C53 C54 119.9(5) . . ?
C52 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C55 C54 C53 119.6(4) . . ?
C55 C54 H54 120.2 . . ?
C53 C54 H54 120.2 . . ?
C54 C55 C56 120.9(5) . . ?
C54 C55 H55 119.5 . . ?
C56 C55 H55 119.5 . . ?
C55 C56 C51 119.6(4) . . ?
C55 C56 H56 120.2 . . ?
C51 C56 H56 120.2 . . ?
C62 C57 C58 120.3(5) . . ?
C62 C57 Pd1 103.7(4) . . ?
C58 C57 Pd1 85.0(3) . . ?
C62 C57 H57 119.8 . . ?
C58 C57 H57 119.8 . . ?
Pd1 C57 H57 81.3 . . ?
C59 C58 C57 120.0(6) . . ?
C59 C58 H58 120.0 . . ?
C57 C58 H58 120.0 . . ?
C60 C59 C58 119.9(6) . . ?
C60 C59 H59 120.0 . . ?
C58 C59 H59 120.0 . . ?
C59 C60 C61 120.2(5) . . ?
C59 C60 H60 119.9 . . ?
C61 C60 H60 119.9 . . ?
C60 C61 C62 120.6(6) . . ?
C60 C61 H61 119.7 . . ?
C62 C61 H61 119.7 . . ?
C57 C62 C61 118.9(6) . . ?
C57 C62 H62 120.6 . . ?
C61 C62 H62 120.6 . . ?
C64 C63 C68 120.1(6) . . ?
C64 C63 H63 120.0 . . ?
C68 C63 H63 120.0 . . ?
C65 C64 C63 119.6(6) . . ?
C65 C64 H64 120.2 . . ?
C63 C64 H64 120.2 . . ?
C66 C65 C64 119.9(6) . . ?
C66 C65 H65 120.0 . . ?
C64 C65 H65 120.0 . . ?
C65 C66 C67 120.0(6) . . ?
C65 C66 H66 120.0 . . ?
C67 C66 H66 120.0 . . ?
C68 C67 C66 121.0(6) . . ?
C68 C67 H67 119.5 . . ?
C66 C67 H67 119.5 . . ?
C67 C68 C63 119.3(6) . . ?
C67 C68 H69 120.3 . . ?
C63 C68 H69 120.3 . . ?
C71 C69 C70 120.2(6) 2_676 . ?
C71 C69 H69A 119.9 2_676 . ?
C70 C69 H69A 119.9 . . ?
C71 C70 C69 120.3(5) . . ?
C71 C70 H70 119.8 . . ?
C69 C70 H70 119.8 . . ?
C69 C71 C70 119.4(6) 2_676 . ?
C69 C71 H71 120.3 2_676 . ?
C70 C71 H71 120.3 . . ?
F2 B1 F4 110.1(5) . . ?
F2 B1 F1 109.5(5) . . ?
F4 B1 F1 108.4(5) . . ?
F2 B1 F3 111.1(5) . . ?
F4 B1 F3 109.5(5) . . ?
F1 B1 F3 108.3(4) . . ?
F8 B2 F7 111.3(4) . . ?
F8 B2 F5 111.3(5) . . ?
F7 B2 F5 110.0(5) . . ?
F8 B2 F6 108.3(4) . . ?
F7 B2 F6 108.3(4) . . ?
F5 B2 F6 107.5(4) . . ?

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
C7 C1 C2 C3 -9.0(8) . . . . ?
Pt1 C1 C2 C3 -83.9(5) . . . . ?
C7 C1 C2 Pt1 75.0(4) . . . . ?
C1 C2 C3 C4 3.9(9) . . . . ?
Pt1 C2 C3 C4 -55.5(6) . . . . ?
C1 C2 C3 Pd1 83.8(5) . . . . ?
Pt1 C2 C3 Pd1 24.3(3) . . . . ?
C2 C3 C4 C5 -4.5(8) . . . . ?
Pd1 C3 C4 C5 -98.8(5) . . . . ?
C2 C3 C4 Pd1 94.3(5) . . . . ?
C3 C4 C5 C6 5.0(8) . . . . ?
Pd1 C4 C5 C6 -72.8(5) . . . . ?
C3 C4 C5 Pt2 82.7(5) . . . . ?
Pd1 C4 C5 Pt2 5.0(3) . . . . ?
C4 C5 C6 C7 1.8(8) . . . . ?
Pt2 C5 C6 C7 -92.4(5) . . . . ?
C4 C5 C6 Pt2 94.1(5) . . . . ?
C2 C1 C7 C6 14.8(8) . . . . ?
Pt1 C1 C7 C6 96.5(5) . . . . ?
C2 C1 C7 Pt1 -81.7(5) . . . . ?
C5 C6 C7 C1 -12.0(8) . . . . ?
Pt2 C6 C7 C1 -88.0(5) . . . . ?
C5 C6 C7 Pt1 62.2(5) . . . . ?
Pt2 C6 C7 Pt1 -13.7(3) . . . . ?
C14 C8 C9 C10 6.1(9) . . . . ?
Pt1 C8 C9 C10 81.1(6) . . . . ?
C8 C9 C10 C11 -3.9(9) . . . . ?
C8 C9 C10 Pd1 -84.5(6) . . . . ?
C9 C10 C11 C12 8.1(9) . . . . ?
Pd1 C10 C11 C12 97.2(5) . . . . ?
C9 C10 C11 Pd1 -89.1(5) . . . . ?
C10 C11 C12 C13 -10.9(8) . . . . ?
Pd1 C11 C12 C13 62.6(6) . . . . ?
C10 C11 C12 Pt2 -88.0(5) . . . . ?
Pd1 C11 C12 Pt2 -14.5(3) . . . . ?
C11 C12 C13 C14 4.1(8) . . . . ?
Pt2 C12 C13 C14 95.1(5) . . . . ?
C11 C12 C13 Pt2 -90.9(5) . . . . ?
C9 C8 C14 C13 -10.1(8) . . . . ?
Pt1 C8 C14 C13 -98.4(5) . . . . ?
C9 C8 C14 Pt1 88.3(5) . . . . ?
C12 C13 C14 C8 6.5(8) . . . . ?
Pt2 C13 C14 C8 83.1(5) . . . . ?
C12 C13 C14 Pt1 -71.2(6) . . . . ?
Pt2 C13 C14 Pt1 5.3(4) . . . . ?
C21 C15 C16 C17 -18.6(7) . . . . ?
Pt3 C15 C16 C17 -97.7(4) . . . . ?
C21 C15 C16 Pt3 79.1(4) . . . . ?
C15 C16 C17 C18 13.7(8) . . . . ?
Pt3 C16 C17 C18 -61.6(5) . . . . ?
C15 C16 C17 Pt4 90.2(5) . . . . ?
Pt3 C16 C17 Pt4 14.9(3) . . . . ?
C16 C17 C18 C19 1.3(7) . . . . ?
Pt4 C17 C18 C19 -91.0(4) . . . . ?
C16 C17 C18 Pt4 92.3(5) . . . . ?
C17 C18 C19 C20 -9.2(7) . . . . ?
Pt4 C18 C19 C20 -84.5(5) . . . . ?
C17 C18 C19 Pd2 70.4(5) . . . . ?
Pt4 C18 C19 Pd2 -4.9(3) . . . . ?
C18 C19 C20 C21 5.2(8) . . . . ?
Pd2 C19 C20 C21 -95.6(5) . . . . ?
C18 C19 C20 Pd2 100.8(4) . . . . ?
C16 C15 C21 C20 10.1(7) . . . . ?
Pt3 C15 C21 C20 83.0(5) . . . . ?
C16 C15 C21 Pt3 -72.9(4) . . . . ?
C19 C20 C21 C15 -2.4(8) . . . . ?
Pd2 C20 C21 C15 -81.6(5) . . . . ?
C19 C20 C21 Pt3 57.7(5) . . . . ?
Pd2 C20 C21 Pt3 -21.5(3) . . . . ?
C28 C22 C23 C24 6.4(7) . . . . ?
Pt3 C22 C23 C24 98.7(5) . . . . ?
C28 C22 C23 Pt3 -92.3(4) . . . . ?
C22 C23 C24 C25 -5.4(8) . . . . ?
Pt3 C23 C24 C25 72.4(5) . . . . ?
C22 C23 C24 Pt4 -83.1(5) . . . . ?
Pt3 C23 C24 Pt4 -5.3(3) . . . . ?
C23 C24 C25 C26 -2.2(8) . . . . ?
Pt4 C24 C25 C26 92.8(5) . . . . ?
C23 C24 C25 Pt4 -95.0(4) . . . . ?
C24 C25 C26 C27 9.7(8) . . . . ?
Pt4 C25 C26 C27 86.4(5) . . . . ?
C24 C25 C26 Pd2 -63.4(5) . . . . ?
Pt4 C25 C26 Pd2 13.3(3) . . . . ?
C25 C26 C27 C28 -10.2(8) . . . . ?
Pd2 C26 C27 C28 83.9(5) . . . . ?
C25 C26 C27 Pd2 -94.2(5) . . . . ?
C26 C27 C28 C22 5.9(8) . . . . ?
Pd2 C27 C28 C22 81.8(5) . . . . ?
C26 C27 C28 Pd2 -75.9(5) . . . . ?
C23 C22 C28 C27 -4.3(8) . . . . ?
Pt3 C22 C28 C27 -82.1(5) . . . . ?
C23 C22 C28 Pd2 53.0(5) . . . . ?
Pt3 C22 C28 Pd2 -24.9(3) . . . . ?
C37 C29 C30 C31 2(2) . . . . ?
Pt2 C29 C30 C31 -171.2(14) . . . . ?
C37 C29 C30 Pt2 173.3(13) . . . . ?
C29 C30 C31 C32 -170.8(12) . . . . ?
Pt2 C30 C31 C32 19.8(7) . . . . ?
C29 C30 C31 C36 9.8(16) . . . . ?
Pt2 C30 C31 C36 -159.6(4) . . . . ?
C36 C31 C32 C33 -0.7(8) . . . . ?
C30 C31 C32 C33 180.0(5) . . . . ?
C31 C32 C33 C34 1.7(9) . . . . ?
C32 C33 C34 C35 -1.5(9) . . . . ?
C33 C34 C35 C36 0.2(9) . . . . ?
C34 C35 C36 C31 0.8(8) . . . . ?
C32 C31 C36 C35 -0.6(7) . . . . ?
C30 C31 C36 C35 178.8(5) . . . . ?
C30 C29 C37 C42 156.9(11) . . . . ?
Pt2 C29 C37 C42 -31.5(7) . . . . ?
C30 C29 C37 C38 -23.7(15) . . . . ?
Pt2 C29 C37 C38 148.0(4) . . . . ?
C42 C37 C38 C39 1.3(8) . . . . ?
C29 C37 C38 C39 -178.1(5) . . . . ?
C37 C38 C39 C40 -0.7(9) . . . . ?
C38 C39 C40 C41 -1.0(9) . . . . ?
C39 C40 C41 C42 2.1(9) . . . . ?
C38 C37 C42 C41 -0.2(8) . . . . ?
C29 C37 C42 C41 179.2(5) . . . . ?
C40 C41 C42 C37 -1.5(9) . . . . ?
C51 C43 C44 C45 -22(2) . . . . ?
Pt4 C43 C44 C45 163.0(12) . . . . ?
C51 C43 C44 Pt4 174.7(12) . . . . ?
C43 C44 C45 C46 158.9(11) . . . . ?
Pt4 C44 C45 C46 -41.6(6) . . . . ?
C43 C44 C45 C50 -21.0(14) . . . . ?
Pt4 C44 C45 C50 138.5(4) . . . . ?
C50 C45 C46 C47 2.3(7) . . . . ?
C44 C45 C46 C47 -177.6(4) . . . . ?
C45 C46 C47 C48 -3.0(7) . . . . ?
C46 C47 C48 C49 1.6(8) . . . . ?
C47 C48 C49 C50 0.5(8) . . . . ?
C48 C49 C50 C45 -1.2(8) . . . . ?
C46 C45 C50 C49 -0.3(7) . . . . ?
C44 C45 C50 C49 179.7(5) . . . . ?
C44 C43 C51 C52 8.3(14) . . . . ?
Pt4 C43 C51 C52 -178.2(3) . . . . ?
C44 C43 C51 C56 -171.4(11) . . . . ?
Pt4 C43 C51 C56 2.1(6) . . . . ?
C56 C51 C52 C53 2.1(7) . . . . ?
C43 C51 C52 C53 -177.6(4) . . . . ?
C51 C52 C53 C54 -1.5(7) . . . . ?
C52 C53 C54 C55 0.1(7) . . . . ?
C53 C54 C55 C56 0.6(7) . . . . ?
C54 C55 C56 C51 0.1(7) . . . . ?
C52 C51 C56 C55 -1.4(7) . . . . ?
C43 C51 C56 C55 178.3(4) . . . . ?
C62 C57 C58 C59 -1.2(8) . . . . ?
Pd1 C57 C58 C59 -104.2(5) . . . . ?
C57 C58 C59 C60 0.0(8) . . . . ?
C58 C59 C60 C61 1.8(9) . . . . ?
C59 C60 C61 C62 -2.5(9) . . . . ?
C58 C57 C62 C61 0.6(9) . . . . ?
Pd1 C57 C62 C61 92.8(5) . . . . ?
C60 C61 C62 C57 1.3(9) . . . . ?
C68 C63 C64 C65 1.1(9) . . . . ?
C63 C64 C65 C66 -0.9(9) . . . . ?
C64 C65 C66 C67 0.3(8) . . . . ?
C65 C66 C67 C68 0.2(9) . . . . ?
C66 C67 C68 C63 -0.1(9) . . . . ?
C64 C63 C68 C67 -0.6(9) . . . . ?
C71 C69 C70 C71 0.1(10) 2_676 . . . ?
C69 C70 C71 C69 -0.1(10) . . . 2_676 ?
Pd2 F6 B2 F8 173.2(3) . . . . ?
Pd2 F6 B2 F7 52.4(5) . . . . ?
Pd2 F6 B2 F5 -66.5(5) . . . . ?

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

_shelxl_version_number           2013-3


