# Supplementary Information (SI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_meyerf210323_0ma
_database_code_depnum_ccdc_archive 'CCDC 2378087'
loop_
_audit_author_name
_audit_author_address
Daniel
;University of Bremen
Germany
;
_audit_update_record             
;
2024-09-15 deposited with the CCDC.	2024-10-08 downloaded from the CCDC.
;
_audit_creation_date             2022-12-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H46 Cl Ga P4'
_chemical_formula_sum            'C60 H46 Cl Ga P4'
_chemical_formula_weight         996.02
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y-1/2, z-1/2'
'-x, -y, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   25.641(2)
_cell_length_b                   10.5252(9)
_cell_length_c                   19.2556(15)
_cell_angle_alpha                90
_cell_angle_beta                 109.104(4)
_cell_angle_gamma                90
_cell_volume                     4910.4(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9224
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      30.92
_cell_measurement_theta_min      2.24
_shelx_estimated_absorpt_T_max   0.926
_shelx_estimated_absorpt_T_min   0.799
_exptl_absorpt_coefficient_mu    0.785
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6249
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1472 before and 0.0715 after correction.
The Ratio of minimum to maximum transmission is 0.8374.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0737
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            151264
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         2.110
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10186
_reflns_number_total             12167
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX3 V2019.1-01 (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/4 (Sheldrick, 2015)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         0.887
_refine_diff_density_min         -0.553
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         12167
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0405
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0314P)²+5.9321P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0895
_refine_ls_wR_factor_ref         0.0952
_refine_special_details          
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Fixed Sof: Ga1(0.89) Cl1(0.89) Ga2(0.11) Cl2(0.11)
3.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C64(H64), C14(H14), C13(H13), C63(H63), C62(H62), C41(H41),
 C51(H51), C104(H104), C71(H71), C34(H34), C103(H103), C81(H81), C72(H72),
 C101(H101), C31(H31), C85(H85), C94(H94), C52(H52), C82(H82), C21(H21),
 C75(H75), C45(H45), C55(H55), C92(H92), C33(H33), C95(H95), C84(H84),
 C102(H102), C43(H43), C74(H74), C42(H42), C35(H35), C73(H73), C25(H25),
 C105(H105), C24(H24), C44(H44), C93(H93), C91(H91), C54(H54), C83(H83),
 C23(H23), C53(H53), C32(H32), C22(H22)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Ga1 Ga 0.74338(2) 0.45714(3) 0.48040(2) 0.01137(7) Uani 0.89 1 d . . P A 1
Cl1 Cl 0.73904(3) 0.24366(6) 0.47724(4) 0.01904(14) Uani 0.89 1 d . . P A 1
P2 P 0.89075(2) 0.41304(5) 0.57653(3) 0.01452(10) Uani 1 1 d . . . . .
P4 P 0.79211(2) 0.57966(5) 0.63274(3) 0.01648(11) Uani 1 1 d . . . . .
P3 P 0.60433(2) 0.42973(5) 0.41480(3) 0.01428(11) Uani 1 1 d . . . . .
P1 P 0.71365(2) 0.55546(5) 0.35129(3) 0.01498(11) Uani 1 1 d . . . . .
C12 C 0.82172(8) 0.55572(19) 0.33401(10) 0.0167(4) Uani 1 1 d . . . . .
H12 H 0.807604 0.589177 0.285620 0.020 Uiso 1 1 calc R U . . .
C64 C 0.68634(8) 0.57645(19) 0.65331(10) 0.0192(4) Uani 1 1 d . . . . .
H64 H 0.702663 0.613266 0.700516 0.023 Uiso 1 1 calc R U . . .
C14 C 0.89716(7) 0.47238(19) 0.43498(10) 0.0156(4) Uani 1 1 d . . . . .
H14 H 0.934523 0.445295 0.453569 0.019 Uiso 1 1 calc R U . . .
C13 C 0.87634(8) 0.5179(2) 0.36315(10) 0.0179(4) Uani 1 1 d . . . . .
H13 H 0.899800 0.523044 0.333941 0.021 Uiso 1 1 calc R U . . .
C63 C 0.63123(8) 0.5389(2) 0.63027(10) 0.0187(4) Uani 1 1 d . . . . .
H63 H 0.610330 0.546495 0.662690 0.022 Uiso 1 1 calc R U . . .
C15 C 0.86438(7) 0.46566(18) 0.48025(10) 0.0131(3) Uani 1 1 d . . . . .
C62 C 0.60669(8) 0.49027(19) 0.55985(10) 0.0160(4) Uani 1 1 d . . . . .
H62 H 0.569219 0.463834 0.544853 0.019 Uiso 1 1 calc R U . . .
C61 C 0.63647(7) 0.47985(18) 0.51094(10) 0.0131(4) Uani 1 1 d . . . . .
C11 C 0.78798(7) 0.54330(18) 0.37774(10) 0.0151(4) Uani 1 1 d . . . . .
C10 C 0.80821(7) 0.49765(18) 0.45055(10) 0.0129(3) Uani 1 1 d . . . . .
C30 C 0.69354(8) 0.72141(19) 0.33912(10) 0.0166(4) Uani 1 1 d . . . . .
C80 C 0.55235(7) 0.55393(19) 0.37733(10) 0.0165(4) Uani 1 1 d . . . . .
C100 C 0.80580(8) 0.7486(2) 0.64797(10) 0.0171(4) Uani 1 1 d . . . . .
C41 C 0.99612(8) 0.30277(19) 0.59190(11) 0.0174(4) Uani 1 1 d . . . . .
H41 H 1.011612 0.385416 0.602323 0.021 Uiso 1 1 calc R U . . .
C65 C 0.71744(8) 0.55957(18) 0.60646(10) 0.0155(4) Uani 1 1 d . . . . .
C20 C 0.68659(7) 0.4753(2) 0.26363(10) 0.0176(4) Uani 1 1 d . . . . .
C40 C 0.93919(7) 0.28643(18) 0.57337(10) 0.0135(4) Uani 1 1 d . . . . .
C90 C 0.81571(7) 0.5032(2) 0.72281(11) 0.0172(4) Uani 1 1 d . . . . .
C51 C 0.95761(9) 0.6355(2) 0.58148(11) 0.0220(4) Uani 1 1 d . . . . .
H51 H 0.941487 0.641549 0.529607 0.026 Uiso 1 1 calc R U . . .
C70 C 0.55968(7) 0.29690(19) 0.42174(10) 0.0141(4) Uani 1 1 d . . . . .
C104 C 0.87461(10) 0.9156(2) 0.68208(13) 0.0306(5) Uani 1 1 d . . . . .
H104 H 0.911987 0.940770 0.704088 0.037 Uiso 1 1 calc R U . . .
C71 C 0.50268(8) 0.30789(19) 0.40610(11) 0.0177(4) Uani 1 1 d . . . . .
H71 H 0.485738 0.389159 0.396250 0.021 Uiso 1 1 calc R U . . .
C34 C 0.62080(9) 0.8787(2) 0.30677(12) 0.0280(5) Uani 1 1 d . . . . .
H34 H 0.582825 0.899321 0.285354 0.034 Uiso 1 1 calc R U . . .
C103 C 0.83481(11) 1.0064(2) 0.65254(14) 0.0341(6) Uani 1 1 d . . . . .
H103 H 0.844664 1.093587 0.654117 0.041 Uiso 1 1 calc R U . . .
C81 C 0.53637(9) 0.6469(2) 0.41773(11) 0.0221(4) Uani 1 1 d . . . . .
H81 H 0.554829 0.652708 0.469180 0.026 Uiso 1 1 calc R U . . .
C72 C 0.47053(8) 0.2010(2) 0.40481(12) 0.0208(4) Uani 1 1 d . . . . .
H72 H 0.431818 0.209643 0.394199 0.025 Uiso 1 1 calc R U . . .
C101 C 0.76581(9) 0.8407(2) 0.61812(12) 0.0246(4) Uani 1 1 d . . . . .
H101 H 0.728375 0.816112 0.595935 0.029 Uiso 1 1 calc R U . . .
C31 C 0.73160(9) 0.8177(2) 0.36992(12) 0.0253(5) Uani 1 1 d . . . . .
H31 H 0.769559 0.797372 0.391900 0.030 Uiso 1 1 calc R U . . .
C85 C 0.52576(9) 0.5522(2) 0.30117(11) 0.0240(4) Uani 1 1 d . . . . .
H85 H 0.536285 0.490844 0.272106 0.029 Uiso 1 1 calc R U . . .
C94 C 0.82982(10) 0.3007(2) 0.78567(14) 0.0326(5) Uani 1 1 d . . . . .
H94 H 0.828699 0.210544 0.783804 0.039 Uiso 1 1 calc R U . . .
C52 C 0.99854(10) 0.7208(2) 0.61844(14) 0.0305(5) Uani 1 1 d . . . . .
H52 H 1.010960 0.783019 0.591702 0.037 Uiso 1 1 calc R U . . .
C82 C 0.49390(10) 0.7313(2) 0.38414(13) 0.0294(5) Uani 1 1 d . . . . .
H82 H 0.482677 0.792001 0.412929 0.035 Uiso 1 1 calc R U . . .
C21 C 0.66517(8) 0.5363(2) 0.19614(11) 0.0228(4) Uani 1 1 d . . . . .
H21 H 0.661991 0.626208 0.193972 0.027 Uiso 1 1 calc R U . . .
C75 C 0.58354(8) 0.1762(2) 0.43639(10) 0.0185(4) Uani 1 1 d . . . . .
H75 H 0.622255 0.167019 0.447241 0.022 Uiso 1 1 calc R U . . .
C45 C 0.91747(8) 0.1641(2) 0.55779(10) 0.0178(4) Uani 1 1 d . . . . .
H45 H 0.878755 0.151746 0.544907 0.021 Uiso 1 1 calc R U . . .
C55 C 0.96218(9) 0.5392(2) 0.69607(11) 0.0259(5) Uani 1 1 d . . . . .
H55 H 0.949580 0.478077 0.723215 0.031 Uiso 1 1 calc R U . . .
C92 C 0.84751(9) 0.4932(2) 0.85534(12) 0.0287(5) Uani 1 1 d . . . . .
H92 H 0.859028 0.535374 0.901499 0.034 Uiso 1 1 calc R U . . .
C33 C 0.65876(10) 0.9738(2) 0.33699(13) 0.0311(5) Uani 1 1 d . . . . .
H33 H 0.646894 1.059475 0.336075 0.037 Uiso 1 1 calc R U . . .
C60 C 0.69326(7) 0.50996(17) 0.53545(10) 0.0127(3) Uani 1 1 d . . . . .
C95 C 0.81515(9) 0.3704(2) 0.72107(12) 0.0250(5) Uani 1 1 d . . . . .
H95 H 0.804612 0.327437 0.675152 0.030 Uiso 1 1 calc R U . . .
C84 C 0.48429(9) 0.6386(2) 0.26735(12) 0.0304(5) Uani 1 1 d . . . . .
H84 H 0.467194 0.636732 0.215513 0.036 Uiso 1 1 calc R U . . .
C102 C 0.78027(11) 0.9695(2) 0.62049(14) 0.0337(5) Uani 1 1 d . . . . .
H102 H 0.752620 1.031628 0.600082 0.040 Uiso 1 1 calc R U . . .
C43 C 1.00836(9) 0.0778(2) 0.58029(12) 0.0235(4) Uani 1 1 d . . . . .
H43 H 1.031954 0.006991 0.583308 0.028 Uiso 1 1 calc R U . . .
C74 C 0.55147(9) 0.0697(2) 0.43531(12) 0.0235(4) Uani 1 1 d . . . . .
H74 H 0.568229 -0.011688 0.445743 0.028 Uiso 1 1 calc R U . . .
C42 C 1.03035(8) 0.1988(2) 0.59522(12) 0.0207(4) Uani 1 1 d . . . . .
H42 H 1.069056 0.210882 0.607804 0.025 Uiso 1 1 calc R U . . .
C35 C 0.63778(8) 0.7536(2) 0.30755(11) 0.0226(4) Uani 1 1 d . . . . .
H35 H 0.611383 0.689213 0.286499 0.027 Uiso 1 1 calc R U . . .
C73 C 0.49462(9) 0.0823(2) 0.41890(12) 0.0228(4) Uani 1 1 d . . . . .
H73 H 0.472468 0.009356 0.417398 0.027 Uiso 1 1 calc R U . . .
C25 C 0.69122(10) 0.3435(2) 0.26600(13) 0.0300(5) Uani 1 1 d . . . . .
H25 H 0.705113 0.301411 0.312028 0.036 Uiso 1 1 calc R U . . .
C105 C 0.86087(8) 0.7881(2) 0.68014(12) 0.0236(4) Uani 1 1 d . . . . .
H105 H 0.888865 0.726755 0.700694 0.028 Uiso 1 1 calc R U . . .
C24 C 0.67568(11) 0.2735(3) 0.20155(14) 0.0378(6) Uani 1 1 d . . . . .
H24 H 0.679943 0.183799 0.203390 0.045 Uiso 1 1 calc R U . . .
C44 C 0.95141(9) 0.0602(2) 0.56079(12) 0.0226(4) Uani 1 1 d . . . . .
H44 H 0.936004 -0.022360 0.549648 0.027 Uiso 1 1 calc R U . . .
C50 C 0.93973(8) 0.54093(19) 0.61916(10) 0.0170(4) Uani 1 1 d . . . . .
C93 C 0.84615(9) 0.3623(3) 0.85307(13) 0.0323(5) Uani 1 1 d . . . . .
H93 H 0.856336 0.314612 0.897373 0.039 Uiso 1 1 calc R U . . .
C91 C 0.83219(8) 0.5645(2) 0.79069(11) 0.0234(4) Uani 1 1 d . . . . .
H91 H 0.832986 0.654658 0.792952 0.028 Uiso 1 1 calc R U . . .
C54 C 1.00262(10) 0.6259(2) 0.73310(12) 0.0326(6) Uani 1 1 d . . . . .
H54 H 1.017421 0.623516 0.785215 0.039 Uiso 1 1 calc R U . . .
C83 C 0.46787(10) 0.7271(2) 0.30866(14) 0.0316(5) Uani 1 1 d . . . . .
H83 H 0.438900 0.784843 0.285626 0.038 Uiso 1 1 calc R U . . .
C23 C 0.65387(10) 0.3344(3) 0.13428(13) 0.0329(5) Uani 1 1 d . . . . .
H23 H 0.642734 0.286291 0.090092 0.039 Uiso 1 1 calc R U . . .
C53 C 1.02137(10) 0.7154(2) 0.69448(14) 0.0352(6) Uani 1 1 d . . . . .
H53 H 1.049753 0.772965 0.719798 0.042 Uiso 1 1 calc R U . . .
C32 C 0.71409(11) 0.9436(2) 0.36855(14) 0.0340(5) Uani 1 1 d . . . . .
H32 H 0.740201 1.008747 0.389305 0.041 Uiso 1 1 calc R U . . .
C22 C 0.64843(9) 0.4648(2) 0.13178(12) 0.0292(5) Uani 1 1 d . . . . .
H22 H 0.633110 0.506185 0.085735 0.035 Uiso 1 1 calc R U . . .
Ga2 Ga 0.75462(11) 0.4594(3) 0.51371(17) 0.0200(6) Uani 0.11 1 d . . P A 2
Cl2 Cl 0.7551(2) 0.2468(5) 0.5116(4) 0.0196(11) Uani 0.11 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
GA1a Cl1 2.2495(8) . ?
GA1a P1 2.5674(6) . ?
GA1a C10 1.9751(18) . ?
GA1a C60 1.9939(18) . ?
GA2b Cl2 2.238(6) . ?
P2 C15 1.8385(18) . ?
P2 C40 1.8361(19) . ?
P2 C50 1.841(2) . ?
P4 C100 1.818(2) . ?
P4 C65 1.8254(19) . ?
P4 C90 1.826(2) . ?
P4 Ga2 2.517(3) . ?
P3 C61 1.8400(18) . ?
P3 C80 1.838(2) . ?
P3 C70 1.8393(19) . ?
P1 C11 1.8092(19) . ?
P1 C30 1.814(2) . ?
P1 C20 1.810(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.386(3) . ?
C12 C11 1.397(3) . ?
C64 H64 0.9500 . ?
C64 C63 1.393(3) . ?
C64 C65 1.397(3) . ?
C14 H14 0.9500 . ?
C14 C13 1.394(3) . ?
C14 C15 1.397(3) . ?
C13 H13 0.9500 . ?
C63 H63 0.9500 . ?
C63 C62 1.392(3) . ?
C15 C10 1.406(2) . ?
C62 H62 0.9500 . ?
C62 C61 1.397(3) . ?
C61 C60 1.412(2) . ?
C11 C10 1.411(3) . ?
C10 Ga2 2.150(3) . ?
C30 C31 1.397(3) . ?
C30 C35 1.400(3) . ?
C80 C81 1.392(3) . ?
C80 C85 1.400(3) . ?
C100 C101 1.391(3) . ?
C100 C105 1.406(3) . ?
C41 H41 0.9500 . ?
C41 C40 1.395(2) . ?
C41 C42 1.391(3) . ?
C65 C60 1.404(3) . ?
C65 Ga2 2.515(3) . ?
C20 C21 1.391(3) . ?
C20 C25 1.391(3) . ?
C40 C45 1.396(3) . ?
C90 C95 1.399(3) . ?
C90 C91 1.393(3) . ?
C51 H51 0.9500 . ?
C51 C52 1.388(3) . ?
C51 C50 1.394(3) . ?
C70 C71 1.397(3) . ?
C70 C75 1.398(3) . ?
C104 H104 0.9500 . ?
C104 C103 1.378(4) . ?
C104 C105 1.385(3) . ?
C71 H71 0.9500 . ?
C71 C72 1.390(3) . ?
C34 H34 0.9500 . ?
C34 C33 1.385(4) . ?
C34 C35 1.385(3) . ?
C103 H103 0.9500 . ?
C103 C102 1.387(4) . ?
C81 H81 0.9500 . ?
C81 C82 1.390(3) . ?
C72 H72 0.9500 . ?
C72 C73 1.380(3) . ?
C101 H101 0.9500 . ?
C101 C102 1.402(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.397(3) . ?
C85 H85 0.9500 . ?
C85 C84 1.389(3) . ?
C94 H94 0.9500 . ?
C94 C95 1.385(3) . ?
C94 C93 1.387(4) . ?
C52 H52 0.9500 . ?
C52 C53 1.389(4) . ?
C82 H82 0.9500 . ?
C82 C83 1.387(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.392(3) . ?
C75 H75 0.9500 . ?
C75 C74 1.386(3) . ?
C45 H45 0.9500 . ?
C45 C44 1.386(3) . ?
C55 H55 0.9500 . ?
C55 C50 1.402(3) . ?
C55 C54 1.390(3) . ?
C92 H92 0.9500 . ?
C92 C93 1.378(4) . ?
C92 C91 1.396(3) . ?
C33 H33 0.9500 . ?
C33 C32 1.385(3) . ?
C60 Ga2 1.834(3) . ?
C95 H95 0.9500 . ?
C84 H84 0.9500 . ?
C84 C83 1.377(4) . ?
C102 H102 0.9500 . ?
C43 H43 0.9500 . ?
C43 C42 1.384(3) . ?
C43 C44 1.396(3) . ?
C74 H74 0.9500 . ?
C74 C73 1.393(3) . ?
C42 H42 0.9500 . ?
C35 H35 0.9500 . ?
C73 H73 0.9500 . ?
C25 H25 0.9500 . ?
C25 C24 1.385(3) . ?
C105 H105 0.9500 . ?
C24 H24 0.9500 . ?
C24 C23 1.388(4) . ?
C44 H44 0.9500 . ?
C93 H93 0.9500 . ?
C91 H91 0.9500 . ?
C54 H54 0.9500 . ?
C54 C53 1.380(4) . ?
C83 H83 0.9500 . ?
C23 H23 0.9500 . ?
C23 C22 1.379(4) . ?
C53 H53 0.9500 . ?
C32 H32 0.9500 . ?
C22 H22 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
CL2b GA2b P4 121.1(2) . . ?
C15 P2 C50 101.63(9) . . ?
C40 P2 C15 102.40(8) . . ?
CL1a GA1a P1 112.34(3) . . ?
CL2b GA2b C65 115.9(2) . . ?
C40 P2 C50 100.10(8) . . ?
C100 P4 C65 106.72(9) . . ?
C100 P4 C90 106.93(9) . . ?
C100 P4 Ga2 129.41(10) . . ?
C65 P4 C90 101.75(9) . . ?
C65 P4 Ga2 68.66(9) . . ?
C90 P4 Ga2 123.53(10) . . ?
C80 P3 C61 102.68(9) . . ?
C80 P3 C70 100.40(8) . . ?
C70 P3 C61 103.26(8) . . ?
C11 P1 Ga1 75.37(6) . . ?
C11 P1 C30 109.45(9) . . ?
C11 P1 C20 106.05(9) . . ?
C30 P1 Ga1 119.66(6) . . ?
C20 P1 Ga1 128.09(7) . . ?
C20 P1 C30 108.80(9) . . ?
C13 C12 H12 120.9 . . ?
C13 C12 C11 118.18(17) . . ?
C11 C12 H12 120.9 . . ?
C63 C64 H64 120.3 . . ?
C63 C64 C65 119.48(17) . . ?
C65 C64 H64 120.3 . . ?
C13 C14 H14 119.2 . . ?
C13 C14 C15 121.54(17) . . ?
C15 C14 H14 119.2 . . ?
C12 C13 C14 120.56(17) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C64 C63 H63 119.9 . . ?
C62 C63 C64 120.18(18) . . ?
C62 C63 H63 119.9 . . ?
C14 C15 P2 123.13(14) . . ?
C14 C15 C10 118.67(16) . . ?
C10 C15 P2 118.18(13) . . ?
C63 C62 H62 119.6 . . ?
C63 C62 C61 120.85(17) . . ?
C61 C62 H62 119.6 . . ?
C62 C61 P3 122.48(14) . . ?
C62 C61 C60 119.23(17) . . ?
C60 C61 P3 118.29(14) . . ?
C12 C11 P1 128.82(14) . . ?
C12 C11 C10 122.16(17) . . ?
C10 C11 P1 108.34(13) . . ?
C15 C10 Ga1 132.68(14) . . ?
C15 C10 C11 118.72(16) . . ?
C15 C10 Ga2 118.98(15) . . ?
C11 C10 Ga1 106.98(12) . . ?
C11 C10 Ga2 122.06(15) . . ?
C10 GA1a Cl1 104.27(6) . . ?
C10 GA2b P4 107.25(12) . . ?
C31 C30 P1 120.92(15) . . ?
C31 C30 C35 118.74(19) . . ?
C10 GA1a P1 69.07(5) . . ?
C10 GA2b C65 141.65(15) . . ?
C10 GA1a C60 147.65(8) . . ?
C10 GA2b Cl2 99.70(19) . . ?
C35 C30 P1 119.73(16) . . ?
C81 C80 P3 126.07(15) . . ?
C81 C80 C85 117.54(19) . . ?
C85 C80 P3 116.37(16) . . ?
C101 C100 P4 122.51(15) . . ?
C101 C100 C105 118.3(2) . . ?
C105 C100 P4 118.22(16) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C42 C41 C40 120.41(19) . . ?
P4 C65 Ga2 68.81(9) . . ?
C64 C65 P4 125.08(14) . . ?
C64 C65 C60 120.84(17) . . ?
C64 C65 Ga2 160.21(16) . . ?
C60 C65 P4 113.69(14) . . ?
C60 C65 Ga2 45.71(11) . . ?
C21 C20 P1 124.74(17) . . ?
C21 C20 C25 119.6(2) . . ?
C25 C20 P1 115.56(16) . . ?
C41 C40 P2 124.37(15) . . ?
C41 C40 C45 118.62(17) . . ?
C45 C40 P2 116.74(14) . . ?
C95 C90 P4 114.84(15) . . ?
C91 C90 P4 126.28(17) . . ?
C91 C90 C95 118.9(2) . . ?
C52 C51 H51 119.4 . . ?
C52 C51 C50 121.2(2) . . ?
C50 C51 H51 119.4 . . ?
C71 C70 P3 123.61(15) . . ?
C71 C70 C75 118.45(18) . . ?
C75 C70 P3 117.62(14) . . ?
C103 C104 H104 119.6 . . ?
C103 C104 C105 120.9(2) . . ?
C105 C104 H104 119.6 . . ?
C70 C71 H71 119.7 . . ?
C72 C71 C70 120.61(19) . . ?
C72 C71 H71 119.7 . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C35 C34 C33 120.5(2) . . ?
C104 C103 H103 120.2 . . ?
C104 C103 C102 119.5(2) . . ?
C102 C103 H103 120.2 . . ?
C80 C81 H81 119.4 . . ?
C82 C81 C80 121.2(2) . . ?
C82 C81 H81 119.4 . . ?
C71 C72 H72 119.9 . . ?
C73 C72 C71 120.27(19) . . ?
C73 C72 H72 119.9 . . ?
C100 C101 H101 119.7 . . ?
C100 C101 C102 120.6(2) . . ?
C102 C101 H101 119.7 . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32 120.3(2) . . ?
C65 GA2b P4 42.54(6) . . ?
C32 C31 H31 119.8 . . ?
C80 C85 H85 119.4 . . ?
C84 C85 C80 121.2(2) . . ?
C84 C85 H85 119.4 . . ?
C95 C94 H94 119.9 . . ?
C95 C94 C93 120.2(2) . . ?
C93 C94 H94 119.9 . . ?
C51 C52 H52 120.0 . . ?
C51 C52 C53 120.1(2) . . ?
C53 C52 H52 120.0 . . ?
C81 C82 H82 119.9 . . ?
C83 C82 C81 120.1(2) . . ?
C83 C82 H82 119.9 . . ?
C20 C21 H21 120.2 . . ?
C20 C21 C22 119.7(2) . . ?
C22 C21 H21 120.2 . . ?
C70 C75 H75 119.6 . . ?
C74 C75 C70 120.89(18) . . ?
C74 C75 H75 119.6 . . ?
C40 C45 H45 119.4 . . ?
C44 C45 C40 121.15(18) . . ?
C44 C45 H45 119.4 . . ?
C50 C55 H55 119.6 . . ?
C54 C55 H55 119.6 . . ?
C54 C55 C50 120.9(2) . . ?
C93 C92 H92 119.6 . . ?
C93 C92 C91 120.8(2) . . ?
C91 C92 H92 119.6 . . ?
C34 C33 H33 120.1 . . ?
C34 C33 C32 119.8(2) . . ?
C32 C33 H33 120.1 . . ?
C61 C60 Ga1 122.23(13) . . ?
C61 C60 Ga2 136.58(17) . . ?
C65 C60 Ga1 117.73(13) . . ?
C65 C60 C61 119.17(17) . . ?
C65 C60 Ga2 101.06(16) . . ?
C90 C95 H95 119.7 . . ?
C94 C95 C90 120.6(2) . . ?
C94 C95 H95 119.7 . . ?
C85 C84 H84 119.9 . . ?
C83 C84 C85 120.2(2) . . ?
C83 C84 H84 119.9 . . ?
C103 C102 C101 120.2(2) . . ?
C103 C102 H102 119.9 . . ?
C101 C102 H102 119.9 . . ?
C42 C43 H43 120.1 . . ?
C42 C43 C44 119.81(19) . . ?
C44 C43 H43 120.1 . . ?
C75 C74 H74 120.1 . . ?
C75 C74 C73 119.87(19) . . ?
C73 C74 H74 120.1 . . ?
C41 C42 H42 119.8 . . ?
C43 C42 C41 120.41(18) . . ?
C43 C42 H42 119.8 . . ?
C30 C35 H35 119.7 . . ?
C34 C35 C30 120.5(2) . . ?
C34 C35 H35 119.7 . . ?
C72 C73 C74 119.90(19) . . ?
C72 C73 H73 120.1 . . ?
C74 C73 H73 120.1 . . ?
C20 C25 H25 119.8 . . ?
C24 C25 C20 120.3(2) . . ?
C24 C25 H25 119.8 . . ?
C100 C105 H105 119.7 . . ?
C104 C105 C100 120.5(2) . . ?
C104 C105 H105 119.7 . . ?
C25 C24 H24 120.0 . . ?
C25 C24 C23 120.0(2) . . ?
C23 C24 H24 120.0 . . ?
C45 C44 C43 119.59(19) . . ?
C45 C44 H44 120.2 . . ?
C43 C44 H44 120.2 . . ?
C51 C50 P2 125.60(15) . . ?
C51 C50 C55 117.9(2) . . ?
C55 C50 P2 116.50(17) . . ?
C94 C93 H93 120.2 . . ?
C92 C93 C94 119.6(2) . . ?
C92 C93 H93 120.2 . . ?
C90 C91 C92 119.9(2) . . ?
C90 C91 H91 120.0 . . ?
C92 C91 H91 120.0 . . ?
C55 C54 H54 119.9 . . ?
C53 C54 C55 120.3(2) . . ?
C53 C54 H54 119.9 . . ?
C82 C83 H83 120.2 . . ?
C60 GA1a Cl1 104.96(6) . . ?
C60 GA2b P4 75.34(11) . . ?
C60 GA1a P1 111.32(5) . . ?
C60 GA2b C10 146.05(19) . . ?
C60 GA2b C65 33.23(8) . . ?
C60 GA2b Cl2 107.7(2) . . ?
C84 C83 C82 119.6(2) . . ?
C84 C83 H83 120.2 . . ?
C24 C23 H23 120.1 . . ?
C22 C23 C24 119.8(2) . . ?
C22 C23 H23 120.1 . . ?
C52 C53 H53 120.2 . . ?
C54 C53 C52 119.7(2) . . ?
C54 C53 H53 120.2 . . ?
C31 C32 H32 119.9 . . ?
C33 C32 C31 120.2(2) . . ?
C33 C32 H32 119.9 . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.6(2) . . ?
C23 C22 H22 119.7 . . ?

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
GA1a P1 C11 C12 166.7(2) . . . . ?
C100 P4 C65 GA2b 126.46(10) . . . . ?
C90 P4 C65 GA2b -121.63(11) . . . . ?
GA1a P1 C11 C10 -3.87(12) . . . . ?
P2 C15 C10 C11 177.34(14) . . . . ?
P2 C40 C45 C44 -174.01(15) . . . . ?
P4 C100 C101 C102 -169.00(18) . . . . ?
P4 C100 C105 C104 169.45(16) . . . . ?
P4 C65 C60 C61 174.68(14) . . . . ?
P4 C90 C95 C94 -177.24(18) . . . . ?
P4 C90 C91 C92 177.82(16) . . . . ?
P3 C61 C60 C65 174.17(14) . . . . ?
P3 C80 C81 C82 -175.70(17) . . . . ?
P3 C80 C85 C84 177.51(16) . . . . ?
P3 C70 C71 C72 173.07(15) . . . . ?
P3 C70 C75 C74 -173.66(15) . . . . ?
P1 C11 C10 C15 172.38(15) . . . . ?
P1 C30 C31 C32 -171.50(18) . . . . ?
P1 C30 C35 C34 171.29(16) . . . . ?
P1 C20 C21 C22 176.30(16) . . . . ?
P1 C20 C25 C24 -175.1(2) . . . . ?
C12 C11 C10 C15 1.1(3) . . . . ?
C64 C63 C62 C61 -0.9(3) . . . . ?
C64 C65 C60 C61 1.5(3) . . . . ?
C14 C15 C10 C11 -4.2(3) . . . . ?
C13 C12 C11 P1 -167.42(16) . . . . ?
C13 C12 C11 C10 2.0(3) . . . . ?
GA1a P1 C30 C31 64.77(18) . . . . ?
GA1a P1 C30 C35 -106.17(15) . . . . ?
C13 C14 C15 P2 -177.22(15) . . . . ?
C13 C14 C15 C10 4.4(3) . . . . ?
GA2b P4 C100 C101 54.6(2) . . . . ?
GA2b P4 C100 C105 -114.14(17) . . . . ?
GA2b P4 C65 C64 163.9(2) . . . . ?
GA2b P4 C65 C60 -8.91(14) . . . . ?
GA1a P1 C20 C21 171.90(14) . . . . ?
C63 C64 C65 P4 -169.81(16) . . . . ?
C63 C64 C65 C60 2.6(3) . . . . ?
C63 C62 C61 P3 -174.41(15) . . . . ?
C63 C62 C61 C60 4.9(3) . . . . ?
C15 P2 C40 C41 97.72(17) . . . . ?
C15 P2 C40 C45 -88.38(15) . . . . ?
C15 P2 C50 C51 -10.92(19) . . . . ?
C15 P2 C50 C55 171.53(15) . . . . ?
C15 C14 C13 C12 -1.3(3) . . . . ?
C62 C61 C60 C65 -5.2(3) . . . . ?
C61 P3 C80 C81 -10.27(19) . . . . ?
C61 P3 C80 C85 171.23(15) . . . . ?
C61 P3 C70 C71 101.28(17) . . . . ?
C61 P3 C70 C75 -85.27(16) . . . . ?
C61 C60 GA2b CL2b -47.7(3) . . . . ?
C11 P1 C30 C31 -19.08(19) . . . . ?
C11 P1 C30 C35 169.99(15) . . . . ?
C11 P1 C20 C21 -104.33(18) . . . . ?
C11 P1 C20 C25 71.87(18) . . . . ?
C11 C12 C13 C14 -1.9(3) . . . . ?
C30 P1 C11 C12 -76.5(2) . . . . ?
C30 P1 C11 C10 112.88(14) . . . . ?
C30 P1 C20 C21 13.3(2) . . . . ?
C30 P1 C20 C25 -170.49(16) . . . . ?
C30 C31 C32 C33 0.4(4) . . . . ?
C80 P3 C61 C62 61.30(18) . . . . ?
C80 P3 C61 C60 -118.03(15) . . . . ?
C80 P3 C70 C71 -4.53(18) . . . . ?
C80 P3 C70 C75 168.92(15) . . . . ?
C80 C81 C82 C83 -2.4(3) . . . . ?
C80 C85 C84 C83 -1.0(3) . . . . ?
C100 P4 C65 C64 -69.60(19) . . . . ?
C100 P4 C65 C60 117.56(15) . . . . ?
C100 P4 C90 C95 -171.89(15) . . . . ?
C100 P4 C90 C91 9.9(2) . . . . ?
C100 C101 C102 C103 0.2(4) . . . . ?
C41 C40 C45 C44 0.2(3) . . . . ?
C65 P4 C100 C101 -21.22(19) . . . . ?
C65 P4 C100 C105 170.04(15) . . . . ?
C65 P4 C90 C95 76.36(16) . . . . ?
C65 P4 C90 C91 -101.82(18) . . . . ?
C65 C64 C63 C62 -2.9(3) . . . . ?
C65 C60 GA2b CL2b 110.5(2) . . . . ?
C20 P1 C11 C12 40.7(2) . . . . ?
C20 P1 C11 C10 -129.91(14) . . . . ?
C63 C64 C65 GA2b -39.5(6) . . . . ?
P2 C15 C10 GA1a -19.3(3) . . . . ?
P2 C15 C10 GA2b -8.2(2) . . . . ?
C14 C15 C10 GA1a 159.21(16) . . . . ?
C14 C15 C10 GA2b 170.29(17) . . . . ?
P3 C61 C60 GA2b -30.4(3) . . . . ?
P3 C61 C60 GA1a -16.8(2) . . . . ?
C62 C61 C60 GA2b 150.2(2) . . . . ?
C62 C61 C60 GA1a 163.87(15) . . . . ?
P1 C11 C10 GA2b -1.9(2) . . . . ?
P1 C11 C10 GA1a 5.09(16) . . . . ?
GA1a P1 C20 C25 -11.9(2) . . . . ?
GA2b P4 C90 C95 4.3(2) . . . . ?
GA2b P4 C90 C91 -173.87(16) . . . . ?
C12 C11 C10 GA1a -166.24(15) . . . . ?
C12 C11 C10 GA2b -173.21(17) . . . . ?
P4 C65 C60 GA1a 5.14(19) . . . . ?
GA2b C65 C60 C61 163.1(2) . . . . ?
P4 C65 C60 GA2b 11.63(19) . . . . ?
C64 C65 C60 GA1a -168.04(15) . . . . ?
C64 C65 C60 GA2b -161.55(19) . . . . ?
C61 C60 GA2b P4 -166.2(2) . . . . ?
C61 C60 GA2b C10 94.6(4) . . . . ?
C61 C60 GA2b C65 -158.3(3) . . . . ?
C65 C60 GA2b P4 -7.95(13) . . . . ?
C20 P1 C30 C31 -134.54(17) . . . . ?
C20 P1 C30 C35 54.52(18) . . . . ?
C20 C21 C22 C23 -1.3(3) . . . . ?
C65 C60 GA2b C10 -107.2(3) . . . . ?
C20 C25 C24 C23 -1.9(4) . . . . ?
C40 P2 C15 C14 -37.01(18) . . . . ?
C40 P2 C15 C10 141.42(15) . . . . ?
C40 P2 C50 C51 94.11(18) . . . . ?
C40 P2 C50 C55 -83.43(16) . . . . ?
C40 C41 C42 C43 -0.1(3) . . . . ?
C40 C45 C44 C43 0.5(3) . . . . ?
C90 P4 C100 C101 -129.50(17) . . . . ?
C90 P4 C100 C105 61.76(17) . . . . ?
C90 P4 C65 C64 42.30(19) . . . . ?
C90 P4 C65 C60 -130.54(15) . . . . ?
C51 C52 C53 C54 -0.9(3) . . . . ?
C70 P3 C61 C62 -42.77(18) . . . . ?
C70 P3 C61 C60 137.90(15) . . . . ?
C70 P3 C80 C81 96.01(18) . . . . ?
C70 P3 C80 C85 -82.49(16) . . . . ?
C70 C71 C72 C73 -0.1(3) . . . . ?
C70 C75 C74 C73 0.5(3) . . . . ?
C104 C103 C102 C101 -0.1(4) . . . . ?
C71 C70 C75 C74 0.1(3) . . . . ?
C71 C72 C73 C74 0.7(3) . . . . ?
C34 C33 C32 C31 0.0(4) . . . . ?
C103 C104 C105 C100 -0.1(3) . . . . ?
C81 C80 C85 C84 -1.1(3) . . . . ?
C81 C82 C83 C84 0.1(3) . . . . ?
C101 C100 C105 C104 0.2(3) . . . . ?
C31 C30 C35 C34 0.2(3) . . . . ?
C85 C80 C81 C82 2.8(3) . . . . ?
C85 C84 C83 C82 1.5(3) . . . . ?
C52 C51 C50 P2 -173.97(16) . . . . ?
C52 C51 C50 C55 3.6(3) . . . . ?
C21 C20 C25 C24 1.3(3) . . . . ?
C75 C70 C71 C72 -0.3(3) . . . . ?
C75 C74 C73 C72 -0.9(3) . . . . ?
C55 C54 C53 C52 1.8(3) . . . . ?
C33 C34 C35 C30 0.2(3) . . . . ?
C95 C90 C91 C92 -0.3(3) . . . . ?
C95 C94 C93 C92 0.2(4) . . . . ?
C42 C41 C40 P2 173.33(15) . . . . ?
C42 C41 C40 C45 -0.5(3) . . . . ?
C42 C43 C44 C45 -1.1(3) . . . . ?
C35 C30 C31 C32 -0.5(3) . . . . ?
C35 C34 C33 C32 -0.3(3) . . . . ?
C25 C20 C21 C22 0.3(3) . . . . ?
C25 C24 C23 C22 0.9(4) . . . . ?
C105 C100 C101 C102 -0.3(3) . . . . ?
C105 C104 C103 C102 0.0(3) . . . . ?
C24 C23 C22 C21 0.7(4) . . . . ?
C44 C43 C42 C41 0.9(3) . . . . ?
C50 P2 C15 C14 66.21(18) . . . . ?
C50 P2 C15 C10 -115.36(16) . . . . ?
C50 P2 C40 C41 -6.69(18) . . . . ?
C50 P2 C40 C45 167.21(15) . . . . ?
C50 C51 C52 C53 -1.8(3) . . . . ?
C50 C55 C54 C53 0.0(3) . . . . ?
C93 C94 C95 C90 -1.1(4) . . . . ?
C93 C92 C91 C90 -0.5(3) . . . . ?
C91 C90 C95 C94 1.1(3) . . . . ?
C91 C92 C93 C94 0.6(4) . . . . ?
C54 C55 C50 P2 175.11(16) . . . . ?
C54 C55 C50 C51 -2.6(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT112_meyerf210323_0ma    
;
PROBLEM: ADDSYM Detects New (Pseudo) Symm. Elem         I         98 %Fit  
RESPONSE: Any attempt to assign a higher symmetry failed. 
It can be that additional symmetry would hide structural details of interest, e.g. 
Ga-P interaction. Therefore  P21/c was chosen to show geometrical imbalance 
between the Ga center and P atoms.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_meyerf210608_0m
_database_code_depnum_ccdc_archive 'CCDC 2378088'
loop_
_audit_author_name
_audit_author_address
Daniel
;University of Bremen
Germany
;
_audit_update_record             
;
2024-09-15 deposited with the CCDC.	2024-10-08 downloaded from the CCDC.
;
_audit_creation_date             2022-12-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl4 Ga, C60 H46 Cl Ni2 P4'
_chemical_formula_sum            'C60 H46 Cl5 Ga Ni2 P4'
_chemical_formula_weight         1255.24
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   14.839(3)
_cell_length_b                   15.097(2)
_cell_length_c                   15.823(3)
_cell_angle_alpha                100.633(5)
_cell_angle_beta                 98.985(6)
_cell_angle_gamma                111.337(5)
_cell_volume                     3146.9(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9531
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      30.37
_cell_measurement_theta_min      2.26
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.366
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1472 before and 0.0715 after correction.
The Ratio of minimum to maximum transmission is 0.8374.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1276
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_av_unetI/netI     0.0605
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            43161
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.145
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10240
_reflns_number_total             12839
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX3 V2019.1-01 (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/4 (Sheldrick, 2015)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         0.609
_refine_diff_density_min         -0.509
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     667
_refine_ls_number_reflns         12839
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0373
_refine_ls_restrained_S_all      1.028
_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)+(0.0293P)²+2.3274P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0879
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Fixed Sof: Cl4(0.75) Cl5(0.75) Cl6(0.25) Cl9(0.25)
3.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C94(H94), C93(H93), C13(H13), C75(H75), C95(H95), C71(H71),
 C91(H91), C51(H51), C62(H62), C12(H12), C72(H72), C41(H41), C105(H105),
 C101(H101), C64(H64), C74(H74), C92(H92), C013(H013), C102(H102), C42(H42),
 C43(H43), C63(H63), C54(H54), C44(H44), C55(H55), C104(H104), C103(H103),
 C53(H53), C52(H52), C73(H73), C4(H4), C81(H81), C1(H1), C7(H7), C3(H3),
 C21(H21), C25(H25), C22(H22), C24(H24), C23(H23), C32(H32), C34(H34), C33(H33),
  C35(H35), C31(H31)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Ga1 Ga 0.04356(2) -0.34837(2) 0.71530(2) 0.01640(8) Uani 1 1 d . . . . .
Ni1 Ni 0.46018(2) 0.13891(2) 0.68935(2) 0.01031(8) Uani 1 1 d . . . . .
Ni2 Ni 0.40029(2) 0.28124(2) 0.65540(2) 0.01062(8) Uani 1 1 d . . . . .
Cl1 Cl 0.43371(4) 0.17728(4) 0.55974(4) 0.01078(13) Uani 1 1 d . . . . .
P4 P 0.62177(4) 0.23199(5) 0.70818(4) 0.01043(14) Uani 1 1 d . . . . .
Cl4 Cl -0.0113(5) -0.2681(7) 0.8151(4) 0.0203(9) Uani 0.75 1 d . . P A -2
P1 P 0.45005(5) 0.04279(5) 0.77548(5) 0.01560(15) Uani 1 1 d . . . . .
Cl3 Cl 0.02671(6) -0.30070(5) 0.59543(5) 0.02749(17) Uani 1 1 d . . . . .
P2 P 0.23893(5) 0.18096(5) 0.60703(5) 0.01253(14) Uani 1 1 d . . . . .
Cl2 Cl -0.04528(5) -0.50544(5) 0.68352(5) 0.02686(17) Uani 1 1 d . . . . .
P3 P 0.40654(5) 0.42251(5) 0.71763(5) 0.01296(15) Uani 1 1 d . . . . .
Cl5 Cl 0.1968(5) -0.3184(6) 0.7750(3) 0.0280(9) Uani 0.75 1 d . . P A -2
C60 C 0.53656(18) 0.36752(19) 0.70917(16) 0.0119(5) Uani 1 1 d . . . . .
C14 C 0.14394(19) 0.01411(19) 0.66734(19) 0.0177(6) Uani 1 1 d . . . . .
H14 H 0.082817 0.016608 0.641904 0.021 Uiso 1 1 calc R U . . .
C94 C 0.6891(2) 0.0885(2) 0.50086(19) 0.0220(6) Uani 1 1 d . . . . .
H94 H 0.674330 0.021872 0.472771 0.026 Uiso 1 1 calc R U . . .
C90 C 0.66989(17) 0.20738(19) 0.61234(16) 0.0121(5) Uani 1 1 d . . . . .
C93 C 0.75251(19) 0.1639(2) 0.47271(18) 0.0183(6) Uani 1 1 d . . . . .
H93 H 0.781827 0.148947 0.425757 0.022 Uiso 1 1 calc R U . . .
C100 C 0.71804(17) 0.24054(18) 0.80002(17) 0.0119(5) Uani 1 1 d . . . . .
C65 C 0.62699(18) 0.35669(18) 0.72593(16) 0.0121(5) Uani 1 1 d . . . . .
C15 C 0.23296(18) 0.07871(18) 0.65413(17) 0.0125(5) Uani 1 1 d . . . . .
C13 C 0.1425(2) -0.0534(2) 0.7165(2) 0.0212(6) Uani 1 1 d . . . . .
H13 H 0.080577 -0.097468 0.722655 0.025 Uiso 1 1 calc R U . . .
C75 C 0.2496(2) 0.46287(19) 0.6377(2) 0.0208(6) Uani 1 1 d . . . . .
H75 H 0.218813 0.444624 0.683807 0.025 Uiso 1 1 calc R U . . .
C95 C 0.64722(19) 0.1102(2) 0.56981(18) 0.0186(6) Uani 1 1 d . . . . .
H95 H 0.602667 0.058310 0.588141 0.022 Uiso 1 1 calc R U . . .
C71 C 0.3930(2) 0.5005(2) 0.57430(19) 0.0225(6) Uani 1 1 d . . . . .
H71 H 0.459896 0.507868 0.577204 0.027 Uiso 1 1 calc R U . . .
C91 C 0.73255(18) 0.28267(19) 0.58271(17) 0.0147(6) Uani 1 1 d . . . . .
H91 H 0.747471 0.349430 0.610595 0.018 Uiso 1 1 calc R U . . .
C50 C 0.14661(18) 0.21867(18) 0.64699(18) 0.0149(6) Uani 1 1 d . . . . .
C51 C 0.15892(19) 0.2467(2) 0.73865(19) 0.0184(6) Uani 1 1 d . . . . .
H51 H 0.210154 0.239128 0.776881 0.022 Uiso 1 1 calc R U . . .
C62 C 0.6260(2) 0.5477(2) 0.76395(19) 0.0189(6) Uani 1 1 d . . . . .
H62 H 0.624929 0.611264 0.776812 0.023 Uiso 1 1 calc R U . . .
C12 C 0.23028(19) -0.05705(19) 0.75661(18) 0.0176(6) Uani 1 1 d . . . . .
H12 H 0.230511 -0.100868 0.792626 0.021 Uiso 1 1 calc R U . . .
C72 C 0.3404(2) 0.5189(2) 0.5034(2) 0.0291(7) Uani 1 1 d . . . . .
H72 H 0.371091 0.539162 0.457863 0.035 Uiso 1 1 calc R U . . .
C10 C 0.32253(18) 0.07249(18) 0.69045(16) 0.0115(5) Uani 1 1 d . . . . .
C41 C 0.14711(19) 0.0351(2) 0.44398(19) 0.0211(6) Uani 1 1 d . . . . .
H41 H 0.140512 -0.012430 0.477060 0.025 Uiso 1 1 calc R U . . .
C105 C 0.79168(19) 0.2065(2) 0.78725(18) 0.0182(6) Uani 1 1 d . . . . .
H105 H 0.795131 0.181077 0.728840 0.022 Uiso 1 1 calc R U . . .
C101 C 0.7148(2) 0.2778(2) 0.88696(18) 0.0205(6) Uani 1 1 d . . . . .
H101 H 0.664610 0.300642 0.896877 0.025 Uiso 1 1 calc R U . . .
C64 C 0.71483(19) 0.44115(19) 0.76060(17) 0.0151(6) Uani 1 1 d . . . . .
H64 H 0.776397 0.434511 0.773636 0.018 Uiso 1 1 calc R U . . .
C74 C 0.1982(2) 0.4813(2) 0.5671(2) 0.0257(7) Uani 1 1 d . . . . .
H74 H 0.131994 0.476089 0.564628 0.031 Uiso 1 1 calc R U . . .
C92 C 0.77313(19) 0.2607(2) 0.51290(17) 0.0169(6) Uani 1 1 d . . . . .
H92 H 0.815278 0.312281 0.492561 0.020 Uiso 1 1 calc R U . . .
C013 C 0.2002(2) 0.2042(2) 0.43818(19) 0.0244(7) Uani 1 1 d . . . . .
H013 H 0.231005 0.272609 0.467370 0.029 Uiso 1 1 calc R U . . .
C11 C 0.31857(18) 0.00623(19) 0.74204(17) 0.0136(5) Uani 1 1 d . . . . .
C102 C 0.7842(2) 0.2815(2) 0.95838(19) 0.0246(7) Uani 1 1 d . . . . .
H102 H 0.782057 0.307605 1.017077 0.030 Uiso 1 1 calc R U . . .
C42 C 0.1132(2) 0.0048(2) 0.3523(2) 0.0304(8) Uani 1 1 d . . . . .
H42 H 0.083841 -0.063407 0.322736 0.036 Uiso 1 1 calc R U . . .
C43 C 0.1221(2) 0.0738(3) 0.3041(2) 0.0313(8) Uani 1 1 d . . . . .
H43 H 0.098864 0.052572 0.241348 0.038 Uiso 1 1 calc R U . . .
C63 C 0.7152(2) 0.5356(2) 0.77683(19) 0.0206(6) Uani 1 1 d . . . . .
H63 H 0.776808 0.591807 0.796794 0.025 Uiso 1 1 calc R U . . .
C54 C 0.0085(2) 0.2670(2) 0.6288(2) 0.0232(7) Uani 1 1 d . . . . .
H54 H -0.043394 0.274035 0.591020 0.028 Uiso 1 1 calc R U . . .
C70 C 0.34725(19) 0.47125(19) 0.64088(17) 0.0152(6) Uani 1 1 d . . . . .
C61 C 0.53854(18) 0.46297(19) 0.73150(17) 0.0139(6) Uani 1 1 d . . . . .
C44 C 0.1645(2) 0.1732(3) 0.3463(2) 0.0318(8) Uani 1 1 d . . . . .
H44 H 0.169236 0.220161 0.312827 0.038 Uiso 1 1 calc R U . . .
C55 C 0.06945(19) 0.2274(2) 0.59216(19) 0.0182(6) Uani 1 1 d . . . . .
H55 H 0.058132 0.206355 0.529584 0.022 Uiso 1 1 calc R U . . .
C104 C 0.8600(2) 0.2097(2) 0.8596(2) 0.0253(7) Uani 1 1 d . . . . .
H104 H 0.909517 0.185603 0.850329 0.030 Uiso 1 1 calc R U . . .
C103 C 0.8569(2) 0.2472(2) 0.94445(19) 0.0239(7) Uani 1 1 d . . . . .
H103 H 0.904551 0.249723 0.993530 0.029 Uiso 1 1 calc R U . . .
C40 C 0.19067(18) 0.1348(2) 0.48738(18) 0.0168(6) Uani 1 1 d . . . . .
C53 C 0.0229(2) 0.2960(2) 0.7193(2) 0.0233(7) Uani 1 1 d . . . . .
H53 H -0.018738 0.323319 0.743778 0.028 Uiso 1 1 calc R U . . .
C52 C 0.0981(2) 0.2853(2) 0.7746(2) 0.0233(7) Uani 1 1 d . . . . .
H52 H 0.107658 0.304399 0.837091 0.028 Uiso 1 1 calc R U . . .
C80 C 0.38148(18) 0.4528(2) 0.82513(17) 0.0157(6) Uani 1 1 d . . . . .
C73 C 0.2432(2) 0.5074(2) 0.5001(2) 0.0302(8) Uani 1 1 d . . . . .
H73 H 0.206443 0.517541 0.450756 0.036 Uiso 1 1 calc R U . . .
C4 C 0.3748(2) 0.4172(3) 0.9666(2) 0.0324(8) Uani 1 1 d . . . . .
H4 H 0.380804 0.377794 1.005732 0.039 Uiso 1 1 calc R U . . .
C81 C 0.3898(2) 0.3951(2) 0.88252(19) 0.0239(7) Uani 1 1 d . . . . .
H81 H 0.405771 0.340296 0.863924 0.029 Uiso 1 1 calc R U . . .
C1 C 0.3585(2) 0.5333(2) 0.8530(2) 0.0259(7) Uani 1 1 d . . . . .
H1 H 0.353221 0.573547 0.814518 0.031 Uiso 1 1 calc R U . . .
C7 C 0.3512(2) 0.4966(3) 0.9937(2) 0.0352(8) Uani 1 1 d . . . . .
H7 H 0.340279 0.511322 1.051208 0.042 Uiso 1 1 calc R U . . .
C3 C 0.3434(2) 0.5542(3) 0.9375(2) 0.0361(8) Uani 1 1 d . . . . .
H3 H 0.327525 0.608990 0.956705 0.043 Uiso 1 1 calc R U . . .
C20 C 0.48539(19) -0.0580(2) 0.7387(2) 0.0206(6) Uani 1 1 d . . . . .
C21 C 0.4137(2) -0.1535(2) 0.70697(18) 0.0195(6) Uani 1 1 d . . . . .
H21 H 0.346498 -0.166855 0.709024 0.023 Uiso 1 1 calc R U . . .
C25 C 0.5830(2) -0.0411(3) 0.7336(3) 0.0419(10) Uani 1 1 d . . . . .
H25 H 0.633584 0.023914 0.755105 0.050 Uiso 1 1 calc R U . . .
C22 C 0.4389(2) -0.2298(2) 0.6722(2) 0.0292(7) Uani 1 1 d . . . . .
H22 H 0.389124 -0.295230 0.651861 0.035 Uiso 1 1 calc R U . . .
C24 C 0.6072(3) -0.1177(3) 0.6976(3) 0.0485(11) Uani 1 1 d . . . . .
H24 H 0.673913 -0.104998 0.694047 0.058 Uiso 1 1 calc R U . . .
C23 C 0.5350(3) -0.2121(3) 0.6669(3) 0.0413(9) Uani 1 1 d . . . . .
H23 H 0.551446 -0.264782 0.642104 0.050 Uiso 1 1 calc R U . . .
C32 C 0.4761(4) 0.1871(3) 1.0265(3) 0.0717(15) Uani 1 1 d . . . . .
H32 H 0.443031 0.222361 1.055306 0.086 Uiso 1 1 calc R U . . .
C34 C 0.6051(3) 0.1270(3) 1.0352(3) 0.0671(16) Uani 1 1 d . . . . .
H34 H 0.660513 0.121890 1.069862 0.080 Uiso 1 1 calc R U . . .
C33 C 0.5568(4) 0.1785(3) 1.0733(3) 0.0688(16) Uani 1 1 d . . . . .
H33 H 0.580121 0.209865 1.134983 0.083 Uiso 1 1 calc R U . . .
C35 C 0.5718(3) 0.0814(3) 0.9438(2) 0.0489(11) Uani 1 1 d . . . . .
H35 H 0.603874 0.044268 0.915953 0.059 Uiso 1 1 calc R U . . .
C30 C 0.4917(2) 0.0911(2) 0.8947(2) 0.0300(8) Uani 1 1 d . . . . .
C31 C 0.4437(3) 0.1430(3) 0.9359(2) 0.0506(11) Uani 1 1 d . . . . .
H31 H 0.388186 0.148628 0.901989 0.061 Uiso 1 1 calc R U . . .
Cl6 Cl 0.2012(16) -0.3229(18) 0.7611(11) 0.045(4) Uani 0.25 1 d . . P A -1
Cl9 Cl 0.0060(16) -0.266(2) 0.8089(15) 0.025(3) Uani 0.25 1 d . . P A -1


_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
Ga1 Cl4 2.245(8) . ?
Ga1 Cl3 2.1598(8) . ?
Ga1 Cl2 2.1660(8) . ?
Ga1 Cl5 2.165(7) . ?
Ga1 Cl6 2.20(2) . ?
Ga1 Cl9 2.03(2) . ?
Ni1 Ni2 2.7133(5) . ?
Ni1 Cl1 2.2469(7) . ?
Ni1 P4 2.2323(8) . ?
Ni1 P1 2.1496(8) . ?
Ni1 C10 1.925(2) . ?
Ni2 Cl1 2.2191(7) . ?
Ni2 P2 2.2299(8) . ?
Ni2 P3 2.1399(8) . ?
Ni2 C60 1.910(2) . ?
P4 C90 1.808(3) . ?
P4 C100 1.821(2) . ?
P4 C65 1.822(3) . ?
P1 C11 1.782(3) . ?
P1 C20 1.810(3) . ?
P1 C30 1.808(3) . ?
P2 C15 1.814(3) . ?
P2 C50 1.818(3) . ?
P2 C40 1.819(3) . ?
P3 C70 1.805(3) . ?
P3 C61 1.790(3) . ?
P3 C80 1.810(3) . ?
C60 C65 1.401(3) . ?
C60 C61 1.407(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.401(4) . ?
C14 C13 1.388(4) . ?
C94 H94 0.9500 . ?
C94 C93 1.384(4) . ?
C94 C95 1.383(4) . ?
C90 C95 1.387(4) . ?
C90 C91 1.393(4) . ?
C93 H93 0.9500 . ?
C93 C92 1.380(4) . ?
C100 C105 1.392(4) . ?
C100 C101 1.402(4) . ?
C65 C64 1.391(4) . ?
C15 C10 1.406(3) . ?
C13 H13 0.9500 . ?
C13 C12 1.382(4) . ?
C75 H75 0.9500 . ?
C75 C74 1.383(4) . ?
C75 C70 1.400(4) . ?
C95 H95 0.9500 . ?
C71 H71 0.9500 . ?
C71 C72 1.395(4) . ?
C71 C70 1.394(4) . ?
C91 H91 0.9500 . ?
C91 C92 1.382(4) . ?
C50 C51 1.397(4) . ?
C50 C55 1.386(4) . ?
C51 H51 0.9500 . ?
C51 C52 1.378(4) . ?
C62 H62 0.9500 . ?
C62 C63 1.390(4) . ?
C62 C61 1.387(4) . ?
C12 H12 0.9500 . ?
C12 C11 1.395(4) . ?
C72 H72 0.9500 . ?
C72 C73 1.380(4) . ?
C10 C11 1.394(4) . ?
C41 H41 0.9500 . ?
C41 C42 1.387(4) . ?
C41 C40 1.388(4) . ?
C105 H105 0.9500 . ?
C105 C104 1.387(4) . ?
C101 H101 0.9500 . ?
C101 C102 1.383(4) . ?
C64 H64 0.9500 . ?
C64 C63 1.399(4) . ?
C74 H74 0.9500 . ?
C74 C73 1.381(5) . ?
C92 H92 0.9500 . ?
C013 H013 0.9500 . ?
C013 C44 1.394(4) . ?
C013 C40 1.397(4) . ?
C102 H102 0.9500 . ?
C102 C103 1.385(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.381(5) . ?
C43 H43 0.9500 . ?
C43 C44 1.380(5) . ?
C63 H63 0.9500 . ?
C54 H54 0.9500 . ?
C54 C55 1.393(4) . ?
C54 C53 1.375(4) . ?
C44 H44 0.9500 . ?
C55 H55 0.9500 . ?
C104 H104 0.9500 . ?
C104 C103 1.372(4) . ?
C103 H103 0.9500 . ?
C53 H53 0.9500 . ?
C53 C52 1.384(4) . ?
C52 H52 0.9500 . ?
C80 C81 1.390(4) . ?
C80 C1 1.393(4) . ?
C73 H73 0.9500 . ?
C4 H4 0.9500 . ?
C4 C81 1.383(4) . ?
C4 C7 1.380(5) . ?
C81 H81 0.9500 . ?
C1 H1 0.9500 . ?
C1 C3 1.388(4) . ?
C7 H7 0.9500 . ?
C7 C3 1.374(5) . ?
C3 H3 0.9500 . ?
C20 C21 1.383(4) . ?
C20 C25 1.395(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(4) . ?
C25 H25 0.9500 . ?
C25 C24 1.384(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.370(4) . ?
C24 H24 0.9500 . ?
C24 C23 1.373(5) . ?
C23 H23 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.367(7) . ?
C32 C31 1.390(5) . ?
C34 H34 0.9500 . ?
C34 C33 1.360(7) . ?
C34 C35 1.404(6) . ?
C33 H33 0.9500 . ?
C35 H35 0.9500 . ?
C35 C30 1.386(5) . ?
C30 C31 1.382(5) . ?
C31 H31 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
Cl3 Ga1 Cl4 108.8(2) . . ?
Cl3 Ga1 Cl2 108.27(3) . . ?
Cl3 Ga1 Cl5 113.23(18) . . ?
Cl3 Ga1 Cl6 108.4(5) . . ?
Cl2 Ga1 Cl4 109.8(2) . . ?
Cl2 Ga1 Cl6 108.0(7) . . ?
Cl5 Ga1 Cl4 107.5(2) . . ?
Cl5 Ga1 Cl2 109.1(2) . . ?
Cl9 Ga1 Cl3 108.4(7) . . ?
Cl9 Ga1 Cl2 114.4(7) . . ?
Cl9 Ga1 Cl6 109.3(8) . . ?
Cl1 Ni1 Ni2 52.122(18) . . ?
P4 Ni1 Ni2 94.05(2) . . ?
P4 Ni1 Cl1 87.22(3) . . ?
P1 Ni1 Ni2 141.68(3) . . ?
P1 Ni1 Cl1 155.98(3) . . ?
P1 Ni1 P4 107.31(3) . . ?
C10 Ni1 Ni2 82.86(8) . . ?
C10 Ni1 Cl1 97.46(8) . . ?
C10 Ni1 P4 170.94(8) . . ?
C10 Ni1 P1 71.04(8) . . ?
Cl1 Ni2 Ni1 53.06(2) . . ?
Cl1 Ni2 P2 88.82(3) . . ?
P2 Ni2 Ni1 94.88(2) . . ?
P3 Ni2 Ni1 141.65(2) . . ?
P3 Ni2 Cl1 154.81(3) . . ?
P3 Ni2 P2 106.31(3) . . ?
C60 Ni2 Ni1 84.06(8) . . ?
C60 Ni2 Cl1 95.24(8) . . ?
C60 Ni2 P2 173.96(8) . . ?
C60 Ni2 P3 71.52(8) . . ?
Ni2 Cl1 Ni1 74.82(2) . . ?
C90 P4 Ni1 114.06(8) . . ?
C90 P4 C100 103.34(12) . . ?
C90 P4 C65 107.95(12) . . ?
C100 P4 Ni1 122.79(8) . . ?
C100 P4 C65 104.16(11) . . ?
C65 P4 Ni1 103.47(8) . . ?
C11 P1 Ni1 85.70(9) . . ?
C11 P1 C20 111.68(12) . . ?
C11 P1 C30 109.49(14) . . ?
C20 P1 Ni1 114.80(10) . . ?
C30 P1 Ni1 121.29(10) . . ?
C30 P1 C20 110.93(15) . . ?
C15 P2 Ni2 102.03(8) . . ?
C15 P2 C50 103.46(12) . . ?
C15 P2 C40 109.16(12) . . ?
C50 P2 Ni2 119.65(9) . . ?
C50 P2 C40 105.17(12) . . ?
C40 P2 Ni2 116.27(9) . . ?
C70 P3 Ni2 112.00(9) . . ?
C70 P3 C80 110.09(13) . . ?
C61 P3 Ni2 84.88(9) . . ?
C61 P3 C70 114.91(13) . . ?
C61 P3 C80 108.67(12) . . ?
C80 P3 Ni2 124.04(9) . . ?
C65 C60 Ni2 135.6(2) . . ?
C65 C60 C61 118.5(2) . . ?
C61 C60 Ni2 105.90(17) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
C13 C14 C15 121.9(2) . . ?
C93 C94 H94 120.0 . . ?
C95 C94 H94 120.0 . . ?
C95 C94 C93 120.1(3) . . ?
C95 C90 P4 118.6(2) . . ?
C95 C90 C91 119.2(2) . . ?
C91 C90 P4 122.2(2) . . ?
C94 C93 H93 120.0 . . ?
C92 C93 C94 120.0(3) . . ?
C92 C93 H93 120.0 . . ?
C105 C100 P4 122.3(2) . . ?
C105 C100 C101 118.7(2) . . ?
C101 C100 P4 118.9(2) . . ?
C60 C65 P4 117.78(18) . . ?
C64 C65 P4 123.7(2) . . ?
C64 C65 C60 118.4(2) . . ?
C14 C15 P2 122.21(19) . . ?
C14 C15 C10 118.3(2) . . ?
C10 C15 P2 118.79(19) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 C14 120.6(2) . . ?
C12 C13 H13 119.7 . . ?
C74 C75 H75 120.2 . . ?
C74 C75 C70 119.6(3) . . ?
C70 C75 H75 120.2 . . ?
C94 C95 C90 120.4(3) . . ?
C94 C95 H95 119.8 . . ?
C90 C95 H95 119.8 . . ?
C72 C71 H71 120.1 . . ?
C70 C71 H71 120.1 . . ?
C70 C71 C72 119.8(3) . . ?
C90 C91 H91 119.9 . . ?
C92 C91 C90 120.3(2) . . ?
C92 C91 H91 119.9 . . ?
C51 C50 P2 117.48(19) . . ?
C55 C50 P2 123.8(2) . . ?
C55 C50 C51 118.6(2) . . ?
C50 C51 H51 119.4 . . ?
C52 C51 C50 121.1(2) . . ?
C52 C51 H51 119.4 . . ?
C63 C62 H62 121.4 . . ?
C61 C62 H62 121.4 . . ?
C61 C62 C63 117.2(2) . . ?
C13 C12 H12 121.4 . . ?
C13 C12 C11 117.3(2) . . ?
C11 C12 H12 121.4 . . ?
C71 C72 H72 120.4 . . ?
C73 C72 C71 119.3(3) . . ?
C73 C72 H72 120.4 . . ?
C15 C10 Ni1 134.9(2) . . ?
C11 C10 Ni1 107.05(17) . . ?
C11 C10 C15 118.1(2) . . ?
C42 C41 H41 120.0 . . ?
C42 C41 C40 120.1(3) . . ?
C40 C41 H41 120.0 . . ?
C100 C105 H105 119.9 . . ?
C104 C105 C100 120.1(3) . . ?
C104 C105 H105 119.9 . . ?
C100 C101 H101 119.8 . . ?
C102 C101 C100 120.5(3) . . ?
C102 C101 H101 119.8 . . ?
C65 C64 H64 119.0 . . ?
C65 C64 C63 121.9(2) . . ?
C63 C64 H64 119.0 . . ?
C75 C74 H74 120.0 . . ?
C73 C74 C75 119.9(3) . . ?
C73 C74 H74 120.0 . . ?
C93 C92 C91 120.1(3) . . ?
C93 C92 H92 119.9 . . ?
C91 C92 H92 119.9 . . ?
C44 C013 H013 120.0 . . ?
C44 C013 C40 120.0(3) . . ?
C40 C013 H013 120.0 . . ?
C12 C11 P1 140.3(2) . . ?
C10 C11 P1 95.95(17) . . ?
C10 C11 C12 123.7(2) . . ?
C101 C102 H102 120.0 . . ?
C101 C102 C103 120.1(3) . . ?
C103 C102 H102 120.0 . . ?
C41 C42 H42 119.9 . . ?
C43 C42 C41 120.1(3) . . ?
C43 C42 H42 119.9 . . ?
C42 C43 H43 119.7 . . ?
C44 C43 C42 120.5(3) . . ?
C44 C43 H43 119.7 . . ?
C62 C63 C64 120.5(2) . . ?
C62 C63 H63 119.8 . . ?
C64 C63 H63 119.8 . . ?
C55 C54 H54 119.7 . . ?
C53 C54 H54 119.7 . . ?
C53 C54 C55 120.6(3) . . ?
C75 C70 P3 120.6(2) . . ?
C71 C70 P3 118.3(2) . . ?
C71 C70 C75 120.0(2) . . ?
C60 C61 P3 95.14(17) . . ?
C62 C61 P3 140.8(2) . . ?
C62 C61 C60 123.4(2) . . ?
C013 C44 H44 120.2 . . ?
C43 C44 C013 119.7(3) . . ?
C43 C44 H44 120.2 . . ?
C50 C55 C54 120.0(3) . . ?
C50 C55 H55 120.0 . . ?
C54 C55 H55 120.0 . . ?
C105 C104 H104 119.6 . . ?
C103 C104 C105 120.8(3) . . ?
C103 C104 H104 119.6 . . ?
C102 C103 H103 120.1 . . ?
C104 C103 C102 119.8(3) . . ?
C104 C103 H103 120.1 . . ?
C41 C40 P2 122.9(2) . . ?
C41 C40 C013 119.6(3) . . ?
C013 C40 P2 117.5(2) . . ?
C54 C53 H53 120.1 . . ?
C54 C53 C52 119.8(3) . . ?
C52 C53 H53 120.1 . . ?
C51 C52 C53 119.8(3) . . ?
C51 C52 H52 120.1 . . ?
C53 C52 H52 120.1 . . ?
C81 C80 P3 118.0(2) . . ?
C81 C80 C1 119.6(3) . . ?
C1 C80 P3 122.4(2) . . ?
C72 C73 C74 121.4(3) . . ?
C72 C73 H73 119.3 . . ?
C74 C73 H73 119.3 . . ?
C81 C4 H4 120.0 . . ?
C7 C4 H4 120.0 . . ?
C7 C4 C81 120.0(3) . . ?
C80 C81 H81 119.9 . . ?
C4 C81 C80 120.3(3) . . ?
C4 C81 H81 119.9 . . ?
C80 C1 H1 120.3 . . ?
C3 C1 C80 119.4(3) . . ?
C3 C1 H1 120.3 . . ?
C4 C7 H7 119.9 . . ?
C3 C7 C4 120.1(3) . . ?
C3 C7 H7 119.9 . . ?
C1 C3 H3 119.7 . . ?
C7 C3 C1 120.7(3) . . ?
C7 C3 H3 119.7 . . ?
C21 C20 P1 120.3(2) . . ?
C21 C20 C25 118.1(3) . . ?
C25 C20 P1 121.4(2) . . ?
C20 C21 H21 119.7 . . ?
C20 C21 C22 120.6(3) . . ?
C22 C21 H21 119.7 . . ?
C20 C25 H25 119.6 . . ?
C24 C25 C20 120.9(3) . . ?
C24 C25 H25 119.6 . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.8(3) . . ?
C23 C22 H22 119.6 . . ?
C25 C24 H24 119.9 . . ?
C23 C24 C25 120.1(3) . . ?
C23 C24 H24 119.9 . . ?
C22 C23 C24 119.6(3) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C33 C32 H32 120.8 . . ?
C33 C32 C31 118.4(5) . . ?
C31 C32 H32 120.8 . . ?
C33 C34 H34 120.6 . . ?
C33 C34 C35 118.9(4) . . ?
C35 C34 H34 120.6 . . ?
C32 C33 H33 118.6 . . ?
C34 C33 C32 122.8(4) . . ?
C34 C33 H33 118.6 . . ?
C34 C35 H35 120.3 . . ?
C30 C35 C34 119.3(5) . . ?
C30 C35 H35 120.3 . . ?
C35 C30 P1 122.1(3) . . ?
C31 C30 P1 117.7(2) . . ?
C31 C30 C35 120.1(3) . . ?
C32 C31 H31 119.8 . . ?
C30 C31 C32 120.4(4) . . ?
C30 C31 H31 119.8 . . ?

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
Ni1 P4 C90 C95 -46.9(2) . . . . ?
Ni1 P4 C90 C91 136.27(18) . . . . ?
Ni1 P4 C100 C105 115.0(2) . . . . ?
Ni1 P4 C100 C101 -61.5(2) . . . . ?
Ni1 P4 C65 C60 -11.0(2) . . . . ?
Ni1 P4 C65 C64 164.6(2) . . . . ?
Ni1 P1 C11 C12 -179.9(3) . . . . ?
Ni1 P1 C11 C10 -3.90(15) . . . . ?
Ni1 P1 C20 C21 -108.5(2) . . . . ?
Ni1 P1 C20 C25 65.3(3) . . . . ?
Ni1 P1 C30 C35 -114.7(2) . . . . ?
Ni1 P1 C30 C31 62.2(3) . . . . ?
Ni1 C10 C11 P1 4.55(17) . . . . ?
Ni1 C10 C11 C12 -178.6(2) . . . . ?
Ni2 P2 C15 C14 157.9(2) . . . . ?
Ni2 P2 C15 C10 -12.6(2) . . . . ?
Ni2 P2 C50 C51 -54.3(2) . . . . ?
Ni2 P2 C50 C55 121.1(2) . . . . ?
Ni2 P2 C40 C41 121.0(2) . . . . ?
Ni2 P2 C40 C013 -57.9(2) . . . . ?
Ni2 P3 C70 C75 98.9(2) . . . . ?
Ni2 P3 C70 C71 -69.3(2) . . . . ?
Ni2 P3 C61 C60 -12.37(15) . . . . ?
Ni2 P3 C61 C62 177.7(3) . . . . ?
Ni2 P3 C80 C81 21.2(2) . . . . ?
Ni2 P3 C80 C1 -161.45(19) . . . . ?
Ni2 C60 C65 P4 -10.0(4) . . . . ?
Ni2 C60 C65 C64 174.1(2) . . . . ?
Ni2 C60 C61 P3 14.39(17) . . . . ?
Ni2 C60 C61 C62 -173.2(2) . . . . ?
P4 C90 C95 C94 -174.7(2) . . . . ?
P4 C90 C91 C92 175.57(19) . . . . ?
P4 C100 C105 C104 -176.4(2) . . . . ?
P4 C100 C101 C102 177.3(2) . . . . ?
P4 C65 C64 C63 -177.2(2) . . . . ?
P1 C20 C21 C22 174.8(2) . . . . ?
P1 C20 C25 C24 -173.8(3) . . . . ?
P1 C30 C31 C32 -176.1(3) . . . . ?
P2 C15 C10 Ni1 -11.1(4) . . . . ?
P2 C15 C10 C11 167.17(19) . . . . ?
P2 C50 C51 C52 173.7(2) . . . . ?
P2 C50 C55 C54 -173.0(2) . . . . ?
P3 C80 C81 C4 177.7(2) . . . . ?
P3 C80 C1 C3 -177.8(2) . . . . ?
C60 C65 C64 C63 -1.6(4) . . . . ?
C14 C15 C10 Ni1 178.1(2) . . . . ?
C14 C15 C10 C11 -3.7(4) . . . . ?
C14 C13 C12 C11 -2.9(4) . . . . ?
C94 C93 C92 C91 1.6(4) . . . . ?
C90 P4 C100 C105 -15.6(2) . . . . ?
C90 P4 C100 C101 167.9(2) . . . . ?
C90 P4 C65 C60 110.2(2) . . . . ?
C90 P4 C65 C64 -74.2(2) . . . . ?
C90 C91 C92 C93 -0.6(4) . . . . ?
C93 C94 C95 C90 -1.3(4) . . . . ?
C100 P4 C90 C95 88.8(2) . . . . ?
C100 P4 C90 C91 -88.1(2) . . . . ?
C100 P4 C65 C60 -140.4(2) . . . . ?
C100 P4 C65 C64 35.2(3) . . . . ?
C100 C105 C104 C103 -0.8(4) . . . . ?
C100 C101 C102 C103 -0.8(4) . . . . ?
C65 P4 C90 C95 -161.2(2) . . . . ?
C65 P4 C90 C91 21.9(2) . . . . ?
C65 P4 C100 C105 -128.4(2) . . . . ?
C65 P4 C100 C101 55.2(2) . . . . ?
C65 C60 C61 P3 -168.0(2) . . . . ?
C65 C60 C61 C62 4.4(4) . . . . ?
C65 C64 C63 C62 4.2(4) . . . . ?
C15 P2 C50 C51 58.2(2) . . . . ?
C15 P2 C50 C55 -126.4(2) . . . . ?
C15 P2 C40 C41 6.3(3) . . . . ?
C15 P2 C40 C013 -172.6(2) . . . . ?
C15 C14 C13 C12 1.9(4) . . . . ?
C15 C10 C11 P1 -174.2(2) . . . . ?
C15 C10 C11 C12 2.7(4) . . . . ?
C13 C14 C15 P2 -169.0(2) . . . . ?
C13 C14 C15 C10 1.5(4) . . . . ?
C13 C12 C11 P1 175.7(3) . . . . ?
C13 C12 C11 C10 0.6(4) . . . . ?
C75 C74 C73 C72 -2.3(5) . . . . ?
C95 C94 C93 C92 -0.7(4) . . . . ?
C95 C90 C91 C92 -1.3(4) . . . . ?
C71 C72 C73 C74 2.3(5) . . . . ?
C91 C90 C95 C94 2.2(4) . . . . ?
C50 P2 C15 C14 33.1(2) . . . . ?
C50 P2 C15 C10 -137.4(2) . . . . ?
C50 P2 C40 C41 -104.1(2) . . . . ?
C50 P2 C40 C013 77.0(2) . . . . ?
C50 C51 C52 C53 0.4(4) . . . . ?
C51 C50 C55 C54 2.4(4) . . . . ?
C72 C71 C70 P3 166.7(2) . . . . ?
C72 C71 C70 C75 -1.6(4) . . . . ?
C41 C42 C43 C44 -0.1(4) . . . . ?
C105 C100 C101 C102 0.7(4) . . . . ?
C105 C104 C103 C102 0.7(4) . . . . ?
C101 C100 C105 C104 0.1(4) . . . . ?
C101 C102 C103 C104 0.1(4) . . . . ?
C74 C75 C70 P3 -166.4(2) . . . . ?
C74 C75 C70 C71 1.6(4) . . . . ?
C11 P1 C20 C21 -13.1(3) . . . . ?
C11 P1 C20 C25 160.7(3) . . . . ?
C11 P1 C30 C35 148.3(2) . . . . ?
C11 P1 C30 C31 -34.8(3) . . . . ?
C42 C41 C40 P2 -179.0(2) . . . . ?
C42 C41 C40 C013 -0.1(4) . . . . ?
C42 C43 C44 C013 1.2(4) . . . . ?
C63 C62 C61 P3 166.1(3) . . . . ?
C63 C62 C61 C60 -1.9(4) . . . . ?
C54 C53 C52 C51 0.8(4) . . . . ?
C70 P3 C61 C60 -124.27(17) . . . . ?
C70 P3 C61 C62 65.8(4) . . . . ?
C70 P3 C80 C81 158.0(2) . . . . ?
C70 P3 C80 C1 -24.7(3) . . . . ?
C70 C75 C74 C73 0.3(4) . . . . ?
C70 C71 C72 C73 -0.3(4) . . . . ?
C61 P3 C70 C75 -166.4(2) . . . . ?
C61 P3 C70 C71 25.3(3) . . . . ?
C61 P3 C80 C81 -75.4(2) . . . . ?
C61 P3 C80 C1 102.0(2) . . . . ?
C61 C60 C65 P4 173.3(2) . . . . ?
C61 C60 C65 C64 -2.5(4) . . . . ?
C61 C62 C63 C64 -2.4(4) . . . . ?
C44 C013 C40 P2 -179.9(2) . . . . ?
C44 C013 C40 C41 1.1(4) . . . . ?
C55 C50 C51 C52 -2.0(4) . . . . ?
C55 C54 C53 C52 -0.4(4) . . . . ?
C40 P2 C15 C14 -78.5(2) . . . . ?
C40 P2 C15 C10 111.0(2) . . . . ?
C40 P2 C50 C51 172.7(2) . . . . ?
C40 P2 C50 C55 -11.9(3) . . . . ?
C40 C41 C42 C43 -0.4(4) . . . . ?
C40 C013 C44 C43 -1.7(4) . . . . ?
C53 C54 C55 C50 -1.3(4) . . . . ?
C80 P3 C70 C75 -43.4(2) . . . . ?
C80 P3 C70 C71 148.4(2) . . . . ?
C80 P3 C61 C60 111.90(18) . . . . ?
C80 P3 C61 C62 -58.1(4) . . . . ?
C80 C1 C3 C7 0.2(5) . . . . ?
C4 C7 C3 C1 0.4(5) . . . . ?
C81 C80 C1 C3 -0.5(4) . . . . ?
C81 C4 C7 C3 -0.6(5) . . . . ?
C1 C80 C81 C4 0.3(4) . . . . ?
C7 C4 C81 C80 0.3(4) . . . . ?
C20 P1 C11 C12 65.1(3) . . . . ?
C20 P1 C11 C10 -118.91(18) . . . . ?
C20 P1 C30 C35 24.6(3) . . . . ?
C20 P1 C30 C31 -158.5(3) . . . . ?
C20 C21 C22 C23 -1.4(5) . . . . ?
C20 C25 C24 C23 -0.5(6) . . . . ?
C21 C20 C25 C24 0.1(5) . . . . ?
C21 C22 C23 C24 1.0(5) . . . . ?
C25 C20 C21 C22 0.8(4) . . . . ?
C25 C24 C23 C22 0.0(6) . . . . ?
C34 C35 C30 P1 175.2(3) . . . . ?
C34 C35 C30 C31 -1.7(5) . . . . ?
C33 C32 C31 C30 0.6(6) . . . . ?
C33 C34 C35 C30 0.9(5) . . . . ?
C35 C34 C33 C32 0.7(6) . . . . ?
C35 C30 C31 C32 0.9(5) . . . . ?
C30 P1 C11 C12 -58.1(3) . . . . ?
C30 P1 C11 C10 117.83(18) . . . . ?
C30 P1 C20 C21 109.3(2) . . . . ?
C30 P1 C20 C25 -76.8(3) . . . . ?
C31 C32 C33 C34 -1.5(7) . . . . ?

_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 -0.445 0.000 547.5 162.6 ?
2 0.356 0.356 0.385 7.2 0.0 ?
3 0.644 0.644 0.615 7.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT220_meyerf210608_0m     
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        6.3 Ratio 
RESPONSE: The anion is disordered and refined over two positions, leading to large Ueq values
implying a wrong atom modelation. The composition of the anion was determined by spectroscopic
measurements, indicating no other atom modelation is possible.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_meyerf220425_0m
_database_code_depnum_ccdc_archive 'CCDC 2378090'
loop_
_audit_author_name
_audit_author_address
Daniel
;University of Bremen
Germany
;
_audit_update_record             
;
2024-09-15 deposited with the CCDC.	2024-10-08 downloaded from the CCDC.
;
_audit_creation_date             2022-12-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H46 Cl P4 Pt2, Cl4 Ga'
_chemical_formula_sum            'C60 H46 Cl5 Ga P4 Pt2'
_chemical_formula_weight         1528.00
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   13.4598(4)
_cell_length_b                   15.8581(4)
_cell_length_c                   16.9458(5)
_cell_angle_alpha                70.1200(10)
_cell_angle_beta                 86.2630(10)
_cell_angle_gamma                89.4130(10)
_cell_volume                     3393.97(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9653
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      33.20
_cell_measurement_theta_min      2.89
_shelx_estimated_absorpt_T_max   0.248
_shelx_estimated_absorpt_T_min   0.196
_exptl_absorpt_coefficient_mu    4.829
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.2801
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0907 before and 0.0468 after correction.
The Ratio of minimum to maximum transmission is 0.2801.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1476
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_unetI/netI     0.0175
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            86562
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         2.101
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12885
_reflns_number_total             13819
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX3 V2019.1-01 (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/4 (Sheldrick, 2015)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         0.860
_refine_diff_density_min         -1.020
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     734
_refine_ls_number_reflns         13819
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_gt           0.0202
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0279P)²+6.4061P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0546
_refine_ls_wR_factor_ref         0.0558
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C40-C41A \\sim C42A-C43 \\sim C44A-C45A
 with sigma of 0.02
 C40-C41 \\sim C42-C43 \\sim C44-C45
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C83A) = Uanis(C84A) = Uanis(C85A) = Uanis(C82A) = Uanis(C81A) =
Uanis(C80A)
Uanis(C90) = Uanis(C91) = Uanis(C92) = Uanis(C93) = Uanis(C94) = Uanis(C95)
Uanis(C30) = Uanis(C35A) = Uanis(C34A) = Uanis(C34) = Uanis(C31) = Uanis(C31A)
= Uanis(C33A) = Uanis(C33) = Uanis(C32A) = Uanis(C32) = Uanis(C35)
Uanis(C90A) = Uanis(C91A) = Uanis(C92A) = Uanis(C93A) = Uanis(C94A) =
Uanis(C95A)
Uanis(C60) = Uanis(C61) = Uanis(C62) = Uanis(C63) = Uanis(C64) = Uanis(C65)
4. Rigid body (RIGU) restrains
 C72A, C73, C74A, C75A, C70, C71A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C74, C75, C70, C71, C72, C73
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: Cl09(0.5) C41(0.5) H41(0.5) C42(0.5) H42(0.5) H43A(0.5) H43(0.5)
 C44(0.5) H44(0.5) C45(0.5) H45(0.5) H73(0.5) H73A(0.5) C72A(0.5) H72A(0.5)
 C71A(0.5) H71A(0.5) C41A(0.5) H41A(0.5) C42A(0.5) H42A(0.5) C44A(0.5)
 H44A(0.5) C45A(0.5) H45A(0.5) C81A(0.5) H81A(0.5) C82A(0.5) H82A(0.5)
 C84A(0.5) H84A(0.5) C85A(0.5) H85A(0.5) C85(0.5) H85(0.5) C81(0.5) H81(0.5)
 C84(0.5) H84(0.5) C82(0.5) H82(0.5) C83(0.5) H83(0.5) C83A(0.5) H83A(0.5)
 C93A(0.5) H93A(0.5) C92A(0.5) H92A(0.5) C93(0.5) H93(0.5) C94A(0.5) H94A(0.5)
 C92(0.5) H92(0.5) C94(0.5) H94(0.5) C90(0.5) C90A(0.5) C95(0.5) H95(0.5)
 C91A(0.5) H91A(0.5) C91(0.5) H91(0.5) C95A(0.5) H95A(0.5) C75(0.5) H75(0.5)
 C75A(0.5) H75A(0.5) C71(0.5) H71(0.5) C74(0.5) H74(0.5) C74A(0.5) H74A(0.5)
 C72(0.5) H72(0.5) C32A(0.5) H32A(0.5) C33A(0.5) H33A(0.5) C33(0.5) H33(0.5)
 C34A(0.5) H34A(0.5) C32(0.5) H32(0.5) C35A(0.5) H35A(0.5) C34(0.5) H34(0.5)
 C31A(0.5) H31A(0.5) C35(0.5) H35(0.5) C31(0.5) H31(0.5) Cl4(0.5) Cl2(0.5)
 Cl3(0.5) Ga4(0.5) Cl5(0.5) Ga7(0.5) Cl8(0.5) Cl9(0.5) Cl11(0.5) C80(0.5)
 C80A(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C101(H101), C104(H104), C13(H13), C105(H105), C63(H63), C54(H54), C14(H14),
 C12(H12), C51(H51), C25(H25), C62(H62), C64(H64), C55(H55), C102(H102),
 C103(H103), C41(H41), C42(H42), C43(H43A), C43(H43), C44(H44), C45(H45),
 C24(H24), C53(H53), C22(H22), C23(H23), C73(H73), C73(H73A), C52(H52),
 C21(H21), C72A(H72A), C71A(H71A), C41A(H41A), C42A(H42A), C44A(H44A),
 C45A(H45A), C81A(H81A), C82A(H82A), C84A(H84A), C85A(H85A), C85(H85), C81(H81),
  C84(H84), C82(H82), C83(H83), C83A(H83A), C93A(H93A), C92A(H92A), C93(H93),
 C94A(H94A), C92(H92), C94(H94), C95(H95), C91A(H91A), C91(H91), C95A(H95A),
 C75(H75), C75A(H75A), C71(H71), C74(H74), C74A(H74A), C72(H72), C32A(H32A),
 C33A(H33A), C33(H33), C34A(H34A), C32(H32), C35A(H35A), C34(H34), C31A(H31A),
 C35(H35), C31(H31)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Pt2 Pt 0.61786(2) 0.18790(2) 0.32816(2) 0.01103(3) Uani 1 1 d . . . . .
Pt1 Pt 0.56974(2) 0.35748(2) 0.33816(2) 0.01252(3) Uani 1 1 d . . . . .
Cl1 Cl 0.50787(5) 0.21278(4) 0.43649(4) 0.01529(12) Uani 1 1 d . . . . .
P2 P 0.74387(5) 0.16863(4) 0.42045(4) 0.01109(13) Uani 1 1 d . . . . .
P3 P 0.66165(5) 0.13217(5) 0.22691(4) 0.01514(14) Uani 1 1 d . . . . .
P1 P 0.63979(5) 0.49278(4) 0.30126(4) 0.01395(13) Uani 1 1 d . . . . .
P4 P 0.42192(5) 0.36358(5) 0.27178(5) 0.01886(15) Uani 1 1 d . . . . .
Cl09 Cl 1.2042(9) -0.2156(7) 0.1989(8) 0.044(2) Uani 0.5 1 d . . P A -2
C65 C 0.4362(2) 0.27955(19) 0.2203(2) 0.0260(3) Uani 1 1 d . . . . .
C61 C 0.5417(2) 0.16980(19) 0.1861(2) 0.0260(3) Uani 1 1 d . . . . .
C15 C 0.7739(2) 0.28117(17) 0.41909(16) 0.0131(5) Uani 1 1 d . . . . .
C60 C 0.5165(2) 0.21952(19) 0.2390(2) 0.0260(3) Uani 1 1 d . . . . .
C101 C 0.4654(2) 0.4969(2) 0.11951(19) 0.0219(6) Uani 1 1 d . . . . .
H101 H 0.523515 0.462789 0.118312 0.026 Uiso 1 1 calc R U . . .
C104 C 0.2957(2) 0.5967(2) 0.1221(2) 0.0269(7) Uani 1 1 d . . . . .
H104 H 0.237455 0.630918 0.122816 0.032 Uiso 1 1 calc R U . . .
C13 C 0.8896(2) 0.3925(2) 0.4326(2) 0.0243(6) Uani 1 1 d . . . . .
H13 H 0.949425 0.405142 0.453534 0.029 Uiso 1 1 calc R U . . .
C100 C 0.3939(2) 0.46612(18) 0.18642(19) 0.0178(6) Uani 1 1 d . . . . .
C50 C 0.7103(2) 0.09997(17) 0.52897(17) 0.0142(5) Uani 1 1 d . . . . .
C105 C 0.3085(2) 0.51663(19) 0.18732(19) 0.0211(6) Uani 1 1 d . . . . .
H105 H 0.259213 0.496239 0.232563 0.025 Uiso 1 1 calc R U . . .
C63 C 0.4032(2) 0.22570(19) 0.1050(2) 0.0260(3) Uani 1 1 d . . . . .
H63 H 0.361170 0.225437 0.062166 0.031 Uiso 1 1 calc R U . . .
C10 C 0.70753(19) 0.35095(18) 0.38305(16) 0.0127(5) Uani 1 1 d . . . . .
C54 C 0.6357(3) -0.0373(2) 0.6250(2) 0.0322(8) Uani 1 1 d . . . . .
H54 H 0.600631 -0.092018 0.634902 0.039 Uiso 1 1 calc R U . . .
C14 C 0.8639(2) 0.30380(19) 0.44467(18) 0.0198(6) Uani 1 1 d . . . . .
H14 H 0.908592 0.257463 0.470878 0.024 Uiso 1 1 calc R U . . .
C12 C 0.8285(2) 0.46326(19) 0.39020(17) 0.0181(6) Uani 1 1 d . . . . .
H12 H 0.847608 0.524104 0.378073 0.022 Uiso 1 1 calc R U . . .
C70 C 0.7571(2) 0.18283(18) 0.14465(17) 0.0178(6) Uani 1 1 d . . . . .
C20 C 0.6907(2) 0.54966(19) 0.19542(17) 0.0171(6) Uani 1 1 d . . . . .
C51 C 0.7393(2) 0.12206(19) 0.59659(17) 0.0176(6) Uani 1 1 d . . . . .
H51 H 0.774468 0.176605 0.587162 0.021 Uiso 1 1 calc R U . . .
C25 C 0.7134(2) 0.4986(2) 0.14380(19) 0.0219(6) Uani 1 1 d . . . . .
H25 H 0.698970 0.436056 0.163688 0.026 Uiso 1 1 calc R U . . .
C62 C 0.4869(2) 0.17106(19) 0.1190(2) 0.0260(3) Uani 1 1 d . . . . .
H62 H 0.505375 0.136530 0.084364 0.031 Uiso 1 1 calc R U . . .
C64 C 0.3798(2) 0.28056(19) 0.1525(2) 0.0260(3) Uani 1 1 d . . . . .
H64 H 0.324673 0.319577 0.139020 0.031 Uiso 1 1 calc R U . . .
C55 C 0.6564(2) 0.01999(19) 0.54365(19) 0.0225(6) Uani 1 1 d . . . . .
H55 H 0.634405 0.005379 0.497692 0.027 Uiso 1 1 calc R U . . .
C102 C 0.4524(3) 0.5770(2) 0.0547(2) 0.0265(7) Uani 1 1 d . . . . .
H102 H 0.501632 0.597802 0.009383 0.032 Uiso 1 1 calc R U . . .
C103 C 0.3672(3) 0.6269(2) 0.0560(2) 0.0285(7) Uani 1 1 d . . . . .
H103 H 0.358040 0.681701 0.011599 0.034 Uiso 1 1 calc R U . . .
C40 C 0.8602(2) 0.11980(19) 0.39561(17) 0.0167(6) Uani 1 1 d D . . . .
C41 C 0.9179(5) 0.1707(4) 0.3180(5) 0.0228(13) Uani 0.5 1 d D . P B 2
H41 H 0.897286 0.228678 0.284652 0.027 Uiso 0.5 1 calc R U P B 2
C42 C 1.0032(6) 0.1332(5) 0.2939(6) 0.0320(16) Uani 0.5 1 d D . P B 2
H42 H 1.043537 0.164794 0.244743 0.038 Uiso 0.5 1 calc R U P B 2
C43 C 1.0290(3) 0.0388(3) 0.3501(3) 0.0453(11) Uani 1 1 d D . . . .
H43A H 1.080711 0.006930 0.332192 0.054 Uiso 0.5 1 calc R U P B 2
H43 H 1.086270 0.013057 0.332098 0.054 Uiso 0.5 1 calc R U P B 1
C44 C 0.9840(5) 0.0047(5) 0.4171(4) 0.0258(13) Uani 0.5 1 d D . P B 2
H44 H 1.008481 -0.049630 0.454536 0.031 Uiso 0.5 1 calc R U P B 2
C45 C 0.8965(5) 0.0410(4) 0.4431(4) 0.0224(13) Uani 0.5 1 d D . P B 2
H45 H 0.862654 0.008823 0.495552 0.027 Uiso 0.5 1 calc R U P B 2
C11 C 0.7389(2) 0.44011(18) 0.36680(16) 0.0138(5) Uani 1 1 d . . . . .
C24 C 0.7573(2) 0.5397(2) 0.0632(2) 0.0279(7) Uani 1 1 d . . . . .
H24 H 0.771557 0.505616 0.027415 0.033 Uiso 1 1 calc R U . . .
C53 C 0.6659(3) -0.0152(2) 0.6923(2) 0.0342(8) Uani 1 1 d . . . . .
H53 H 0.651456 -0.054754 0.748173 0.041 Uiso 1 1 calc R U . . .
C30 C 0.5696(2) 0.57115(19) 0.33848(19) 0.0214(4) Uani 1 1 d . . . . .
C22 C 0.7575(2) 0.6809(2) 0.0860(2) 0.0276(7) Uani 1 1 d . . . . .
H22 H 0.772514 0.743299 0.065861 0.033 Uiso 1 1 calc R U . . .
C23 C 0.7799(2) 0.6303(2) 0.03522(19) 0.0288(7) Uani 1 1 d . . . . .
H23 H 0.811168 0.657999 -0.019369 0.035 Uiso 1 1 calc R U . . .
C73 C 0.9019(3) 0.2614(2) 0.0172(2) 0.0314(7) Uani 1 1 d . . . . .
H73 H 0.950134 0.289483 -0.027340 0.038 Uiso 0.5 1 calc R U P C -2
H73A H 0.956393 0.285100 -0.022597 0.038 Uiso 0.5 1 calc R U P D -1
C52 C 0.7168(2) 0.0642(2) 0.67828(19) 0.0267(7) Uani 1 1 d . . . . .
H52 H 0.736669 0.079434 0.724576 0.032 Uiso 1 1 calc R U . . .
C21 C 0.7129(2) 0.6409(2) 0.16655(19) 0.0217(6) Uani 1 1 d . . . . .
H21 H 0.697779 0.675733 0.201526 0.026 Uiso 1 1 calc R U . . .
C72A C 0.8400(9) 0.2102(6) 0.0033(7) 0.025(2) Uani 0.5 1 d . . P E -2
H72A H 0.843567 0.199096 -0.048457 0.030 Uiso 0.5 1 calc R U P E -2
C71A C 0.7659(8) 0.1702(5) 0.0660(6) 0.0178(18) Uani 0.5 1 d . . P E -2
H71A H 0.718538 0.132107 0.055174 0.021 Uiso 0.5 1 calc R U P E -2
C41A C 0.9436(5) 0.1632(4) 0.3604(5) 0.0204(13) Uani 0.5 1 d D . P B 1
H41A H 0.946876 0.226157 0.348448 0.024 Uiso 0.5 1 calc R U P B 1
C42A C 1.0267(5) 0.1203(5) 0.3400(5) 0.0265(15) Uani 0.5 1 d D . P B 1
H42A H 1.085318 0.155157 0.316949 0.032 Uiso 0.5 1 calc R U P B 1
C44A C 0.9354(5) -0.0199(4) 0.3932(4) 0.0271(14) Uani 0.5 1 d D . P B 1
H44A H 0.934611 -0.082868 0.404561 0.032 Uiso 0.5 1 calc R U P B 1
C45A C 0.8549(5) 0.0228(4) 0.4140(4) 0.0212(12) Uani 0.5 1 d D . P B 1
H45A H 0.795905 -0.009985 0.440041 0.025 Uiso 0.5 1 calc R U P B 1
C81A C 0.7698(5) -0.0252(4) 0.2247(5) 0.0207(6) Uani 0.5 1 d . . P F -2
H81A H 0.811606 0.011475 0.178751 0.025 Uiso 0.5 1 calc R U P F -2
C82A C 0.7863(5) -0.1175(4) 0.2581(4) 0.0207(6) Uani 0.5 1 d . . P F -2
H82A H 0.840070 -0.142731 0.234930 0.025 Uiso 0.5 1 calc R U P F -2
C84A C 0.6468(6) -0.1356(5) 0.3578(4) 0.0207(6) Uani 0.5 1 d . . P F -2
H84A H 0.604260 -0.172795 0.402808 0.025 Uiso 0.5 1 calc R U P F -2
C85A C 0.6297(5) -0.0435(4) 0.3253(4) 0.0207(6) Uani 0.5 1 d . . P F -2
H85A H 0.575582 -0.018070 0.347907 0.025 Uiso 0.5 1 calc R U P F -2
C85 C 0.5830(5) -0.0406(4) 0.2981(5) 0.0256(13) Uani 0.5 1 d . . P G -1
H85 H 0.519371 -0.013592 0.293477 0.031 Uiso 0.5 1 calc R U P G -1
C81 C 0.7621(5) -0.0259(4) 0.2759(5) 0.0300(15) Uani 0.5 1 d . . P G -1
H81 H 0.820779 0.010003 0.256822 0.036 Uiso 0.5 1 calc R U P G -1
C84 C 0.5919(6) -0.1324(4) 0.3362(5) 0.0326(15) Uani 0.5 1 d . . P G -1
H84 H 0.534069 -0.168888 0.357548 0.039 Uiso 0.5 1 calc R U P G -1
C82 C 0.7677(6) -0.1205(5) 0.3151(6) 0.044(2) Uani 0.5 1 d . . P G -1
H82 H 0.830798 -0.148521 0.321646 0.053 Uiso 0.5 1 calc R U P G -1
C83 C 0.6839(6) -0.1705(5) 0.3431(5) 0.0315(18) Uani 0.5 1 d . . P G -1
H83 H 0.688988 -0.233708 0.368191 0.038 Uiso 0.5 1 calc R U P G -1
C83A C 0.7253(6) -0.1730(5) 0.3247(5) 0.0207(6) Uani 0.5 1 d . . P F -2
H83A H 0.737346 -0.235508 0.347071 0.025 Uiso 0.5 1 calc R U P F -2
C93A C 0.1553(5) 0.2769(5) 0.4579(4) 0.0204(8) Uani 0.5 1 d . . P H 1
H93A H 0.101948 0.257982 0.499836 0.025 Uiso 0.5 1 calc R U P H 1
C92A C 0.2064(5) 0.3550(5) 0.4475(4) 0.0204(8) Uani 0.5 1 d . . P H 1
H92A H 0.187588 0.390772 0.480921 0.025 Uiso 0.5 1 calc R U P H 1
C93 C 0.1554(5) 0.3126(5) 0.4756(4) 0.0248(9) Uani 0.5 1 d . . P I 2
H93 H 0.102061 0.302446 0.517399 0.030 Uiso 0.5 1 calc R U P I 2
C94A C 0.1806(4) 0.2249(4) 0.4079(4) 0.0204(8) Uani 0.5 1 d . . P H 1
H94A H 0.144376 0.171158 0.416186 0.025 Uiso 0.5 1 calc R U P H 1
C92 C 0.2122(5) 0.3914(5) 0.4534(4) 0.0248(9) Uani 0.5 1 d . . P I 2
H92 H 0.197133 0.434898 0.479464 0.030 Uiso 0.5 1 calc R U P I 2
C94 C 0.1756(5) 0.2491(5) 0.4377(5) 0.0248(9) Uani 0.5 1 d . . P I 2
H94 H 0.137828 0.194939 0.454394 0.030 Uiso 0.5 1 calc R U P I 2
C90 C 0.3114(7) 0.3435(7) 0.3520(5) 0.0248(9) Uani 0.5 1 d . . P I 2
C90A C 0.3119(7) 0.3304(6) 0.3366(5) 0.0204(8) Uani 0.5 1 d . . P H 1
C95 C 0.2535(5) 0.2660(5) 0.3737(5) 0.0248(9) Uani 0.5 1 d . . P I 2
H95 H 0.266209 0.224108 0.345479 0.030 Uiso 0.5 1 calc R U P I 2
C91A C 0.2872(6) 0.3812(5) 0.3865(5) 0.0204(8) Uani 0.5 1 d . . P H 1
H91A H 0.324495 0.433991 0.379859 0.025 Uiso 0.5 1 calc R U P H 1
C91 C 0.2910(6) 0.4056(5) 0.3928(5) 0.0248(9) Uani 0.5 1 d . . P I 2
H91 H 0.331365 0.458098 0.378944 0.030 Uiso 0.5 1 calc R U P I 2
C95A C 0.2587(5) 0.2511(4) 0.3456(4) 0.0204(8) Uani 0.5 1 d . . P H 1
H95A H 0.275297 0.216670 0.310570 0.025 Uiso 0.5 1 calc R U P H 1
C75 C 0.7943(6) 0.2627(5) 0.1384(5) 0.0206(15) Uani 0.5 1 d . . P E -1
H75 H 0.772221 0.292035 0.176627 0.025 Uiso 0.5 1 calc R U P E -1
C75A C 0.8347(6) 0.2419(5) 0.1549(5) 0.0227(15) Uani 0.5 1 d . . P E -2
H75A H 0.834978 0.253284 0.206464 0.027 Uiso 0.5 1 calc R U P E -2
C71 C 0.7759(8) 0.1396(6) 0.0876(6) 0.0209(19) Uani 0.5 1 d . . P E -1
H71 H 0.741948 0.085867 0.091729 0.025 Uiso 0.5 1 calc R U P E -1
C74 C 0.8660(6) 0.3010(6) 0.0745(5) 0.0279(17) Uani 0.5 1 d . . P E -1
H74 H 0.892357 0.358081 0.069544 0.033 Uiso 0.5 1 calc R U P E -1
C74A C 0.9076(7) 0.2818(6) 0.0916(5) 0.0308(18) Uani 0.5 1 d . . P E -2
H74A H 0.957932 0.320113 0.097956 0.037 Uiso 0.5 1 calc R U P E -2
C72 C 0.8474(8) 0.1791(7) 0.0238(6) 0.025(2) Uani 0.5 1 d . . P E -1
H72 H 0.862022 0.151962 -0.017598 0.030 Uiso 0.5 1 calc R U P E -1
C32A C 0.5101(5) 0.6234(5) 0.4463(5) 0.0214(4) Uani 0.5 1 d . . P J -1
H32A H 0.517698 0.627492 0.500231 0.026 Uiso 0.5 1 calc R U P J -1
C33A C 0.4315(5) 0.6668(5) 0.3994(5) 0.0214(4) Uani 0.5 1 d . . P J -1
H33A H 0.384293 0.698824 0.422054 0.026 Uiso 0.5 1 calc R U P J -1
C33 C 0.4543(5) 0.6738(5) 0.4155(5) 0.0214(4) Uani 0.5 1 d . . P J -2
H33 H 0.413742 0.708002 0.441049 0.026 Uiso 0.5 1 calc R U P J -2
C34A C 0.4224(6) 0.6629(5) 0.3190(4) 0.0214(4) Uani 0.5 1 d . . P J -1
H34A H 0.368971 0.692517 0.287023 0.026 Uiso 0.5 1 calc R U P J -1
C32 C 0.5392(5) 0.6355(5) 0.4525(5) 0.0214(4) Uani 0.5 1 d . . P J -2
H32 H 0.557652 0.644703 0.502149 0.026 Uiso 0.5 1 calc R U P J -2
C35A C 0.4907(7) 0.6160(6) 0.2856(4) 0.0214(4) Uani 0.5 1 d . . P J -1
H35A H 0.486203 0.613408 0.230756 0.026 Uiso 0.5 1 calc R U P J -1
C34 C 0.4269(6) 0.6640(5) 0.3436(4) 0.0214(4) Uani 0.5 1 d . . P J -2
H34 H 0.368722 0.692541 0.318567 0.026 Uiso 0.5 1 calc R U P J -2
C31A C 0.5779(5) 0.5737(6) 0.4140(6) 0.0214(4) Uani 0.5 1 d . . P J -1
H31A H 0.629736 0.542079 0.446880 0.026 Uiso 0.5 1 calc R U P J -1
C35 C 0.4842(7) 0.6117(6) 0.3057(4) 0.0214(4) Uani 0.5 1 d . . P J -2
H35 H 0.463046 0.604409 0.256006 0.026 Uiso 0.5 1 calc R U P J -2
C31 C 0.5981(5) 0.5833(6) 0.4171(6) 0.0214(4) Uani 0.5 1 d . . P J -2
H31 H 0.656073 0.555574 0.443069 0.026 Uiso 0.5 1 calc R U P J -2
Cl4 Cl 1.11298(19) -0.42445(15) 0.34012(17) 0.0505(6) Uani 0.5 1 d . . P A -2
Cl2 Cl 1.0522(3) -0.40527(16) 0.36046(16) 0.0740(10) Uani 0.5 1 d . . P K -1
Cl3 Cl 1.02931(18) -0.17863(17) 0.34886(16) 0.0281(5) Uani 0.5 1 d . . P K -1
Ga4 Ga 1.0603(2) -0.26693(16) 0.27651(18) 0.0217(4) Uani 0.5 1 d . . P K -1
Cl5 Cl 1.0240(2) -0.21909(17) 0.35683(16) 0.0296(5) Uani 0.5 1 d . . P A -2
Ga7 Ga 1.0735(2) -0.28773(17) 0.2710(2) 0.0220(4) Uani 0.5 1 d . . P A -2
Cl8 Cl 0.9545(2) -0.2438(2) 0.18025(18) 0.0381(6) Uani 0.5 1 d . . P K -1
Cl9 Cl 0.9552(2) -0.2867(2) 0.1897(2) 0.0414(7) Uani 0.5 1 d . . P A -2
Cl11 Cl 1.2077(8) -0.2334(7) 0.2136(8) 0.054(2) Uani 0.5 1 d . . P K -1
C80 C 0.6698(4) 0.0121(4) 0.2664(4) 0.0070(13) Uiso 0.5 1 d . . P G -1
C80A C 0.6944(6) 0.0119(5) 0.2580(5) 0.0207(6) Uani 0.5 1 d . . P F -2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt2 Pt1 2.81784(15) . ?
Pt2 Cl1 2.4175(6) . ?
Pt2 P2 2.3293(7) . ?
Pt2 P3 2.2273(7) . ?
Pt2 C60 2.034(3) . ?
C41b H41 0.9500 . ?
C41b C42 1.389(9) . ?
C42b H42 0.9500 . ?
C42b C43 1.528(8) . ?
C44b H44 0.9500 . ?
C44b C45 1.416(8) . ?
C45b H45 0.9500 . ?
C41Aa H41A 0.9500 . ?
C41Aa C42A 1.389(9) . ?
C42Aa H42A 0.9500 . ?
C44Aa H44A 0.9500 . ?
C44Aa C45A 1.362(8) . ?
C45Aa H45A 0.9500 . ?
C93Aa H93A 0.9500 . ?
C93Aa C92A 1.376(10) . ?
C92Aa H92A 0.9500 . ?
C93b H93 0.9500 . ?
C93Aa C94A 1.394(10) . ?
C94Aa H94A 0.9500 . ?
C93b C92 1.396(10) . ?
C92b H92 0.9500 . ?
C93b C94 1.382(10) . ?
C94b H94 0.9500 . ?
C94b C95 1.417(10) . ?
C90b C95 1.388(11) . ?
C95b H95 0.9500 . ?
C92Aa C91A 1.413(10) . ?
C90Aa C91A 1.377(9) . ?
C91Aa H91A 0.9500 . ?
C92b C91 1.392(10) . ?
C90b C91 1.398(10) . ?
C91b H91 0.9500 . ?
C90Aa C95A 1.411(10) . ?
C94Aa C95A 1.399(9) . ?
C95Aa H95A 0.9500 . ?
Pt1 Cl1 2.4481(6) . ?
Pt1 P1 2.2217(7) . ?
Pt1 P4 2.3339(7) . ?
Pt1 C10 2.039(3) . ?
P2 C15 1.826(3) . ?
P2 C50 1.820(3) . ?
P2 C40 1.827(3) . ?
P3 C61 1.812(3) . ?
P3 C70 1.807(3) . ?
P3 C80 1.795(7) . ?
P3 C80A 1.854(8) . ?
P1 C20 1.804(3) . ?
P1 C11 1.802(3) . ?
P1 C30 1.807(3) . ?
P4 C65 1.827(3) . ?
P4 C100 1.827(3) . ?
P4 C90 1.901(9) . ?
P4 C90A 1.757(9) . ?
Cl09 Ga7 2.170(11) . ?
C65 C60 1.412(4) . ?
C65 C64 1.413(4) . ?
C61 C60 1.405(5) . ?
C61 C62 1.390(4) . ?
C15 C10 1.409(4) . ?
C15 C14 1.403(4) . ?
C101 H101 0.9500 . ?
C101 C100 1.393(4) . ?
C101 C102 1.387(4) . ?
C104 H104 0.9500 . ?
C104 C105 1.390(4) . ?
C104 C103 1.383(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.395(4) . ?
C13 C12 1.400(4) . ?
C100 C105 1.396(4) . ?
C50 C51 1.387(4) . ?
C50 C55 1.406(4) . ?
C105 H105 0.9500 . ?
C63 H63 0.9500 . ?
C63 C62 1.397(4) . ?
C63 C64 1.393(5) . ?
C10 C11 1.409(4) . ?
C54 H54 0.9500 . ?
C54 C55 1.381(4) . ?
C54 C53 1.387(5) . ?
C14 H14 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.385(4) . ?
C70 C71A 1.411(11) . ?
C70 C75 1.334(8) . ?
C70 C75A 1.468(8) . ?
C70 C71 1.374(10) . ?
C20 C25 1.399(4) . ?
C20 C21 1.389(4) . ?
C51 H51 0.9500 . ?
C51 C52 1.392(4) . ?
C25 H25 0.9500 . ?
C25 C24 1.392(4) . ?
C62 H62 0.9500 . ?
C64 H64 0.9500 . ?
C55 H55 0.9500 . ?
C102 H102 0.9500 . ?
C102 C103 1.390(5) . ?
C103 H103 0.9500 . ?
C40 C41 1.463(7) . ?
C40 C45 1.343(7) . ?
C40 C41A 1.319(7) . ?
C40 C45A 1.463(7) . ?
C43 H43A 0.9500 . ?
C43 H43 0.9500 . ?
C43 C44 1.202(8) . ?
C43 C42A 1.244(8) . ?
C43 C44A 1.558(8) . ?
C24 H24 0.9500 . ?
C24 C23 1.381(5) . ?
C53 H53 0.9500 . ?
C53 C52 1.380(5) . ?
C30 C35A 1.453(9) . ?
C30 C31A 1.306(10) . ?
C30 C35 1.366(10) . ?
C30 C31 1.483(10) . ?
C22 H22 0.9500 . ?
C22 C23 1.380(5) . ?
C22 C21 1.392(4) . ?
C23 H23 0.9500 . ?
C73 H73 0.9500 . ?
C73 H73A 0.9500 . ?
C73 C72A 1.256(13) . ?
C73 C74 1.386(9) . ?
C73 C74A 1.411(10) . ?
C73 C72 1.471(11) . ?
C52 H52 0.9500 . ?
C21 H21 0.9500 . ?
C72A H72A 0.9500 . ?
C72A C71A 1.394(14) . ?
C71A H71A 0.9500 . ?
C81A H81A 0.9500 . ?
C81A C82A 1.399(8) . ?
C81A C80A 1.354(10) . ?
C82A H82A 0.9500 . ?
C82A C83A 1.393(10) . ?
C84A H84A 0.9500 . ?
C84A C85A 1.396(9) . ?
C84A C83A 1.385(10) . ?
C85A H85A 0.9500 . ?
C85A C80A 1.428(10) . ?
C85 H85 0.9500 . ?
C85 C84 1.385(9) . ?
C85 C80 1.409(8) . ?
C81 H81 0.9500 . ?
C81 C82 1.423(10) . ?
C81 C80 1.370(8) . ?
C84 H84 0.9500 . ?
C84 C83 1.367(11) . ?
C82 H82 0.9500 . ?
C82 C83 1.349(11) . ?
C83 H83 0.9500 . ?
C83A H83A 0.9500 . ?
C75 H75 0.9500 . ?
C75 C74 1.378(11) . ?
C75A H75A 0.9500 . ?
C75A C74A 1.389(11) . ?
C71 H71 0.9500 . ?
C71 C72 1.378(13) . ?
C74 H74 0.9500 . ?
C74A H74A 0.9500 . ?
C72 H72 0.9500 . ?
C32A H32A 0.9500 . ?
C32A C33A 1.396(9) . ?
C32A C31A 1.403(11) . ?
C33A H33A 0.9500 . ?
C33A C34A 1.398(9) . ?
C33 H33 0.9500 . ?
C33 C32 1.374(9) . ?
C33 C34 1.355(9) . ?
C34A H34A 0.9500 . ?
C34A C35A 1.387(10) . ?
C32 H32 0.9500 . ?
C32 C31 1.392(11) . ?
C35A H35A 0.9500 . ?
C34 H34 0.9500 . ?
C34 C35 1.407(10) . ?
C31A H31A 0.9500 . ?
C35 H35 0.9500 . ?
C31 H31 0.9500 . ?
Cl4 Ga7 2.165(3) . ?
Cl2 Ga4 2.170(3) . ?
Cl3 Ga4 2.174(3) . ?
Ga4 Cl8 2.170(4) . ?
Ga4 Cl11 2.171(11) . ?
Cl5 Ga7 2.164(3) . ?
Ga7 Cl9 2.167(4) . ?

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
Cl1 Pt2 Pt1 55.121(15) . . ?
C95b C90b P4 120.9(6) . . ?
C95Aa C90Aa P4 123.0(5) . . ?
P2 Pt2 Pt1 92.108(16) . . ?
P2 Pt2 Cl1 86.72(2) . . ?
P3 Pt2 Pt1 136.703(18) . . ?
P3 Pt2 Cl1 155.54(2) . . ?
P3 Pt2 P2 110.92(2) . . ?
C60 Pt2 Pt1 83.68(9) . . ?
C60 Pt2 Cl1 95.56(11) . . ?
C60 Pt2 P2 172.82(9) . . ?
C60 Pt2 P3 69.08(10) . . ?
Cl1 Pt1 Pt2 54.103(15) . . ?
P1 Pt1 Pt2 138.020(18) . . ?
P1 Pt1 Cl1 155.54(2) . . ?
P1 Pt1 P4 110.75(2) . . ?
P4 Pt1 Pt2 92.660(19) . . ?
P4 Pt1 Cl1 86.14(2) . . ?
C91b C90b P4 119.5(6) . . ?
C91Aa C90Aa P4 115.2(6) . . ?
C42b C41b C40 119.1(6) . . ?
C44Aa C45Aa C40 119.3(6) . . ?
C42b C41b H41 120.5 . . ?
C41b C42b H42 121.6 . . ?
C45Aa C44Aa C43 117.1(6) . . ?
C41b C42b C43 116.8(6) . . ?
C45b C44b H44 118.2 . . ?
C44b C45b H45 119.1 . . ?
C42Aa C41Aa H41A 118.8 . . ?
C41Aa C42Aa H42A 118.1 . . ?
C45Aa C44Aa H44A 121.4 . . ?
C10 Pt1 Pt2 83.79(7) . . ?
C10 Pt1 Cl1 96.60(7) . . ?
C10 Pt1 P1 68.79(8) . . ?
C10 Pt1 P4 172.96(7) . . ?
Pt2 Cl1 Pt1 70.776(17) . . ?
C15 P2 Pt2 105.31(9) . . ?
C15 P2 C40 107.04(13) . . ?
C50 P2 Pt2 115.29(9) . . ?
C50 P2 C15 107.65(12) . . ?
C50 P2 C40 103.59(12) . . ?
C40 P2 Pt2 117.42(9) . . ?
C61 P3 Pt2 86.30(12) . . ?
C44Aa C45Aa H45A 120.4 . . ?
C92Aa C93Aa H93A 119.5 . . ?
C94Aa C93Aa H93A 119.5 . . ?
C90Aa C91Aa C92A 120.1(6) . . ?
C93Aa C92Aa H92A 120.5 . . ?
C91Aa C92Aa H92A 120.5 . . ?
C91b C92b C93 119.2(7) . . ?
C94b C93b H93 119.4 . . ?
C92b C93b H93 119.4 . . ?
C92Aa C93Aa C94A 121.0(6) . . ?
C93Aa C94Aa H94A 119.6 . . ?
C95Aa C94Aa H94A 119.6 . . ?
C94b C93b C92 121.1(6) . . ?
C91b C92b H92 120.4 . . ?
C93b C92b H92 120.4 . . ?
C90b C95b C94 120.3(7) . . ?
C95b C94b H94 120.5 . . ?
C93b C94b H94 120.5 . . ?
C92b C91b C90 120.7(7) . . ?
C94Aa C95Aa C90A 117.8(7) . . ?
C93b C94b C95 119.1(7) . . ?
C94b C95b H95 119.9 . . ?
C61 P3 C80A 120.4(3) . . ?
C70 P3 Pt2 122.89(10) . . ?
C70 P3 C61 108.12(14) . . ?
C70 P3 C80A 101.5(3) . . ?
C80 P3 Pt2 112.2(2) . . ?
C80 P3 C61 112.3(2) . . ?
C80 P3 C70 111.97(19) . . ?
C80A P3 Pt2 118.2(3) . . ?
C20 P1 Pt1 121.42(10) . . ?
C20 P1 C30 109.43(14) . . ?
C90b C95b H95 119.9 . . ?
C93Aa C92Aa C91A 119.0(7) . . ?
C90Aa C91Aa H91A 120.0 . . ?
C92Aa C91Aa H91A 120.0 . . ?
C95b C90b C91 119.5(7) . . ?
C92b C91b H91 119.6 . . ?
C90b C91b H91 119.6 . . ?
C93Aa C94Aa C95A 120.8(6) . . ?
C91Aa C90Aa C95A 121.3(7) . . ?
C90Aa C95Aa H95A 121.1 . . ?
C94Aa C95Aa H95A 121.1 . . ?
C90b P4 Pt1 109.8(3) . . ?
C90Aa P4 Pt1 117.2(3) . . ?
C90Aa P4 C65 103.8(3) . . ?
C90Aa P4 C100 106.8(3) . . ?
C41Aa C40 P2 126.9(3) . . ?
C41b C40 P2 117.3(3) . . ?
C45Aa C40 P2 114.2(3) . . ?
C45b C40 P2 125.0(3) . . ?
C45b C40 C41 117.7(4) . . ?
C41Aa C40 C45A 118.9(4) . . ?
C44b C43 C42 120.2(5) . . ?
C42b C43 H43A 119.9 . . ?
C44b C43 H43A 119.9 . . ?
C42Aa C43 H43 120.8 . . ?
C44Aa C43 H43 120.8 . . ?
C42Aa C43 C44A 118.3(5) . . ?
C11 P1 Pt1 87.05(9) . . ?
C11 P1 C20 109.42(12) . . ?
C11 P1 C30 113.44(14) . . ?
C30 P1 Pt1 114.19(10) . . ?
C65 P4 Pt1 104.64(10) . . ?
C65 P4 C90 114.7(3) . . ?
C100 P4 Pt1 118.69(9) . . ?
C100 P4 C65 103.73(13) . . ?
C100 P4 C90 105.6(3) . . ?
C60 C65 P4 119.4(2) . . ?
C60 C65 C64 117.3(3) . . ?
C64 C65 P4 122.6(2) . . ?
C60 C61 P3 96.8(2) . . ?
C62 C61 P3 139.0(3) . . ?
C62 C61 C60 123.4(3) . . ?
C10 C15 P2 118.4(2) . . ?
C14 C15 P2 123.5(2) . . ?
C14 C15 C10 117.9(2) . . ?
C65 C60 Pt2 134.2(3) . . ?
C61 C60 Pt2 106.4(2) . . ?
C61 C60 C65 119.3(3) . . ?
C100 C101 H101 119.7 . . ?
C102 C101 H101 119.7 . . ?
C102 C101 C100 120.5(3) . . ?
C105 C104 H104 119.8 . . ?
C103 C104 H104 119.8 . . ?
C103 C104 C105 120.3(3) . . ?
C14 C13 H13 119.5 . . ?
C14 C13 C12 121.0(3) . . ?
C12 C13 H13 119.5 . . ?
C101 C100 P4 117.0(2) . . ?
C101 C100 C105 119.2(3) . . ?
C105 C100 P4 123.7(2) . . ?
C51 C50 P2 122.4(2) . . ?
C51 C50 C55 119.6(3) . . ?
C55 C50 P2 118.0(2) . . ?
C104 C105 C100 120.0(3) . . ?
C104 C105 H105 120.0 . . ?
C100 C105 H105 120.0 . . ?
C62 C63 H63 119.2 . . ?
C64 C63 H63 119.2 . . ?
C64 C63 C62 121.5(3) . . ?
C15 C10 Pt1 134.8(2) . . ?
C11 C10 Pt1 106.49(18) . . ?
C11 C10 C15 118.6(2) . . ?
C55 C54 H54 119.9 . . ?
C55 C54 C53 120.2(3) . . ?
C53 C54 H54 119.9 . . ?
C15 C14 H14 119.1 . . ?
C13 C14 C15 121.8(3) . . ?
C13 C14 H14 119.1 . . ?
C13 C12 H12 121.7 . . ?
C11 C12 C13 116.7(3) . . ?
C11 C12 H12 121.7 . . ?
C71A C70 P3 124.8(5) . . ?
C71A C70 C75A 113.4(6) . . ?
C75 C70 P3 118.4(4) . . ?
C75 C70 C71 125.5(6) . . ?
C75A C70 P3 121.7(3) . . ?
C71 C70 P3 115.6(5) . . ?
C25 C20 P1 118.3(2) . . ?
C21 C20 P1 121.5(2) . . ?
C21 C20 C25 120.1(3) . . ?
C50 C51 H51 120.0 . . ?
C50 C51 C52 119.9(3) . . ?
C52 C51 H51 120.0 . . ?
C20 C25 H25 120.1 . . ?
C24 C25 C20 119.7(3) . . ?
C24 C25 H25 120.1 . . ?
C61 C62 C63 116.6(3) . . ?
C61 C62 H62 121.7 . . ?
C63 C62 H62 121.7 . . ?
C65 C64 H64 119.2 . . ?
C63 C64 C65 121.6(3) . . ?
C63 C64 H64 119.2 . . ?
C50 C55 H55 120.1 . . ?
C54 C55 C50 119.9(3) . . ?
C54 C55 H55 120.1 . . ?
C101 C102 H102 120.1 . . ?
C101 C102 C103 119.8(3) . . ?
C103 C102 H102 120.1 . . ?
C104 C103 C102 120.0(3) . . ?
C104 C103 H103 120.0 . . ?
C102 C103 H103 120.0 . . ?
C10 C11 P1 96.56(19) . . ?
C12 C11 P1 139.0(2) . . ?
C12 C11 C10 123.7(2) . . ?
C25 C24 H24 120.1 . . ?
C40 C41b H41 120.5 . . ?
C40 C45b C44 121.8(6) . . ?
C23 C24 C25 119.9(3) . . ?
C23 C24 H24 120.1 . . ?
C54 C53 H53 119.9 . . ?
C52 C53 C54 120.2(3) . . ?
C52 C53 H53 119.9 . . ?
C35A C30 P1 114.5(4) . . ?
C31A C30 P1 121.4(4) . . ?
C31A C30 C35A 123.0(5) . . ?
C35 C30 P1 124.7(4) . . ?
C35 C30 C31 116.8(5) . . ?
C31 C30 P1 118.0(4) . . ?
C23 C22 H22 119.8 . . ?
C23 C22 C21 120.3(3) . . ?
C21 C22 H22 119.8 . . ?
C24 C23 H23 119.7 . . ?
C40 C45b H45 119.1 . . ?
C40 C41Aa H41A 118.8 . . ?
C40 C41Aa C42A 122.5(6) . . ?
C40 C45Aa H45A 120.4 . . ?
C43 C42b H42 121.6 . . ?
C43 C44b H44 118.2 . . ?
C43 C44b C45 123.5(6) . . ?
C43 C42Aa C41A 123.8(6) . . ?
C43 C42Aa H42A 118.1 . . ?
C43 C44Aa H44A 121.4 . . ?
C22 C23 C24 120.5(3) . . ?
C22 C23 H23 119.7 . . ?
C72A C73 H73 116.4 . . ?
C72A C73 C74A 127.1(7) . . ?
C74 C73 H73A 123.3 . . ?
C74 C73 C72 113.4(6) . . ?
C74A C73 H73 116.4 . . ?
C72 C73 H73A 123.3 . . ?
C51 C52 H52 119.9 . . ?
C53 C52 C51 120.3(3) . . ?
C53 C52 H52 119.9 . . ?
C20 C21 C22 119.5(3) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C73 C72A H72A 120.9 . . ?
C73 C72A C71A 118.2(10) . . ?
C71A C72A H72A 120.9 . . ?
C70 C71A H71A 118.1 . . ?
C72A C71A C70 123.8(9) . . ?
C72A C71A H71A 118.1 . . ?
C82A C81A H81A 120.0 . . ?
C80A C81A H81A 120.0 . . ?
C80A C81A C82A 120.0(7) . . ?
C81A C82A H82A 119.4 . . ?
C83A C82A C81A 121.2(6) . . ?
C83A C82A H82A 119.4 . . ?
C85A C84A H84A 119.8 . . ?
C83A C84A H84A 119.8 . . ?
C83A C84A C85A 120.5(7) . . ?
C84A C85A H85A 120.3 . . ?
C84A C85A C80A 119.3(6) . . ?
C80A C85A H85A 120.3 . . ?
C84 C85 H85 120.5 . . ?
C84 C85 C80 119.0(6) . . ?
C80 C85 H85 120.5 . . ?
C82 C81 H81 120.9 . . ?
C80 C81 H81 120.9 . . ?
C80 C81 C82 118.2(6) . . ?
C85 C84 H84 120.0 . . ?
C83 C84 C85 120.0(7) . . ?
C83 C84 H84 120.0 . . ?
C81 C82 H82 119.8 . . ?
C83 C82 C81 120.4(7) . . ?
C83 C82 H82 119.8 . . ?
C84 C83 H83 119.2 . . ?
C82 C83 C84 121.5(7) . . ?
C82 C83 H83 119.2 . . ?
C82A C83A H83A 120.5 . . ?
C84A C83A C82A 119.0(7) . . ?
C84A C83A H83A 120.5 . . ?
C70 C75 H75 121.2 . . ?
C70 C75 C74 117.7(7) . . ?
C74 C75 H75 121.2 . . ?
C70 C75A H75A 119.0 . . ?
C74A C75A C70 122.0(7) . . ?
C74A C75A H75A 119.0 . . ?
C70 C71 H71 122.1 . . ?
C70 C71 C72 115.7(8) . . ?
C72 C71 H71 122.1 . . ?
C73 C74 H74 118.0 . . ?
C75 C74 C73 124.0(7) . . ?
C75 C74 H74 118.0 . . ?
C73 C74A H74A 122.3 . . ?
C75A C74A C73 115.4(7) . . ?
C75A C74A H74A 122.3 . . ?
C73 C72 H72 118.6 . . ?
C71 C72 C73 122.9(9) . . ?
C71 C72 H72 118.6 . . ?
C33A C32A H32A 119.9 . . ?
C33A C32A C31A 120.1(7) . . ?
C31A C32A H32A 119.9 . . ?
C32A C33A H33A 120.1 . . ?
C32A C33A C34A 119.7(6) . . ?
C34A C33A H33A 120.1 . . ?
C32 C33 H33 119.1 . . ?
C34 C33 H33 119.1 . . ?
C34 C33 C32 121.7(7) . . ?
C33A C34A H34A 119.7 . . ?
C35A C34A C33A 120.5(7) . . ?
C35A C34A H34A 119.7 . . ?
C33 C32 H32 120.1 . . ?
C33 C32 C31 119.9(7) . . ?
C31 C32 H32 120.1 . . ?
C30 C35A H35A 121.6 . . ?
C34A C35A C30 116.8(6) . . ?
C34A C35A H35A 121.6 . . ?
C33 C34 H34 119.9 . . ?
C33 C34 C35 120.2(7) . . ?
C35 C34 H34 119.9 . . ?
C30 C31A C32A 119.8(7) . . ?
C30 C31A H31A 120.1 . . ?
C32A C31A H31A 120.1 . . ?
C30 C35 C34 121.8(7) . . ?
C30 C35 H35 119.1 . . ?
C34 C35 H35 119.1 . . ?
C30 C31 H31 120.2 . . ?
C32 C31 C30 119.5(6) . . ?
C32 C31 H31 120.2 . . ?
Cl2 Ga4 Cl3 109.29(17) . . ?
Cl2 Ga4 Cl11 111.2(3) . . ?
Cl8 Ga4 Cl2 110.68(16) . . ?
Cl8 Ga4 Cl3 109.91(14) . . ?
Cl8 Ga4 Cl11 107.7(4) . . ?
Cl11 Ga4 Cl3 108.1(4) . . ?
Cl4 Ga7 Cl09 109.4(3) . . ?
Cl4 Ga7 Cl9 110.05(16) . . ?
Cl5 Ga7 Cl09 106.8(4) . . ?
Cl5 Ga7 Cl4 110.33(17) . . ?
Cl5 Ga7 Cl9 109.11(15) . . ?
Cl9 Ga7 Cl09 111.1(4) . . ?
C85 C80 P3 119.9(4) . . ?
C81 C80 P3 118.7(5) . . ?
C81 C80 C85 120.8(6) . . ?
C81A C80A P3 127.5(6) . . ?
C81A C80A C85A 120.0(7) . . ?
C85A C80A P3 112.5(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C90Aa P4 C65 C60 -112.9(4) . . . . ?
C95b C90b C91b C92b -1.4(11) . . . . ?
Pt2 P2 C40 C41b 63.7(4) . . . . ?
C93b C92b C91b C90b 2.3(11) . . . . ?
Pt2 P2 C40 C41Aa 100.4(5) . . . . ?
C93Aa C94Aa C95Aa C90Aa 1.4(9) . . . . ?
C90b P4 C65 C60 -109.9(4) . . . . ?
C90b P4 C65 C64 80.4(4) . . . . ?
C94Aa C93Aa C92Aa C91Aa -1.6(9) . . . . ?
C92Aa C93Aa C94Aa C95Aa -0.1(9) . . . . ?
C92b C93b C94b C95b -1.8(10) . . . . ?
Pt2 P2 C40 C45Aa -76.2(4) . . . . ?
C93Aa C92Aa C91Aa C90Aa 2.0(10) . . . . ?
C94b C93b C92b C91b -0.7(10) . . . . ?
C91Aa C90Aa C95Aa C94Aa -0.9(10) . . . . ?
C91b C90b C95b C94b -1.2(11) . . . . ?
Pt2 P2 C40 C45b -116.4(4) . . . . ?
C15 P2 C40 C41Aa -17.6(5) . . . . ?
C15 P2 C40 C45b 125.5(5) . . . . ?
C15 P2 C40 C41b -54.4(4) . . . . ?
C93b C94b C95b C90b 2.8(10) . . . . ?
C90Aa P4 C65 C64 77.4(4) . . . . ?
C90b P4 C100 C101 178.6(3) . . . . ?
C95Aa C90Aa C91Aa C92Aa -0.8(11) . . . . ?
C41b C42b C43 C44b -9.1(11) . . . . ?
Pt2 P2 C15 C10 13.9(2) . . . . ?
Pt2 P2 C15 C14 -159.8(2) . . . . ?
Pt2 P2 C50 C51 -138.5(2) . . . . ?
Pt2 P2 C50 C55 44.2(2) . . . . ?
Pt2 P3 C61 C60 9.48(18) . . . . ?
Pt2 P3 C61 C62 178.8(4) . . . . ?
Pt2 P3 C70 C71A -158.1(4) . . . . ?
C15 P2 C40 C45Aa 165.8(4) . . . . ?
C50 P2 C40 C45Aa 52.2(4) . . . . ?
C50 P2 C40 C41Aa -131.2(5) . . . . ?
C90Aa P4 C100 C101 -169.8(3) . . . . ?
C90b P4 C100 C105 2.2(4) . . . . ?
C50 P2 C40 C41b -168.0(4) . . . . ?
C90Aa P4 C100 C105 13.8(4) . . . . ?
Pt2 P3 C70 C75 -8.3(5) . . . . ?
Pt2 P3 C70 C75A 22.4(5) . . . . ?
Pt2 P3 C70 C71 179.3(5) . . . . ?
Pt2 P3 C80 C85 67.1(6) . . . . ?
Pt2 P3 C80 C81 -103.8(6) . . . . ?
Pt2 P3 C80A C81A -138.6(7) . . . . ?
Pt2 P3 C80A C85A 40.9(7) . . . . ?
C45Aa C40 C41Aa C42Aa 0.0(10) . . . . ?
C45b C40 C41b C42b 4.4(10) . . . . ?
C41b C40 C45b C44b -4.2(9) . . . . ?
C41Aa C40 C45Aa C44Aa -0.9(9) . . . . ?
C42Aa C43 C44Aa C45Aa 2.7(9) . . . . ?
C42b C43 C44b C45b 10.1(11) . . . . ?
C44Aa C43 C42Aa C41Aa -3.9(11) . . . . ?
Pt1 P1 C20 C25 -19.3(3) . . . . ?
Pt1 P1 C20 C21 164.5(2) . . . . ?
Pt1 P1 C11 C10 8.39(15) . . . . ?
C50 P2 C40 C45b 11.9(5) . . . . ?
Pt1 P1 C11 C12 178.4(3) . . . . ?
Pt1 P1 C30 C35A -83.7(4) . . . . ?
Pt1 P1 C30 C31A 84.3(4) . . . . ?
Pt1 P1 C30 C35 -74.4(5) . . . . ?
Pt1 P1 C30 C31 96.8(4) . . . . ?
Pt1 P4 C90Aa C91Aa 61.9(7) . . . . ?
Pt1 P4 C90Aa C95Aa -110.4(6) . . . . ?
Pt1 P4 C65 C60 10.5(3) . . . . ?
Pt1 P4 C65 C64 -159.3(3) . . . . ?
Pt1 P4 C100 C101 55.0(3) . . . . ?
Pt1 P4 C100 C105 -121.4(2) . . . . ?
Pt1 C10 C11 P1 -9.53(17) . . . . ?
Pt1 C10 C11 C12 178.3(2) . . . . ?
P2 C15 C10 Pt1 7.4(4) . . . . ?
P2 C15 C10 C11 -167.76(19) . . . . ?
P2 C15 C14 C13 171.6(2) . . . . ?
P2 C50 C51 C52 -175.9(2) . . . . ?
P2 C50 C55 C54 175.3(3) . . . . ?
P2 C40 C41Aa C42Aa -176.5(6) . . . . ?
P2 C40 C45Aa C44Aa 176.1(5) . . . . ?
P2 C40 C41b C42b -175.6(6) . . . . ?
P2 C40 C45b C44b 175.8(5) . . . . ?
P3 C61 C60 Pt2 -10.8(2) . . . . ?
P3 C61 C60 C65 166.5(3) . . . . ?
P3 C61 C62 C63 -167.0(3) . . . . ?
P3 C70 C71A C72A 179.8(6) . . . . ?
P3 C70 C75 C74 -179.0(6) . . . . ?
P3 C70 C75A C74A -179.3(6) . . . . ?
P3 C70 C71 C72 178.8(6) . . . . ?
P1 C20 C25 C24 -176.9(2) . . . . ?
P1 C20 C21 C22 176.3(2) . . . . ?
P1 C30 C35A C34A 167.6(5) . . . . ?
P1 C30 C31A C32A -168.6(5) . . . . ?
P1 C30 C35 C34 172.5(5) . . . . ?
P1 C30 C31 C32 -173.1(5) . . . . ?
P4 C90Aa C91Aa C92Aa -173.2(6) . . . . ?
P4 C90Aa C95Aa C94Aa 170.9(5) . . . . ?
P4 C90b C91b C92b -178.3(6) . . . . ?
P4 C90b C95b C94b 175.7(6) . . . . ?
P4 C65 C60 Pt2 11.5(5) . . . . ?
P4 C65 C60 C61 -165.0(2) . . . . ?
P4 C65 C64 C63 168.9(2) . . . . ?
P4 C100 C105 C104 176.2(2) . . . . ?
C65 P4 C90Aa C95Aa 4.3(7) . . . . ?
C65 P4 C90Aa C91Aa 176.7(5) . . . . ?
C65 P4 C100 C101 -60.5(3) . . . . ?
C65 P4 C100 C105 123.1(3) . . . . ?
C61 P3 C70 C71A -60.6(5) . . . . ?
C61 P3 C70 C75 89.2(5) . . . . ?
C61 P3 C70 C75A 119.9(4) . . . . ?
C61 P3 C70 C71 -83.2(5) . . . . ?
C61 P3 C80 C85 -28.2(6) . . . . ?
C61 P3 C80 C81 160.9(6) . . . . ?
C61 P3 C80A C81A 118.2(7) . . . . ?
C61 P3 C80A C85A -62.3(6) . . . . ?
C15 P2 C50 C51 -21.3(3) . . . . ?
C15 P2 C50 C55 161.4(2) . . . . ?
C15 C10 C11 P1 166.9(2) . . . . ?
C15 C10 C11 C12 -5.3(4) . . . . ?
C60 C65 C64 C63 -1.0(5) . . . . ?
C60 C61 C62 C63 0.4(5) . . . . ?
C101 C100 C105 C104 -0.1(4) . . . . ?
C101 C102 C103 C104 0.2(5) . . . . ?
C13 C12 C11 P1 -168.3(3) . . . . ?
C13 C12 C11 C10 -0.3(4) . . . . ?
C100 P4 C90Aa C95Aa 113.6(6) . . . . ?
C100 P4 C90Aa C91Aa -74.1(6) . . . . ?
C100 P4 C65 C60 135.5(3) . . . . ?
C100 P4 C65 C64 -34.2(3) . . . . ?
C100 C101 C102 C103 -0.3(5) . . . . ?
C50 P2 C15 C10 -109.6(2) . . . . ?
C50 P2 C15 C14 76.7(3) . . . . ?
C50 C51 C52 C53 0.1(5) . . . . ?
C105 C104 C103 C102 0.0(5) . . . . ?
C10 C15 C14 C13 -2.2(4) . . . . ?
C54 C53 C52 C51 -0.8(5) . . . . ?
C14 C15 C10 Pt1 -178.5(2) . . . . ?
C14 C15 C10 C11 6.3(4) . . . . ?
C14 C13 C12 C11 4.7(5) . . . . ?
C12 C13 C14 C15 -3.5(5) . . . . ?
C70 P3 C61 C60 -114.0(2) . . . . ?
C70 P3 C61 C62 55.4(4) . . . . ?
C70 P3 C80 C85 -150.1(5) . . . . ?
C70 P3 C80 C81 39.1(7) . . . . ?
C70 P3 C80A C81A -1.0(8) . . . . ?
C70 P3 C80A C85A 178.5(5) . . . . ?
C70 C75 C74 C73 -0.5(12) . . . . ?
C70 C75A C74A C73 -0.1(12) . . . . ?
C70 C71 C72 C73 1.0(13) . . . . ?
C20 P1 C11 C10 -113.97(18) . . . . ?
C20 P1 C11 C12 56.0(3) . . . . ?
C20 P1 C30 C35A 56.2(4) . . . . ?
C20 P1 C30 C31A -135.8(4) . . . . ?
C20 P1 C30 C35 65.4(5) . . . . ?
C20 P1 C30 C31 -123.3(4) . . . . ?
C20 C25 C24 C23 1.3(5) . . . . ?
C51 C50 C55 C54 -2.1(5) . . . . ?
C25 C20 C21 C22 0.2(4) . . . . ?
C25 C24 C23 C22 -1.4(5) . . . . ?
C62 C61 C60 Pt2 177.5(3) . . . . ?
C62 C61 C60 C65 -5.1(5) . . . . ?
C62 C63 C64 C65 -3.9(5) . . . . ?
C64 C65 C60 Pt2 -178.3(2) . . . . ?
C64 C65 C60 C61 5.3(5) . . . . ?
C64 C63 C62 C61 4.1(5) . . . . ?
C55 C50 C51 C52 1.3(4) . . . . ?
C55 C54 C53 C52 0.0(6) . . . . ?
C102 C101 C100 P4 -176.2(2) . . . . ?
C102 C101 C100 C105 0.3(4) . . . . ?
C103 C104 C105 C100 -0.1(5) . . . . ?
C40 C41b C42b C43 1.6(11) . . . . ?
C40 C41Aa C42Aa C43 2.7(13) . . . . ?
C40 P2 C15 C10 139.6(2) . . . . ?
C40 P2 C15 C14 -34.1(3) . . . . ?
C40 P2 C50 C51 91.8(2) . . . . ?
C40 P2 C50 C55 -85.5(2) . . . . ?
C43 C44b C45b C40 -3.5(12) . . . . ?
C43 C44Aa C45Aa C40 -0.4(10) . . . . ?
C11 P1 C20 C25 79.4(2) . . . . ?
C11 P1 C20 C21 -96.8(2) . . . . ?
C11 P1 C30 C35A 178.7(4) . . . . ?
C11 P1 C30 C31A -13.3(4) . . . . ?
C11 P1 C30 C35 -172.1(4) . . . . ?
C11 P1 C30 C31 -0.8(4) . . . . ?
C53 C54 C55 C50 1.4(5) . . . . ?
C30 P1 C20 C25 -155.7(2) . . . . ?
C30 P1 C20 C21 28.1(3) . . . . ?
C30 P1 C11 C10 123.53(18) . . . . ?
C30 P1 C11 C12 -66.5(3) . . . . ?
C23 C22 C21 C20 -0.3(5) . . . . ?
C73 C72A C71A C70 -0.9(12) . . . . ?
C21 C20 C25 C24 -0.7(4) . . . . ?
C21 C22 C23 C24 0.9(5) . . . . ?
C72A C73 C74A C75A -1.7(12) . . . . ?
C71A C70 C75A C74A 1.1(10) . . . . ?
C81A C82A C83A C84A 0.3(11) . . . . ?
C82A C81A C80A P3 177.5(6) . . . . ?
C82A C81A C80A C85A -1.9(11) . . . . ?
C84A C85A C80A P3 -177.9(6) . . . . ?
C84A C85A C80A C81A 1.7(11) . . . . ?
C85A C84A C83A C82A -0.6(11) . . . . ?
C85 C84 C83 C82 1.4(14) . . . . ?
C81 C82 C83 C84 -1.2(15) . . . . ?
C84 C85 C80 P3 -173.4(6) . . . . ?
C84 C85 C80 C81 -2.7(11) . . . . ?
C82 C81 C80 P3 173.7(7) . . . . ?
C82 C81 C80 C85 2.9(12) . . . . ?
C83A C84A C85A C80A -0.4(11) . . . . ?
C75 C70 C71 C72 7.0(11) . . . . ?
C75A C70 C71A C72A -0.7(9) . . . . ?
C71 C70 C75 C74 -7.5(11) . . . . ?
C74 C73 C72 C71 -7.6(11) . . . . ?
C74A C73 C72A C71A 2.2(12) . . . . ?
C72 C73 C74 C75 7.3(11) . . . . ?
C32A C33A C34A C35A 0.2(10) . . . . ?
C33A C32A C31A C30 2.7(10) . . . . ?
C33A C34A C35A C30 0.9(10) . . . . ?
C33 C32 C31 C30 1.4(10) . . . . ?
C33 C34 C35 C30 -1.5(11) . . . . ?
C32 C33 C34 C35 1.7(11) . . . . ?
C35A C30 C31A C32A -1.6(9) . . . . ?
C34 C33 C32 C31 -1.6(10) . . . . ?
C31A C30 C35A C34A -0.2(9) . . . . ?
C31A C32A C33A C34A -2.0(10) . . . . ?
C35 C30 C31 C32 -1.2(8) . . . . ?
C31 C30 C35 C34 1.2(9) . . . . ?
C80 P3 C61 C60 122.0(3) . . . . ?
C80 P3 C61 C62 -68.7(4) . . . . ?
C80 P3 C70 C75 -146.6(5) . . . . ?
C80 P3 C70 C71 41.1(5) . . . . ?
C80 C85 C84 C83 0.5(12) . . . . ?
C80 C81 C82 C83 -1.0(14) . . . . ?
C80A P3 C61 C60 130.2(3) . . . . ?
C80A P3 C61 C62 -60.4(5) . . . . ?
C80A P3 C70 C71A 67.0(5) . . . . ?
C80A P3 C70 C75A -112.6(5) . . . . ?
C80A C81A C82A C83A 1.0(11) . . . . ?

_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 0.238 -0.738 0.000 742.7 228.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT220_meyerf220425_0m     
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        6.5 Ratio 
RESPONSE: Due to a disorder of the anion over 2 positions, large Ueq are expected.
By spectroscopic measurements, the composition of the anion was verified.
;
_vrf_PLAT332_meyerf220425_0m     
;
PROBLEM: Large Phenyl C-C Range     C40       -C45      .       0.32 Ang.  
RESPONSE: A disorder of the phenyl ring over 2 positions, with two fixed carbon atoms (position 1 and 4)
show higher and smaller than usual C-C bond lengths. Attempts to model the disorder with free carbons 
did not show any advantage. Restraints like SADI and SAME also did not give any noticable advantage.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_meyerf221212_0m
_database_code_depnum_ccdc_archive 'CCDC 2378089'
loop_
_audit_author_name
_audit_author_address
Daniel
;University of Bremen
Germany
;
_audit_update_record             
;
2024-09-15 deposited with the CCDC.	2024-10-08 downloaded from the CCDC.
;
_audit_creation_date             2022-12-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H46 Cl P4 Pd2, 2(Cl2 Ga0.5)'
_chemical_formula_sum            'C60 H46 Cl5 Ga P4 Pd2'
_chemical_formula_weight         1350.62
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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                   15.1433(6)
_cell_length_b                   15.3082(5)
_cell_length_c                   15.6366(6)
_cell_angle_alpha                77.139(2)
_cell_angle_beta                 61.775(2)
_cell_angle_gamma                89.651(2)
_cell_volume                     3092.9(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9870
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      27.64
_cell_measurement_theta_min      2.21
_shelx_estimated_absorpt_T_max   0.811
_shelx_estimated_absorpt_T_min   0.763
_exptl_absorpt_coefficient_mu    1.362
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.6631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0784 before and 0.0639 after correction.
The Ratio of minimum to maximum transmission is 0.8876.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1348
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0574
_diffrn_reflns_av_unetI/netI     0.0490
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            71038
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.059
_diffrn_reflns_theta_max         25.059
_diffrn_reflns_theta_min         2.639
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Venture D8'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9678
_reflns_number_total             10960
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX3 V2019.1-01 (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/4 (Sheldrick, 2015)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         1.570
_refine_diff_density_min         -0.996
_refine_diff_density_rms         0.152
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.186
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         10960
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0772
_refine_ls_R_factor_gt           0.0693
_refine_ls_restrained_S_all      1.192
_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)+(0.0492P)²+32.0287P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1826
_refine_ls_wR_factor_ref         0.1870
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C25) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C73A)
\\sim Ueq, Uanis(Cl1) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(Cl7A) \\sim Ueq, Uanis(Ga3) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C33) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: H72(0.5) H72A(0.5) C73(0.5) H73(0.5) C73A(0.5) H73A(0.5) C74(0.5)
 H74(0.5) C74A(0.5) H74A(0.5) C75(0.5) H75(0.5) C75A(0.5) H75A(0.5) Ga1(0.25)
 Ga2(0.25) Cl1(0.5) Cl2(0.5) Cl3(0.5) Cl4(0.5) Ga3(0.15) Ga4(0.35) Cl5(0.35)
 Cl5A(0.15) Cl6(0.5) Cl7(0.35) Cl7A(0.15) Cl8(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C21(H21), C22(H22), C23(H23), C24(H24),
 C25(H25), C31(H31), C32(H32), C33(H33), C34(H34), C35(H35), C41(H41), C42(H42),
  C43(H43), C44(H44), C45(H45), C51(H51), C52(H52), C53(H53), C54(H54),
 C55(H55), C62(H62), C63(H63), C64(H64), C71(H71), C72(H72), C72(H72A),
 C73(H73), C73A(H73A), C74(H74), C74A(H74A), C75(H75), C75A(H75A), C81(H81),
 C82(H82), C83(H83), C84(H84), C85(H85), C91(H91), C92(H92), C93(H93), C94(H94),
  C95(H95), C101(H101), C102(H102), C103(H103), C104(H104), C105(H105)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Pd1 Pd 0.20290(4) 0.68742(4) 0.37082(4) 0.02380(16) Uani 1 1 d . . . . .
Pd2 Pd 0.37859(4) 0.64618(4) 0.21668(4) 0.02204(15) Uani 1 1 d . . . . .
Cl9 Cl 0.22907(13) 0.54211(11) 0.33549(12) 0.0239(4) Uani 1 1 d . . . . .
P1 P 0.16438(16) 0.78713(14) 0.46620(15) 0.0315(5) Uani 1 1 d . . . . .
P2 P 0.44285(15) 0.58722(13) 0.32567(14) 0.0262(4) Uani 1 1 d . . . . .
P3 P 0.50279(14) 0.71366(13) 0.06357(14) 0.0247(4) Uani 1 1 d . . . . .
P4 P 0.12239(14) 0.71001(13) 0.27149(15) 0.0269(4) Uani 1 1 d . . . . .
C10 C 0.2906(6) 0.6818(5) 0.4383(5) 0.0280(16) Uani 1 1 d . . . . .
C11 C 0.2522(6) 0.7380(6) 0.5056(6) 0.0364(19) Uani 1 1 d . . . . .
C12 C 0.2908(9) 0.7493(7) 0.5665(7) 0.052(3) Uani 1 1 d . . . . .
H12 H 0.263553 0.787830 0.610600 0.063 Uiso 1 1 calc R U . . .
C13 C 0.3700(9) 0.7031(7) 0.5612(8) 0.054(3) Uani 1 1 d . . . . .
H13 H 0.394862 0.706014 0.606160 0.065 Uiso 1 1 calc R U . . .
C14 C 0.4148(8) 0.6521(6) 0.4918(7) 0.042(2) Uani 1 1 d . . . . .
H14 H 0.472782 0.624372 0.486719 0.050 Uiso 1 1 calc R U . . .
C15 C 0.3758(6) 0.6409(5) 0.4290(6) 0.0283(16) Uani 1 1 d . . . . .
C20 C 0.2037(6) 0.9077(6) 0.4173(7) 0.0376(19) Uani 1 1 d . . . . .
C21 C 0.1397(9) 0.9709(7) 0.4520(8) 0.059(3) Uani 1 1 d . . . . .
H21 H 0.072298 0.952043 0.504272 0.071 Uiso 1 1 calc R U . . .
C22 C 0.1731(10) 1.0610(7) 0.4112(10) 0.072(4) Uani 1 1 d . . . . .
H22 H 0.127229 1.104122 0.432355 0.087 Uiso 1 1 calc R U . . .
C23 C 0.2708(9) 1.0895(8) 0.3410(10) 0.068(3) Uani 1 1 d . U . . .
H23 H 0.293655 1.152147 0.314892 0.082 Uiso 1 1 calc R U . . .
C24 C 0.3355(11) 1.0279(10) 0.3083(13) 0.099(5) Uani 1 1 d . U . . .
H24 H 0.404057 1.047279 0.259531 0.119 Uiso 1 1 calc R U . . .
C25 C 0.3012(9) 0.9361(8) 0.3464(11) 0.075(3) Uani 1 1 d . U . . .
H25 H 0.346407 0.893122 0.322591 0.089 Uiso 1 1 calc R U . . .
C30 C 0.0373(7) 0.7687(6) 0.5686(6) 0.045(2) Uani 1 1 d . . . . .
C31 C -0.0367(7) 0.7217(6) 0.5661(8) 0.053(3) Uani 1 1 d . . . . .
H31 H -0.022904 0.703840 0.506995 0.063 Uiso 1 1 calc R U . . .
C32 C -0.1345(9) 0.6990(7) 0.6506(9) 0.070(4) Uani 1 1 d . . . . .
H32 H -0.185532 0.665857 0.647880 0.084 Uiso 1 1 calc R U . . .
C33 C -0.1544(11) 0.7236(8) 0.7322(10) 0.076(4) Uani 1 1 d . U . . .
H33 H -0.220421 0.708032 0.788051 0.091 Uiso 1 1 calc R U . . .
C34 C -0.0821(11) 0.7718(9) 0.7397(8) 0.083(5) Uani 1 1 d . . . . .
H34 H -0.098012 0.788258 0.800066 0.099 Uiso 1 1 calc R U . . .
C35 C 0.0152(10) 0.7957(8) 0.6565(8) 0.068(3) Uani 1 1 d . . . . .
H35 H 0.065466 0.829718 0.659511 0.082 Uiso 1 1 calc R U . . .
C40 C 0.5758(6) 0.6133(6) 0.2867(6) 0.0351(18) Uani 1 1 d . . . . .
C41 C 0.6155(7) 0.7024(7) 0.2498(7) 0.044(2) Uani 1 1 d . . . . .
H41 H 0.572892 0.748179 0.249905 0.053 Uiso 1 1 calc R U . . .
C42 C 0.7191(8) 0.7258(10) 0.2120(8) 0.069(4) Uani 1 1 d . . . . .
H42 H 0.748250 0.787007 0.184545 0.083 Uiso 1 1 calc R U . . .
C43 C 0.7770(9) 0.6569(14) 0.2164(10) 0.086(5) Uani 1 1 d . . . . .
H43 H 0.846342 0.671475 0.194991 0.103 Uiso 1 1 calc R U . . .
C44 C 0.7391(9) 0.5709(12) 0.2493(11) 0.078(4) Uani 1 1 d . . . . .
H44 H 0.782744 0.525352 0.245697 0.094 Uiso 1 1 calc R U . . .
C45 C 0.6388(8) 0.5470(8) 0.2881(8) 0.053(3) Uani 1 1 d . . . . .
H45 H 0.611760 0.485275 0.316055 0.063 Uiso 1 1 calc R U . . .
C50 C 0.4154(6) 0.4655(5) 0.3759(6) 0.0299(17) Uani 1 1 d . . . . .
C51 C 0.3541(6) 0.4261(6) 0.4773(6) 0.0351(18) Uani 1 1 d . . . . .
H51 H 0.327036 0.462405 0.523873 0.042 Uiso 1 1 calc R U . . .
C52 C 0.3330(8) 0.3323(6) 0.5098(8) 0.049(2) Uani 1 1 d . . . . .
H52 H 0.291694 0.304666 0.579097 0.059 Uiso 1 1 calc R U . . .
C53 C 0.3711(9) 0.2796(6) 0.4430(9) 0.057(3) Uani 1 1 d . . . . .
H53 H 0.355558 0.215937 0.466163 0.069 Uiso 1 1 calc R U . . .
C54 C 0.4320(9) 0.3187(7) 0.3420(9) 0.056(3) Uani 1 1 d . . . . .
H54 H 0.458421 0.282021 0.295819 0.067 Uiso 1 1 calc R U . . .
C55 C 0.4543(8) 0.4108(6) 0.3088(7) 0.043(2) Uani 1 1 d . . . . .
H55 H 0.496606 0.437601 0.239494 0.051 Uiso 1 1 calc R U . . .
C60 C 0.3232(6) 0.7139(5) 0.1270(5) 0.0258(15) Uani 1 1 d . . . . .
C61 C 0.2282(6) 0.7365(5) 0.1430(6) 0.0279(16) Uani 1 1 d . . . . .
C62 C 0.2194(6) 0.7833(5) 0.0612(6) 0.0350(18) Uani 1 1 d . . . . .
H62 H 0.155437 0.800304 0.071230 0.042 Uiso 1 1 calc R U . . .
C63 C 0.3006(7) 0.8061(6) -0.0343(6) 0.039(2) Uani 1 1 d . . . . .
H63 H 0.290782 0.834681 -0.089126 0.047 Uiso 1 1 calc R U . . .
C64 C 0.3962(6) 0.7879(5) -0.0510(6) 0.0347(18) Uani 1 1 d . . . . .
H64 H 0.453191 0.806398 -0.115961 0.042 Uiso 1 1 calc R U . . .
C65 C 0.4055(6) 0.7415(5) 0.0310(5) 0.0256(15) Uani 1 1 d . . . . .
C70 C 0.5808(7) 0.8168(6) 0.0321(7) 0.043(2) Uani 1 1 d . . . . .
C71 C 0.5450(9) 0.8801(7) 0.0841(10) 0.068(3) Uani 1 1 d . . . . .
H71 H 0.479823 0.867409 0.141320 0.082 Uiso 1 1 calc R U . . .
C72 C 0.6004(10) 0.9634(8) 0.0566(12) 0.080(4) Uani 1 1 d . . . . .
H72 H 0.583284 0.999596 0.103177 0.096 Uiso 0.5 1 calc R U P A -2
H72A H 0.567726 1.014982 0.073593 0.096 Uiso 0.5 1 calc R U P B -1
C73 C 0.677(2) 0.9914(17) -0.035(2) 0.073(8) Uani 0.5 1 d . . P C -2
H73 H 0.714031 1.048967 -0.055170 0.088 Uiso 0.5 1 calc R U P C -2
C73A C 0.702(3) 0.969(3) 0.005(3) 0.093(11) Uani 0.5 1 d . U P C -1
H73A H 0.742218 1.020800 -0.004205 0.112 Uiso 0.5 1 calc R U P C -1
C74 C 0.7053(18) 0.9377(17) -0.104(2) 0.079(9) Uani 0.5 1 d . . P C -2
H74 H 0.756614 0.959646 -0.171191 0.094 Uiso 0.5 1 calc R U P C -2
C74A C 0.7481(18) 0.8960(19) -0.034(2) 0.089(10) Uani 0.5 1 d . . P C -1
H74A H 0.819178 0.901192 -0.075804 0.107 Uiso 0.5 1 calc R U P C -1
C75 C 0.6553(15) 0.8506(13) -0.0690(17) 0.055(6) Uani 0.5 1 d . . P C -2
H75 H 0.671671 0.813340 -0.114309 0.066 Uiso 0.5 1 calc R U P C -2
C75A C 0.6893(16) 0.8180(17) -0.0128(18) 0.062(6) Uani 0.5 1 d . . P C -1
H75A H 0.719669 0.764848 -0.027181 0.074 Uiso 0.5 1 calc R U P C -1
C80 C 0.5834(5) 0.6377(5) -0.0028(5) 0.0265(16) Uani 1 1 d . . . . .
C81 C 0.6532(7) 0.6019(7) 0.0248(7) 0.050(2) Uani 1 1 d . . . . .
H81 H 0.660446 0.619365 0.075950 0.060 Uiso 1 1 calc R U . . .
C82 C 0.7128(7) 0.5397(7) -0.0237(7) 0.053(3) Uani 1 1 d . . . . .
H82 H 0.760878 0.514815 -0.005411 0.064 Uiso 1 1 calc R U . . .
C83 C 0.7022(6) 0.5147(6) -0.0969(7) 0.043(2) Uani 1 1 d . . . . .
H83 H 0.744002 0.473290 -0.130112 0.051 Uiso 1 1 calc R U . . .
C84 C 0.6330(7) 0.5479(6) -0.1230(7) 0.045(2) Uani 1 1 d . . . . .
H84 H 0.625366 0.528863 -0.173209 0.054 Uiso 1 1 calc R U . . .
C85 C 0.5730(6) 0.6103(6) -0.0761(6) 0.0363(19) Uani 1 1 d . . . . .
H85 H 0.524698 0.633969 -0.094794 0.044 Uiso 1 1 calc R U . . .
C90 C 0.0447(6) 0.8024(6) 0.2798(6) 0.0357(19) Uani 1 1 d . . . . .
C91 C -0.0542(7) 0.7905(6) 0.2975(8) 0.051(3) Uani 1 1 d . . . . .
H91 H -0.081742 0.733800 0.300025 0.061 Uiso 1 1 calc R U . . .
C92 C -0.1121(7) 0.8617(7) 0.3115(10) 0.063(3) Uani 1 1 d . . . . .
H92 H -0.179806 0.853896 0.324225 0.076 Uiso 1 1 calc R U . . .
C93 C -0.0717(9) 0.9429(8) 0.3069(10) 0.075(4) Uani 1 1 d . . . . .
H93 H -0.111641 0.991648 0.315529 0.090 Uiso 1 1 calc R U . . .
C94 C 0.0273(9) 0.9564(7) 0.2897(9) 0.058(3) Uani 1 1 d . . . . .
H94 H 0.053882 1.013060 0.288367 0.070 Uiso 1 1 calc R U . . .
C95 C 0.0846(7) 0.8869(6) 0.2750(8) 0.046(2) Uani 1 1 d . . . . .
H95 H 0.152524 0.895702 0.261274 0.055 Uiso 1 1 calc R U . . .
C100 C 0.0469(5) 0.6132(5) 0.2807(6) 0.0266(16) Uani 1 1 d . . . . .
C101 C 0.0566(6) 0.5883(6) 0.1961(6) 0.0348(18) Uani 1 1 d . . . . .
H101 H 0.102723 0.623596 0.130977 0.042 Uiso 1 1 calc R U . . .
C102 C -0.0009(6) 0.5123(6) 0.2069(7) 0.040(2) Uani 1 1 d . . . . .
H102 H 0.006726 0.495148 0.149188 0.048 Uiso 1 1 calc R U . . .
C103 C -0.0688(7) 0.4618(6) 0.3007(7) 0.042(2) Uani 1 1 d . . . . .
H103 H -0.107815 0.409720 0.307733 0.050 Uiso 1 1 calc R U . . .
C104 C -0.0803(7) 0.4864(6) 0.3836(7) 0.046(2) Uani 1 1 d . . . . .
H104 H -0.128383 0.451775 0.448282 0.055 Uiso 1 1 calc R U . . .
C105 C -0.0228(6) 0.5609(6) 0.3749(7) 0.0386(19) Uani 1 1 d . . . . .
H105 H -0.030881 0.576574 0.433425 0.046 Uiso 1 1 calc R U . . .
Ga1 Ga 0.0368(8) 0.7291(9) 0.9168(9) 0.090(4) Uani 0.25 1 d . . P D -1
Ga2 Ga 0.0563(9) 0.7332(6) 0.9244(7) 0.060(3) Uani 0.25 1 d . . P D -2
Cl1 Cl 0.1197(8) 0.8448(6) 0.7933(6) 0.112(3) Uani 0.5 1 d . U P . .
Cl2 Cl -0.0825(8) 0.6531(6) 0.9454(7) 0.107(3) Uani 0.5 1 d . . P . .
Cl3 Cl -0.0026(4) 0.7979(5) 1.0503(5) 0.0730(17) Uani 0.5 1 d . . P . .
Cl4 Cl 0.1601(8) 0.6408(6) 0.9111(7) 0.120(3) Uani 0.5 1 d . . P . .
Ga3 Ga 0.3823(14) 0.9941(12) 0.6667(16) 0.045(5) Uani 0.15 1 d . U P E -2
Ga4 Ga 0.3584(5) 0.9874(6) 0.6720(6) 0.0342(17) Uani 0.35 1 d . . P E -1
Cl5 Cl 0.3251(13) 0.9982(10) 0.5529(12) 0.029(3) Uani 0.35 1 d . . P E -1
Cl5A Cl 0.348(3) 1.021(3) 0.538(3) 0.039(9) Uani 0.15 1 d . . P E -2
Cl6 Cl 0.2313(5) 0.9870(5) 0.8101(4) 0.078(2) Uani 0.5 1 d . . P . .
Cl7 Cl 0.4683(7) 1.1086(4) 0.6313(7) 0.0515(18) Uani 0.35 1 d . . P E -1
Cl7A Cl 0.424(4) 1.076(4) 0.670(4) 0.17(2) Uani 0.15 1 d . U P E -2
Cl8 Cl 0.4361(3) 0.8691(3) 0.6838(3) 0.0388(9) Uani 0.5 1 d . . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 Pd2 2.8068(7) . ?
Pd1 Cl9 2.3958(17) . ?
Pd1 P1 2.253(2) . ?
Pd1 P4 2.359(2) . ?
Pd1 C10 2.042(8) . ?
Pd2 Cl9 2.4216(17) . ?
Pd2 P2 2.354(2) . ?
Pd2 P3 2.2360(19) . ?
Pd2 C60 2.049(7) . ?
P1 C11 1.808(9) . ?
P1 C20 1.817(9) . ?
P1 C30 1.799(9) . ?
P2 C15 1.828(8) . ?
P2 C40 1.824(8) . ?
P2 C50 1.820(8) . ?
P3 C65 1.794(8) . ?
P3 C70 1.805(8) . ?
P3 C80 1.800(7) . ?
P4 C61 1.836(8) . ?
P4 C90 1.821(8) . ?
P4 C100 1.816(8) . ?
C10 C11 1.414(11) . ?
C10 C15 1.391(11) . ?
C11 C12 1.371(13) . ?
C12 H12 0.9500 . ?
C12 C13 1.366(14) . ?
C13 H13 0.9500 . ?
C13 C14 1.386(12) . ?
C14 H14 0.9500 . ?
C14 C15 1.403(12) . ?
C20 C21 1.376(13) . ?
C20 C25 1.358(14) . ?
C21 H21 0.9500 . ?
C21 C22 1.369(15) . ?
C22 H22 0.9500 . ?
C22 C23 1.357(17) . ?
C23 H23 0.9500 . ?
C23 C24 1.357(18) . ?
C24 H24 0.9500 . ?
C24 C25 1.393(18) . ?
C25 H25 0.9500 . ?
C30 C31 1.355(15) . ?
C30 C35 1.411(15) . ?
C31 H31 0.9500 . ?
C31 C32 1.417(13) . ?
C32 H32 0.9500 . ?
C32 C33 1.308(18) . ?
C33 H33 0.9500 . ?
C33 C34 1.39(2) . ?
C34 H34 0.9500 . ?
C34 C35 1.406(17) . ?
C35 H35 0.9500 . ?
C40 C41 1.373(13) . ?
C40 C45 1.392(13) . ?
C41 H41 0.9500 . ?
C41 C42 1.406(13) . ?
C42 H42 0.9500 . ?
C42 C43 1.38(2) . ?
C43 H43 0.9500 . ?
C43 C44 1.32(2) . ?
C44 H44 0.9500 . ?
C44 C45 1.359(16) . ?
C45 H45 0.9500 . ?
C50 C51 1.389(11) . ?
C50 C55 1.395(12) . ?
C51 H51 0.9500 . ?
C51 C52 1.396(12) . ?
C52 H52 0.9500 . ?
C52 C53 1.368(15) . ?
C53 H53 0.9500 . ?
C53 C54 1.382(16) . ?
C54 H54 0.9500 . ?
C54 C55 1.373(13) . ?
C55 H55 0.9500 . ?
C60 C61 1.395(10) . ?
C60 C65 1.393(10) . ?
C61 C62 1.384(11) . ?
C62 H62 0.9500 . ?
C62 C63 1.378(12) . ?
C63 H63 0.9500 . ?
C63 C64 1.381(12) . ?
C64 H64 0.9500 . ?
C64 C65 1.391(11) . ?
C70 C71 1.349(13) . ?
C70 C75 1.41(2) . ?
C70 C75A 1.45(2) . ?
C71 H71 0.9500 . ?
C71 C72 1.395(15) . ?
C72 H72 0.9500 . ?
C72 H72A 0.9500 . ?
C72 C73 1.32(3) . ?
C72 C73A 1.35(4) . ?
C73 H73 0.9500 . ?
C73 C74 1.40(4) . ?
C73A H73A 0.9500 . ?
C73A C74A 1.41(4) . ?
C74 H74 0.9500 . ?
C74 C75 1.39(3) . ?
C74A H74A 0.9500 . ?
C74A C75A 1.37(3) . ?
C75 H75 0.9500 . ?
C75A H75A 0.9500 . ?
C80 C81 1.386(12) . ?
C80 C85 1.380(11) . ?
C81 H81 0.9500 . ?
C81 C82 1.400(13) . ?
C82 H82 0.9500 . ?
C82 C83 1.361(14) . ?
C83 H83 0.9500 . ?
C83 C84 1.352(13) . ?
C84 H84 0.9500 . ?
C84 C85 1.395(11) . ?
C85 H85 0.9500 . ?
C90 C91 1.393(12) . ?
C90 C95 1.403(13) . ?
C91 H91 0.9500 . ?
C91 C92 1.385(13) . ?
C92 H92 0.9500 . ?
C92 C93 1.361(16) . ?
C93 H93 0.9500 . ?
C93 C94 1.400(16) . ?
C94 H94 0.9500 . ?
C94 C95 1.359(13) . ?
C95 H95 0.9500 . ?
C100 C101 1.398(11) . ?
C100 C105 1.393(11) . ?
C101 H101 0.9500 . ?
C101 C102 1.388(12) . ?
C102 H102 0.9500 . ?
C102 C103 1.372(13) . ?
C103 H103 0.9500 . ?
C103 C104 1.363(13) . ?
C104 H104 0.9500 . ?
C104 C105 1.381(12) . ?
C105 H105 0.9500 . ?
Ga1 Cl1 2.158(16) . ?
Ga1 Cl2 1.961(16) . ?
Ga1 Cl3 2.371(14) . ?
Ga1 Cl4 2.277(14) . ?
Ga2 Cl1 2.155(12) . ?
Ga2 Cl2 2.287(14) . ?
Ga2 Cl3 2.203(12) . ?
Ga2 Cl4 2.076(12) . ?
Ga3 Cl5A 2.26(6) . ?
Ga3 Cl6 2.31(2) . ?
Ga3 Cl7A 1.42(6) . ?
Ga3 Cl8 2.088(19) . ?
Ga4 Cl5 2.122(18) . ?
Ga4 Cl6 2.105(10) . ?
Ga4 Cl7 2.263(11) . ?
Ga4 Cl8 2.175(8) . ?

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
Cl9 Pd1 Pd2 54.79(4) . . ?
P1 Pd1 Pd2 136.29(6) . . ?
P1 Pd1 Cl9 156.07(7) . . ?
P1 Pd1 P4 111.35(8) . . ?
P4 Pd1 Pd2 92.08(5) . . ?
P4 Pd1 Cl9 86.18(7) . . ?
C10 Pd1 Pd2 82.5(2) . . ?
C10 Pd1 Cl9 96.4(2) . . ?
C10 Pd1 P1 68.9(2) . . ?
C10 Pd1 P4 171.0(2) . . ?
Cl9 Pd2 Pd1 53.94(4) . . ?
P2 Pd2 Pd1 92.71(5) . . ?
P2 Pd2 Cl9 85.41(7) . . ?
P3 Pd2 Pd1 139.29(5) . . ?
P3 Pd2 Cl9 154.62(7) . . ?
P3 Pd2 P2 111.16(7) . . ?
C60 Pd2 Pd1 83.5(2) . . ?
C60 Pd2 Cl9 97.8(2) . . ?
C60 Pd2 P2 172.1(2) . . ?
C60 Pd2 P3 68.4(2) . . ?
Pd1 Cl9 Pd2 71.27(5) . . ?
C11 P1 Pd1 86.3(3) . . ?
C11 P1 C20 107.4(4) . . ?
C20 P1 Pd1 124.4(3) . . ?
C30 P1 Pd1 115.0(3) . . ?
C30 P1 C11 111.9(4) . . ?
C30 P1 C20 109.0(4) . . ?
C15 P2 Pd2 102.7(3) . . ?
C40 P2 Pd2 120.3(3) . . ?
C40 P2 C15 104.4(4) . . ?
C50 P2 Pd2 114.4(3) . . ?
C50 P2 C15 108.4(4) . . ?
C50 P2 C40 105.6(4) . . ?
C65 P3 Pd2 86.5(2) . . ?
C65 P3 C70 107.9(4) . . ?
C65 P3 C80 113.6(4) . . ?
C70 P3 Pd2 125.2(3) . . ?
C80 P3 Pd2 114.2(2) . . ?
C80 P3 C70 107.5(4) . . ?
C61 P4 Pd1 103.3(3) . . ?
C90 P4 Pd1 118.0(3) . . ?
C90 P4 C61 106.8(4) . . ?
C100 P4 Pd1 117.1(2) . . ?
C100 P4 C61 105.1(3) . . ?
C100 P4 C90 105.4(4) . . ?
C11 C10 Pd1 106.6(6) . . ?
C15 C10 Pd1 135.2(6) . . ?
C15 C10 C11 118.1(7) . . ?
C10 C11 P1 97.4(6) . . ?
C12 C11 P1 138.8(7) . . ?
C12 C11 C10 123.3(8) . . ?
C11 C12 H12 121.3 . . ?
C13 C12 C11 117.4(8) . . ?
C13 C12 H12 121.3 . . ?
C12 C13 H13 119.2 . . ?
C12 C13 C14 121.5(9) . . ?
C14 C13 H13 119.2 . . ?
C13 C14 H14 119.5 . . ?
C13 C14 C15 121.0(9) . . ?
C15 C14 H14 119.5 . . ?
C10 C15 P2 119.4(6) . . ?
C10 C15 C14 118.3(7) . . ?
C14 C15 P2 121.8(6) . . ?
C21 C20 P1 122.6(7) . . ?
C25 C20 P1 118.3(7) . . ?
C25 C20 C21 119.0(9) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0(10) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 119.5 . . ?
C23 C22 C21 121.0(11) . . ?
C23 C22 H22 119.5 . . ?
C22 C23 H23 120.2 . . ?
C24 C23 C22 119.5(12) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 119.9(13) . . ?
C25 C24 H24 120.0 . . ?
C20 C25 C24 120.4(11) . . ?
C20 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C31 C30 P1 120.6(7) . . ?
C31 C30 C35 118.9(9) . . ?
C35 C30 P1 120.3(9) . . ?
C30 C31 H31 119.6 . . ?
C30 C31 C32 120.9(11) . . ?
C32 C31 H31 119.6 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.1(13) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 119.0 . . ?
C32 C33 C34 122.0(12) . . ?
C34 C33 H33 119.0 . . ?
C33 C34 H34 120.5 . . ?
C33 C34 C35 118.9(12) . . ?
C35 C34 H34 120.5 . . ?
C30 C35 H35 120.4 . . ?
C34 C35 C30 119.3(13) . . ?
C34 C35 H35 120.4 . . ?
C41 C40 P2 117.7(7) . . ?
C41 C40 C45 119.3(9) . . ?
C45 C40 P2 122.9(7) . . ?
C40 C41 H41 120.0 . . ?
C40 C41 C42 120.1(10) . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 121.2 . . ?
C43 C42 C41 117.6(12) . . ?
C43 C42 H42 121.2 . . ?
C42 C43 H43 118.9 . . ?
C44 C43 C42 122.2(11) . . ?
C44 C43 H43 118.9 . . ?
C43 C44 H44 119.5 . . ?
C43 C44 C45 120.9(12) . . ?
C45 C44 H44 119.5 . . ?
C40 C45 H45 120.1 . . ?
C44 C45 C40 119.7(12) . . ?
C44 C45 H45 120.1 . . ?
C51 C50 P2 122.2(6) . . ?
C51 C50 C55 119.5(8) . . ?
C55 C50 P2 118.2(6) . . ?
C50 C51 H51 120.5 . . ?
C50 C51 C52 119.0(8) . . ?
C52 C51 H51 120.5 . . ?
C51 C52 H52 119.6 . . ?
C53 C52 C51 120.8(9) . . ?
C53 C52 H52 119.6 . . ?
C52 C53 H53 119.8 . . ?
C52 C53 C54 120.3(9) . . ?
C54 C53 H53 119.8 . . ?
C53 C54 H54 120.1 . . ?
C55 C54 C53 119.7(9) . . ?
C55 C54 H54 120.1 . . ?
C50 C55 H55 119.7 . . ?
C54 C55 C50 120.7(9) . . ?
C54 C55 H55 119.7 . . ?
C61 C60 Pd2 134.7(6) . . ?
C65 C60 Pd2 106.2(5) . . ?
C65 C60 C61 119.1(7) . . ?
C60 C61 P4 119.0(6) . . ?
C62 C61 P4 122.8(6) . . ?
C62 C61 C60 118.1(7) . . ?
C61 C62 H62 119.0 . . ?
C63 C62 C61 122.1(8) . . ?
C63 C62 H62 119.0 . . ?
C62 C63 H63 119.6 . . ?
C62 C63 C64 120.7(8) . . ?
C64 C63 H63 119.6 . . ?
C63 C64 H64 121.3 . . ?
C63 C64 C65 117.3(7) . . ?
C65 C64 H64 121.3 . . ?
C60 C65 P3 97.7(5) . . ?
C64 C65 P3 139.0(6) . . ?
C64 C65 C60 122.5(7) . . ?
C71 C70 P3 120.9(7) . . ?
C71 C70 C75 114.7(11) . . ?
C71 C70 C75A 113.2(11) . . ?
C75 C70 P3 117.7(10) . . ?
C75A C70 P3 120.0(11) . . ?
C70 C71 H71 118.9 . . ?
C70 C71 C72 122.3(11) . . ?
C72 C71 H71 118.9 . . ?
C71 C72 H72 120.5 . . ?
C71 C72 H72A 121.1 . . ?
C73 C72 C71 119.0(15) . . ?
C73 C72 H72 120.5 . . ?
C73A C72 C71 117.9(19) . . ?
C73A C72 H72A 121.1 . . ?
C72 C73 H73 119.5 . . ?
C72 C73 C74 121.1(18) . . ?
C74 C73 H73 119.5 . . ?
C72 C73A H73A 120.1 . . ?
C72 C73A C74A 120(3) . . ?
C74A C73A H73A 120.1 . . ?
C73 C74 H74 121.2 . . ?
C75 C74 C73 118(2) . . ?
C75 C74 H74 121.2 . . ?
C73A C74A H74A 120.3 . . ?
C75A C74A C73A 119(2) . . ?
C75A C74A H74A 120.3 . . ?
C70 C75 H75 119.3 . . ?
C74 C75 C70 121.4(18) . . ?
C74 C75 H75 119.3 . . ?
C70 C75A H75A 120.1 . . ?
C74A C75A C70 120(2) . . ?
C74A C75A H75A 120.1 . . ?
C81 C80 P3 119.1(6) . . ?
C85 C80 P3 121.3(6) . . ?
C85 C80 C81 119.4(7) . . ?
C80 C81 H81 120.4 . . ?
C80 C81 C82 119.2(9) . . ?
C82 C81 H81 120.4 . . ?
C81 C82 H82 119.8 . . ?
C83 C82 C81 120.4(9) . . ?
C83 C82 H82 119.8 . . ?
C82 C83 H83 119.5 . . ?
C84 C83 C82 120.9(8) . . ?
C84 C83 H83 119.5 . . ?
C83 C84 H84 120.1 . . ?
C83 C84 C85 119.8(9) . . ?
C85 C84 H84 120.1 . . ?
C80 C85 C84 120.3(8) . . ?
C80 C85 H85 119.9 . . ?
C84 C85 H85 119.9 . . ?
C91 C90 P4 122.5(7) . . ?
C91 C90 C95 119.4(8) . . ?
C95 C90 P4 118.0(7) . . ?
C90 C91 H91 120.2 . . ?
C92 C91 C90 119.7(9) . . ?
C92 C91 H91 120.2 . . ?
C91 C92 H92 120.1 . . ?
C93 C92 C91 119.8(10) . . ?
C93 C92 H92 120.1 . . ?
C92 C93 H93 119.2 . . ?
C92 C93 C94 121.6(9) . . ?
C94 C93 H93 119.2 . . ?
C93 C94 H94 120.6 . . ?
C95 C94 C93 118.7(10) . . ?
C95 C94 H94 120.6 . . ?
C90 C95 H95 119.6 . . ?
C94 C95 C90 120.8(9) . . ?
C94 C95 H95 119.6 . . ?
C101 C100 P4 122.3(6) . . ?
C105 C100 P4 119.4(6) . . ?
C105 C100 C101 118.4(7) . . ?
C100 C101 H101 119.9 . . ?
C102 C101 C100 120.2(8) . . ?
C102 C101 H101 119.9 . . ?
C101 C102 H102 119.9 . . ?
C103 C102 C101 120.2(9) . . ?
C103 C102 H102 119.9 . . ?
C102 C103 H103 119.9 . . ?
C104 C103 C102 120.1(8) . . ?
C104 C103 H103 119.9 . . ?
C103 C104 H104 119.6 . . ?
C103 C104 C105 120.8(8) . . ?
C105 C104 H104 119.6 . . ?
C100 C105 H105 119.8 . . ?
C104 C105 C100 120.3(8) . . ?
C104 C105 H105 119.8 . . ?
Cl1 Ga1 Cl3 98.5(6) . . ?
Cl1 Ga1 Cl4 102.7(6) . . ?
Cl2 Ga1 Cl1 128.4(8) . . ?
Cl2 Ga1 Cl3 109.7(5) . . ?
Cl2 Ga1 Cl4 109.4(7) . . ?
Cl4 Ga1 Cl3 106.0(6) . . ?
Cl1 Ga2 Cl2 113.2(5) . . ?
Cl1 Ga2 Cl3 104.0(5) . . ?
Cl3 Ga2 Cl2 104.5(5) . . ?
Cl4 Ga2 Cl1 110.0(6) . . ?
Cl4 Ga2 Cl2 105.0(6) . . ?
Cl4 Ga2 Cl3 120.3(5) . . ?
Cl5A Ga3 Cl6 106.5(14) . . ?
Cl7A Ga3 Cl5A 110(2) . . ?
Cl7A Ga3 Cl6 94(3) . . ?
Cl7A Ga3 Cl8 125(2) . . ?
Cl8 Ga3 Cl5A 111.0(16) . . ?
Cl8 Ga3 Cl6 107.2(8) . . ?
Cl5 Ga4 Cl7 107.7(5) . . ?
Cl5 Ga4 Cl8 109.7(6) . . ?
Cl6 Ga4 Cl5 113.6(6) . . ?
Cl6 Ga4 Cl7 107.6(5) . . ?
Cl6 Ga4 Cl8 111.4(4) . . ?
Cl8 Ga4 Cl7 106.5(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pd1 P1 C11 C10 7.4(5) . . . . ?
Pd1 P1 C11 C12 178.7(11) . . . . ?
Pd1 P1 C20 C21 136.6(8) . . . . ?
Pd1 P1 C20 C25 -45.9(10) . . . . ?
Pd1 P1 C30 C31 -22.7(9) . . . . ?
Pd1 P1 C30 C35 151.5(7) . . . . ?
Pd1 P4 C61 C60 18.2(6) . . . . ?
Pd1 P4 C61 C62 -157.6(6) . . . . ?
Pd1 P4 C90 C91 -128.5(8) . . . . ?
Pd1 P4 C90 C95 46.9(8) . . . . ?
Pd1 P4 C100 C101 -131.0(6) . . . . ?
Pd1 P4 C100 C105 48.4(7) . . . . ?
Pd1 C10 C11 P1 -8.5(5) . . . . ?
Pd1 C10 C11 C12 178.3(8) . . . . ?
Pd1 C10 C15 P2 8.8(11) . . . . ?
Pd1 C10 C15 C14 -179.1(6) . . . . ?
Pd2 P2 C15 C10 15.6(6) . . . . ?
Pd2 P2 C15 C14 -156.2(6) . . . . ?
Pd2 P2 C40 C41 51.7(7) . . . . ?
Pd2 P2 C40 C45 -125.0(7) . . . . ?
Pd2 P2 C50 C51 -115.0(6) . . . . ?
Pd2 P2 C50 C55 62.4(7) . . . . ?
Pd2 P3 C65 C60 8.7(4) . . . . ?
Pd2 P3 C65 C64 178.1(9) . . . . ?
Pd2 P3 C70 C71 -29.4(12) . . . . ?
Pd2 P3 C70 C75 -179.3(13) . . . . ?
Pd2 P3 C70 C75A 121.9(14) . . . . ?
Pd2 P3 C80 C81 -74.7(7) . . . . ?
Pd2 P3 C80 C85 101.3(6) . . . . ?
Pd2 C60 C61 P4 4.8(11) . . . . ?
Pd2 C60 C61 C62 -179.3(6) . . . . ?
Pd2 C60 C65 P3 -9.8(5) . . . . ?
Pd2 C60 C65 C64 178.3(6) . . . . ?
P1 C11 C12 C13 -170.1(9) . . . . ?
P1 C20 C21 C22 -179.0(10) . . . . ?
P1 C20 C25 C24 -178.5(12) . . . . ?
P1 C30 C31 C32 173.5(8) . . . . ?
P1 C30 C35 C34 -173.0(9) . . . . ?
P2 C40 C41 C42 -175.4(7) . . . . ?
P2 C40 C45 C44 173.9(8) . . . . ?
P2 C50 C51 C52 177.4(7) . . . . ?
P2 C50 C55 C54 -176.9(8) . . . . ?
P3 C70 C71 C72 -174.7(11) . . . . ?
P3 C70 C75 C74 167(2) . . . . ?
P3 C70 C75A C74A -179(2) . . . . ?
P3 C80 C81 C82 177.1(8) . . . . ?
P3 C80 C85 C84 -176.8(7) . . . . ?
P4 C61 C62 C63 177.1(7) . . . . ?
P4 C90 C91 C92 174.5(9) . . . . ?
P4 C90 C95 C94 -174.0(8) . . . . ?
P4 C100 C101 C102 178.3(6) . . . . ?
P4 C100 C105 C104 -179.3(7) . . . . ?
C10 C11 C12 C13 -0.3(15) . . . . ?
C11 P1 C20 C21 -125.8(9) . . . . ?
C11 P1 C20 C25 51.7(10) . . . . ?
C11 P1 C30 C31 -119.1(8) . . . . ?
C11 P1 C30 C35 55.1(9) . . . . ?
C11 C10 C15 P2 -167.5(6) . . . . ?
C11 C10 C15 C14 4.6(11) . . . . ?
C11 C12 C13 C14 4.8(17) . . . . ?
C12 C13 C14 C15 -4.6(16) . . . . ?
C13 C14 C15 P2 171.5(8) . . . . ?
C13 C14 C15 C10 -0.3(13) . . . . ?
C15 P2 C40 C41 -62.7(7) . . . . ?
C15 P2 C40 C45 120.6(7) . . . . ?
C15 P2 C50 C51 -1.0(8) . . . . ?
C15 P2 C50 C55 176.3(7) . . . . ?
C15 C10 C11 P1 168.8(6) . . . . ?
C15 C10 C11 C12 -4.4(13) . . . . ?
C20 P1 C11 C10 -117.6(6) . . . . ?
C20 P1 C11 C12 53.8(12) . . . . ?
C20 P1 C30 C31 122.3(8) . . . . ?
C20 P1 C30 C35 -63.5(9) . . . . ?
C20 C21 C22 C23 -4(2) . . . . ?
C21 C20 C25 C24 -1(2) . . . . ?
C21 C22 C23 C24 2(2) . . . . ?
C22 C23 C24 C25 0(2) . . . . ?
C23 C24 C25 C20 -1(3) . . . . ?
C25 C20 C21 C22 3.6(18) . . . . ?
C30 P1 C11 C10 122.8(6) . . . . ?
C30 P1 C11 C12 -65.8(12) . . . . ?
C30 P1 C20 C21 -4.3(10) . . . . ?
C30 P1 C20 C25 173.2(10) . . . . ?
C30 C31 C32 C33 0.3(17) . . . . ?
C31 C30 C35 C34 1.3(15) . . . . ?
C31 C32 C33 C34 0(2) . . . . ?
C32 C33 C34 C35 1(2) . . . . ?
C33 C34 C35 C30 -1.3(18) . . . . ?
C35 C30 C31 C32 -0.8(15) . . . . ?
C40 P2 C15 C10 141.9(6) . . . . ?
C40 P2 C15 C14 -29.8(8) . . . . ?
C40 P2 C50 C51 110.4(7) . . . . ?
C40 P2 C50 C55 -72.2(7) . . . . ?
C40 C41 C42 C43 -1.8(15) . . . . ?
C41 C40 C45 C44 -2.8(14) . . . . ?
C41 C42 C43 C44 3.8(18) . . . . ?
C42 C43 C44 C45 -5(2) . . . . ?
C43 C44 C45 C40 4.7(18) . . . . ?
C45 C40 C41 C42 1.4(13) . . . . ?
C50 P2 C15 C10 -105.8(6) . . . . ?
C50 P2 C15 C14 82.4(7) . . . . ?
C50 P2 C40 C41 -177.0(7) . . . . ?
C50 P2 C40 C45 6.3(8) . . . . ?
C50 C51 C52 C53 -0.6(14) . . . . ?
C51 C50 C55 C54 0.5(13) . . . . ?
C51 C52 C53 C54 0.6(16) . . . . ?
C52 C53 C54 C55 0.0(16) . . . . ?
C53 C54 C55 C50 -0.5(15) . . . . ?
C55 C50 C51 C52 0.0(12) . . . . ?
C60 C61 C62 C63 1.3(12) . . . . ?
C61 P4 C90 C91 115.8(8) . . . . ?
C61 P4 C90 C95 -68.8(8) . . . . ?
C61 P4 C100 C101 -17.1(7) . . . . ?
C61 P4 C100 C105 162.4(6) . . . . ?
C61 C60 C65 P3 169.2(6) . . . . ?
C61 C60 C65 C64 -2.6(11) . . . . ?
C61 C62 C63 C64 -4.2(14) . . . . ?
C62 C63 C64 C65 3.6(13) . . . . ?
C63 C64 C65 P3 -167.8(7) . . . . ?
C63 C64 C65 C60 -0.2(12) . . . . ?
C65 P3 C70 C71 69.2(11) . . . . ?
C65 P3 C70 C75 -80.7(14) . . . . ?
C65 P3 C70 C75A -139.5(14) . . . . ?
C65 P3 C80 C81 -171.8(7) . . . . ?
C65 P3 C80 C85 4.2(8) . . . . ?
C65 C60 C61 P4 -173.9(6) . . . . ?
C65 C60 C61 C62 2.0(11) . . . . ?
C70 P3 C65 C60 -117.3(5) . . . . ?
C70 P3 C65 C64 52.2(10) . . . . ?
C70 P3 C80 C81 68.9(8) . . . . ?
C70 P3 C80 C85 -115.1(7) . . . . ?
C70 C71 C72 C73 18(3) . . . . ?
C70 C71 C72 C73A -26(3) . . . . ?
C71 C70 C75 C74 16(3) . . . . ?
C71 C70 C75A C74A -25(3) . . . . ?
C71 C72 C73 C74 -2(4) . . . . ?
C71 C72 C73A C74A 11(5) . . . . ?
C72 C73 C74 C75 -5(5) . . . . ?
C72 C73A C74A C75A -6(6) . . . . ?
C73 C74 C75 C70 -2(5) . . . . ?
C73A C74A C75A C70 13(5) . . . . ?
C75 C70 C71 C72 -24(2) . . . . ?
C75A C70 C71 C72 32(2) . . . . ?
C80 P3 C65 C60 123.6(5) . . . . ?
C80 P3 C65 C64 -66.9(10) . . . . ?
C80 P3 C70 C71 -167.9(10) . . . . ?
C80 P3 C70 C75 42.2(14) . . . . ?
C80 P3 C70 C75A -16.6(15) . . . . ?
C80 C81 C82 C83 -0.1(16) . . . . ?
C81 C80 C85 C84 -0.8(13) . . . . ?
C81 C82 C83 C84 -1.2(16) . . . . ?
C82 C83 C84 C85 1.4(15) . . . . ?
C83 C84 C85 C80 -0.4(14) . . . . ?
C85 C80 C81 C82 1.1(14) . . . . ?
C90 P4 C61 C60 143.3(6) . . . . ?
C90 P4 C61 C62 -32.5(8) . . . . ?
C90 P4 C100 C101 95.5(7) . . . . ?
C90 P4 C100 C105 -85.1(7) . . . . ?
C90 C91 C92 C93 0.6(18) . . . . ?
C91 C90 C95 C94 1.5(15) . . . . ?
C91 C92 C93 C94 -1(2) . . . . ?
C92 C93 C94 C95 2(2) . . . . ?
C93 C94 C95 C90 -1.9(17) . . . . ?
C95 C90 C91 C92 -0.8(15) . . . . ?
C100 P4 C61 C60 -105.0(6) . . . . ?
C100 P4 C61 C62 79.2(7) . . . . ?
C100 P4 C90 C91 4.4(9) . . . . ?
C100 P4 C90 C95 179.8(7) . . . . ?
C100 C101 C102 C103 1.0(13) . . . . ?
C101 C100 C105 C104 0.2(12) . . . . ?
C101 C102 C103 C104 0.2(14) . . . . ?
C102 C103 C104 C105 -1.3(14) . . . . ?
C103 C104 C105 C100 1.0(14) . . . . ?
C105 C100 C101 C102 -1.2(12) . . . . ?

_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 0.000 0.000 52.6 6.7 ?
2 0.380 0.644 0.856 8.1 0.0 ?
3 0.620 0.356 0.144 8.1 0.0 ?

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

data_meyerf221117_0m
_database_code_depnum_ccdc_archive 'CCDC 2378091'
loop_
_audit_author_name
_audit_author_address
Daniel
;University of Bremen
Germany
;
_audit_update_record             
;
2024-09-15 deposited with the CCDC.	2024-10-08 downloaded from the CCDC.
;
_audit_creation_date             2022-12-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H46 Cl3 Ga P4 Pt, C H2 Cl2'
_chemical_formula_sum            'C61 H48 Cl5 Ga P4 Pt'
_chemical_formula_weight         1346.93
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   10.9998(12)
_cell_length_b                   12.2209(13)
_cell_length_c                   21.688(2)
_cell_angle_alpha                89.922(4)
_cell_angle_beta                 83.531(4)
_cell_angle_gamma                69.049(4)
_cell_volume                     2703.0(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9538
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      36.21
_cell_measurement_theta_min      2.28
_shelx_estimated_absorpt_T_max   0.584
_shelx_estimated_absorpt_T_min   0.497
_exptl_absorpt_coefficient_mu    3.490
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5711
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1052 before and 0.0599 after correction.
The Ratio of minimum to maximum transmission is 0.7660.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1336
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-5.00 0.00 -2.00 0.0330
-5.00 1.00 2.00 0.0320
-4.00 2.00 3.00 0.0500
-3.00 -5.00 1.00 0.0400
-3.00 -1.00 5.00 0.0520
-2.00 -2.00 5.00 0.0810
-1.00 -2.00 -5.00 0.0510
-1.00 -1.00 -5.00 0.0450
-1.00 0.00 1.00 0.0380
-1.00 0.00 -2.00 0.0270
1.00 2.00 -1.00 0.0930
1.00 2.00 -2.00 0.0930
1.00 2.00 4.00 0.1140
1.00 1.00 -5.00 0.0880
1.00 1.00 2.00 0.1150
1.00 0.00 -5.00 0.0790
2.00 4.00 3.00 0.1140
2.00 4.00 1.00 0.1070
2.00 3.00 -3.00 0.0920
2.00 3.00 3.00 0.1150
2.00 3.00 1.00 0.1130
2.00 1.00 2.00 0.1080
2.00 1.00 4.00 0.1230
2.00 -1.00 5.00 0.1340
3.00 5.00 -1.00 0.1010
3.00 2.00 -5.00 0.0970
3.00 1.00 -2.00 0.0960
3.00 -1.00 1.00 0.1160
4.00 1.00 -1.00 0.0970
5.00 2.00 -5.00 0.0960
5.00 2.00 0.00 0.1070
5.00 2.00 5.00 0.1100
5.00 1.00 -2.00 0.0920
5.00 1.00 5.00 0.1170
5.00 0.00 -3.00 0.0960

_exptl_crystal_size_max          0.233
_exptl_crystal_size_mid          0.205
_exptl_crystal_size_min          0.173
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            97235
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         2.148
_diffrn_ambient_temperature      100.00
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12736
_reflns_number_total             13379
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX3 V2019.1-01 (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/4 (Sheldrick, 2015)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         1.483
_refine_diff_density_min         -0.894
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         13379
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0239
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0287P)²+3.5445P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0595
_refine_ls_wR_factor_ref         0.0605
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C14(H14), C62(H62), C31(H31), C13(H13), C25(H25), C45(H45),
 C55(H55), C64(H64), C41(H41), C51(H51), C21(H21), C63(H63), C22(H22),
 C103(H103), C85(H85), C44(H44), C81(H81), C42(H42), C54(H54), C53(H53),
 C35(H35), C82(H82), C71(H71), C32(H32), C23(H23), C102(H102), C101(H101),
 C43(H43), C52(H52), C75(H75), C33(H33), C74(H74), C104(H104), C73(H73),
 C34(H34), C84(H84), C83(H83), C105(H105), C92(H92), C72(H72), C93(H93),
 C24(H24), C95(H95), C94(H94), C91(H91)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.50259(2) 0.68096(2) 0.66354(2) 0.01135(3) Uani 1 1 d . . . . .
Ga1 Ga 0.61526(2) 0.71146(2) 0.78325(2) 0.01192(5) Uani 1 1 d . . . . .
Cl1 Cl 0.42891(5) 0.72302(5) 0.83595(3) 0.01661(11) Uani 1 1 d . . . . .
Cl2 Cl 0.37010(6) 0.88101(5) 0.66217(3) 0.02109(12) Uani 1 1 d . . . . .
P2 P 0.61870(6) 0.48821(5) 0.67064(3) 0.01184(11) Uani 1 1 d . . . . .
Cl3 Cl 0.30546(5) 0.64798(5) 0.68290(3) 0.01708(11) Uani 1 1 d . . . . .
P1 P 0.78261(6) 0.64532(5) 0.86037(3) 0.01337(11) Uani 1 1 d . . . . .
P3 P 0.67191(6) 0.73751(5) 0.63087(3) 0.01266(11) Uani 1 1 d . . . . .
P4 P 0.56718(6) 0.96120(5) 0.86743(3) 0.01438(11) Uani 1 1 d . . . . .
Cl5 Cl 0.98374(10) 1.05597(8) 0.72141(5) 0.0499(2) Uani 1 1 d . . . . .
Cl4 Cl 0.99479(9) 0.95313(10) 0.60051(4) 0.0547(3) Uani 1 1 d . . . . .
C10 C 0.7424(2) 0.5474(2) 0.76197(10) 0.0124(4) Uani 1 1 d . . . . .
C20 C 0.9108(2) 0.7025(2) 0.86943(11) 0.0156(4) Uani 1 1 d . . . . .
C60 C 0.6313(2) 0.8557(2) 0.74615(11) 0.0133(4) Uani 1 1 d . . . . .
C30 C 0.7545(2) 0.5833(2) 0.93437(11) 0.0154(4) Uani 1 1 d . . . . .
C12 C 0.9510(2) 0.4237(2) 0.79580(12) 0.0190(5) Uani 1 1 d . . . . .
H12 H 1.015527 0.410060 0.823480 0.023 Uiso 1 1 calc R U . . .
C14 C 0.8698(2) 0.3616(2) 0.70846(11) 0.0180(5) Uani 1 1 d . . . . .
H14 H 0.881084 0.304753 0.676375 0.022 Uiso 1 1 calc R U . . .
C62 C 0.6650(2) 0.9635(2) 0.65427(11) 0.0181(5) Uani 1 1 d . . . . .
H62 H 0.689780 0.963506 0.610874 0.022 Uiso 1 1 calc R U . . .
C31 C 0.8574(3) 0.4992(2) 0.96014(12) 0.0189(5) Uani 1 1 d . . . . .
H31 H 0.944560 0.477362 0.940181 0.023 Uiso 1 1 calc R U . . .
C11 C 0.8389(2) 0.5253(2) 0.80253(11) 0.0144(4) Uani 1 1 d . . . . .
C15 C 0.7568(2) 0.4625(2) 0.71552(10) 0.0131(4) Uani 1 1 d . . . . .
C50 C 0.5212(2) 0.4127(2) 0.71258(11) 0.0148(4) Uani 1 1 d . . . . .
C40 C 0.6719(2) 0.4076(2) 0.59607(11) 0.0141(4) Uani 1 1 d . . . . .
C65 C 0.6064(2) 0.9588(2) 0.78262(11) 0.0149(4) Uani 1 1 d . . . . .
C80 C 0.6626(3) 0.7870(2) 0.55144(11) 0.0176(5) Uani 1 1 d . . . . .
C13 C 0.9664(3) 0.3433(2) 0.74795(12) 0.0207(5) Uani 1 1 d . . . . .
H13 H 1.043424 0.274958 0.741945 0.025 Uiso 1 1 calc R U . . .
C25 C 0.8864(2) 0.7865(2) 0.91720(12) 0.0179(5) Uani 1 1 d . . . . .
H25 H 0.809257 0.805337 0.945911 0.021 Uiso 1 1 calc R U . . .
C45 C 0.6408(2) 0.4682(2) 0.54184(11) 0.0172(5) Uani 1 1 d . . . . .
H45 H 0.594425 0.550584 0.544495 0.021 Uiso 1 1 calc R U . . .
C55 C 0.4447(2) 0.3681(2) 0.68016(12) 0.0187(5) Uani 1 1 d . . . . .
H55 H 0.452413 0.368633 0.636096 0.022 Uiso 1 1 calc R U . . .
C61 C 0.6601(2) 0.8610(2) 0.68117(11) 0.0143(4) Uani 1 1 d . . . . .
C64 C 0.6023(3) 1.0629(2) 0.75377(12) 0.0197(5) Uani 1 1 d . . . . .
H64 H 0.577411 1.133596 0.778265 0.024 Uiso 1 1 calc R U . . .
C41 C 0.7367(3) 0.2860(2) 0.59145(12) 0.0200(5) Uani 1 1 d . . . . .
H41 H 0.756079 0.243225 0.627962 0.024 Uiso 1 1 calc R U . . .
C51 C 0.5093(3) 0.4111(2) 0.77741(11) 0.0189(5) Uani 1 1 d . . . . .
H51 H 0.561298 0.440219 0.799951 0.023 Uiso 1 1 calc R U . . .
C21 C 1.0243(3) 0.6746(3) 0.82757(12) 0.0232(5) Uani 1 1 d . . . . .
H21 H 1.041833 0.617083 0.795066 0.028 Uiso 1 1 calc R U . . .
C63 C 0.6341(3) 1.0640(2) 0.69030(12) 0.0218(5) Uani 1 1 d . . . . .
H63 H 0.634495 1.134326 0.671692 0.026 Uiso 1 1 calc R U . . .
C22 C 1.1120(3) 0.7316(3) 0.83364(13) 0.0278(6) Uani 1 1 d . . . . .
H22 H 1.189381 0.713094 0.805147 0.033 Uiso 1 1 calc R U . . .
C103 C 0.1286(3) 1.2034(2) 0.89495(13) 0.0223(5) Uani 1 1 d . . . . .
H103 H 0.037402 1.248302 0.902311 0.027 Uiso 1 1 calc R U . . .
C85 C 0.5523(3) 0.8013(2) 0.52156(12) 0.0225(5) Uani 1 1 d . . . . .
H85 H 0.480945 0.783922 0.542286 0.027 Uiso 1 1 calc R U . . .
C44 C 0.6770(3) 0.4094(2) 0.48427(12) 0.0222(5) Uani 1 1 d . . . . .
H44 H 0.656652 0.451711 0.447714 0.027 Uiso 1 1 calc R U . . .
C81 C 0.7677(3) 0.8122(2) 0.51984(12) 0.0236(5) Uani 1 1 d . . . . .
H81 H 0.844390 0.800794 0.539182 0.028 Uiso 1 1 calc R U . . .
C42 C 0.7729(3) 0.2274(2) 0.53356(13) 0.0254(6) Uani 1 1 d . . . . .
H42 H 0.818455 0.144900 0.530598 0.030 Uiso 1 1 calc R U . . .
C100 C 0.3965(2) 1.0664(2) 0.87606(11) 0.0163(5) Uani 1 1 d . . . . .
C54 C 0.3577(3) 0.3231(2) 0.71218(13) 0.0232(5) Uani 1 1 d . . . . .
H54 H 0.306859 0.291945 0.689958 0.028 Uiso 1 1 calc R U . . .
C53 C 0.3448(3) 0.3234(2) 0.77651(13) 0.0237(5) Uani 1 1 d . . . . .
H53 H 0.283837 0.294088 0.798406 0.028 Uiso 1 1 calc R U . . .
C35 C 0.6272(3) 0.6170(2) 0.96449(12) 0.0200(5) Uani 1 1 d . . . . .
H35 H 0.557137 0.674780 0.947495 0.024 Uiso 1 1 calc R U . . .
C70 C 0.8407(2) 0.6351(2) 0.62548(11) 0.0154(4) Uani 1 1 d . . . . .
C2 C 1.0214(3) 0.9239(3) 0.67832(16) 0.0339(7) Uani 1 1 d . . . . .
H2A H 0.965706 0.880978 0.696368 0.041 Uiso 1 1 calc R U . . .
H2B H 1.114257 0.873990 0.680211 0.041 Uiso 1 1 calc R U . . .
C82 C 0.7591(3) 0.8541(3) 0.46010(13) 0.0320(7) Uani 1 1 d . . . . .
H82 H 0.829370 0.872537 0.439040 0.038 Uiso 1 1 calc R U . . .
C71 C 0.9271(2) 0.6404(2) 0.66669(12) 0.0187(5) Uani 1 1 d . . . . .
H71 H 0.899595 0.700302 0.698589 0.022 Uiso 1 1 calc R U . . .
C32 C 0.8324(3) 0.4478(2) 1.01466(12) 0.0235(5) Uani 1 1 d . . . . .
H32 H 0.902317 0.390557 1.031982 0.028 Uiso 1 1 calc R U . . .
C23 C 1.0861(3) 0.8156(3) 0.88146(13) 0.0244(6) Uani 1 1 d . . . . .
H23 H 1.146037 0.854427 0.885379 0.029 Uiso 1 1 calc R U . . .
C102 C 0.2165(3) 1.2345(2) 0.92495(12) 0.0212(5) Uani 1 1 d . . . . .
H102 H 0.185998 1.302740 0.951721 0.025 Uiso 1 1 calc R U . . .
C101 C 0.3500(2) 1.1660(2) 0.91611(11) 0.0183(5) Uani 1 1 d . . . . .
H101 H 0.409674 1.187284 0.937446 0.022 Uiso 1 1 calc R U . . .
C43 C 0.7427(3) 0.2892(3) 0.47985(13) 0.0269(6) Uani 1 1 d . . . . .
H43 H 0.767159 0.248963 0.440352 0.032 Uiso 1 1 calc R U . . .
C52 C 0.4208(3) 0.3664(2) 0.80872(12) 0.0235(5) Uani 1 1 d . . . . .
H52 H 0.412477 0.365501 0.852776 0.028 Uiso 1 1 calc R U . . .
C75 C 0.8836(2) 0.5467(2) 0.57864(11) 0.0184(5) Uani 1 1 d . . . . .
H75 H 0.825958 0.543705 0.549741 0.022 Uiso 1 1 calc R U . . .
C33 C 0.7045(3) 0.4801(2) 1.04414(13) 0.0256(6) Uani 1 1 d . . . . .
H33 H 0.687190 0.443364 1.080971 0.031 Uiso 1 1 calc R U . . .
C74 C 1.0092(3) 0.4634(2) 0.57388(12) 0.0226(5) Uani 1 1 d . . . . .
H74 H 1.036608 0.402598 0.542469 0.027 Uiso 1 1 calc R U . . .
C104 C 0.1743(3) 1.1059(2) 0.85382(14) 0.0246(6) Uani 1 1 d . . . . .
H104 H 0.114369 1.085374 0.832357 0.030 Uiso 1 1 calc R U . . .
C73 C 1.0945(3) 0.4687(3) 0.61468(13) 0.0261(6) Uani 1 1 d . . . . .
H73 H 1.180895 0.411979 0.611233 0.031 Uiso 1 1 calc R U . . .
C34 C 0.6030(3) 0.5655(3) 1.01990(12) 0.0244(6) Uani 1 1 d . . . . .
H34 H 0.516498 0.589275 1.040925 0.029 Uiso 1 1 calc R U . . .
C84 C 0.5470(3) 0.8409(3) 0.46139(13) 0.0299(6) Uani 1 1 d . . . . .
H84 H 0.472604 0.848728 0.440869 0.036 Uiso 1 1 calc R U . . .
C90 C 0.6550(2) 1.0477(2) 0.89892(11) 0.0169(5) Uani 1 1 d . . . . .
C83 C 0.6485(4) 0.8688(3) 0.43129(13) 0.0345(7) Uani 1 1 d . . . . .
H83 H 0.642617 0.898209 0.390727 0.041 Uiso 1 1 calc R U . . .
C105 C 0.3070(3) 1.0388(2) 0.84411(13) 0.0219(5) Uani 1 1 d . . . . .
H105 H 0.337517 0.973357 0.815401 0.026 Uiso 1 1 calc R U . . .
C92 C 0.8019(3) 1.1554(3) 0.89518(16) 0.0349(7) Uani 1 1 d . . . . .
H92 H 0.858824 1.186728 0.871400 0.042 Uiso 1 1 calc R U . . .
C72 C 1.0539(3) 0.5574(3) 0.66094(13) 0.0241(5) Uani 1 1 d . . . . .
H72 H 1.113074 0.561353 0.688803 0.029 Uiso 1 1 calc R U . . .
C93 C 0.7805(3) 1.1730(3) 0.95912(15) 0.0325(7) Uani 1 1 d . . . . .
H93 H 0.820381 1.218310 0.979084 0.039 Uiso 1 1 calc R U . . .
C24 C 0.9745(3) 0.8429(2) 0.92305(13) 0.0222(5) Uani 1 1 d . . . . .
H24 H 0.957608 0.900112 0.955682 0.027 Uiso 1 1 calc R U . . .
C95 C 0.6394(3) 1.0613(3) 0.96374(12) 0.0227(5) Uani 1 1 d . . . . .
H95 H 0.585914 1.026937 0.987788 0.027 Uiso 1 1 calc R U . . .
C94 C 0.7008(3) 1.1243(3) 0.99375(14) 0.0279(6) Uani 1 1 d . . . . .
H94 H 0.687850 1.133730 1.037759 0.034 Uiso 1 1 calc R U . . .
C91 C 0.7408(3) 1.0923(3) 0.86547(14) 0.0282(6) Uani 1 1 d . . . . .
H91 H 0.758011 1.079545 0.821643 0.034 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Ga1 3.0780(4) . ?
Pt1 Cl2 2.3587(6) . ?
Pt1 P2 2.2574(6) . ?
Pt1 Cl3 2.3368(6) . ?
Pt1 P3 2.2516(6) . ?
Ga1 Cl1 2.1895(6) . ?
Ga1 P1 2.5429(7) . ?
Ga1 C10 2.010(2) . ?
Ga1 C60 1.993(2) . ?
P2 C15 1.829(2) . ?
P2 C50 1.820(2) . ?
P2 C40 1.819(2) . ?
P1 C20 1.812(2) . ?
P1 C30 1.816(2) . ?
P1 C11 1.814(2) . ?
P3 C80 1.827(2) . ?
P3 C61 1.822(2) . ?
P3 C70 1.821(2) . ?
P4 C65 1.839(2) . ?
P4 C100 1.846(3) . ?
P4 C90 1.844(3) . ?
Cl5 C2 1.757(3) . ?
Cl4 C2 1.760(4) . ?
C10 C11 1.407(3) . ?
C10 C15 1.402(3) . ?
C20 C25 1.394(3) . ?
C20 C21 1.393(3) . ?
C60 C65 1.412(3) . ?
C60 C61 1.416(3) . ?
C30 C31 1.399(3) . ?
C30 C35 1.392(3) . ?
C12 H12 0.9500 . ?
C12 C11 1.396(3) . ?
C12 C13 1.384(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.397(3) . ?
C14 C13 1.395(3) . ?
C62 H62 0.9500 . ?
C62 C61 1.396(3) . ?
C62 C63 1.371(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.384(4) . ?
C50 C55 1.401(3) . ?
C50 C51 1.398(3) . ?
C40 C45 1.399(3) . ?
C40 C41 1.398(3) . ?
C65 C64 1.406(3) . ?
C80 C85 1.396(4) . ?
C80 C81 1.406(4) . ?
C13 H13 0.9500 . ?
C25 H25 0.9500 . ?
C25 C24 1.392(4) . ?
C45 H45 0.9500 . ?
C45 C44 1.386(3) . ?
C55 H55 0.9500 . ?
C55 C54 1.388(4) . ?
C64 H64 0.9500 . ?
C64 C63 1.383(4) . ?
C41 H41 0.9500 . ?
C41 C42 1.391(4) . ?
C51 H51 0.9500 . ?
C51 C52 1.392(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.393(4) . ?
C63 H63 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.393(4) . ?
C103 H103 0.9500 . ?
C103 C102 1.381(4) . ?
C103 C104 1.393(4) . ?
C85 H85 0.9500 . ?
C85 C84 1.391(4) . ?
C44 H44 0.9500 . ?
C44 C43 1.384(4) . ?
C81 H81 0.9500 . ?
C81 C82 1.393(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.394(4) . ?
C100 C101 1.399(3) . ?
C100 C105 1.397(3) . ?
C54 H54 0.9500 . ?
C54 C53 1.386(4) . ?
C53 H53 0.9500 . ?
C53 C52 1.382(4) . ?
C35 H35 0.9500 . ?
C35 C34 1.399(4) . ?
C70 C71 1.393(3) . ?
C70 C75 1.397(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C82 H82 0.9500 . ?
C82 C83 1.385(5) . ?
C71 H71 0.9500 . ?
C71 C72 1.392(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.394(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.375(4) . ?
C102 H102 0.9500 . ?
C102 C101 1.398(4) . ?
C101 H101 0.9500 . ?
C43 H43 0.9500 . ?
C52 H52 0.9500 . ?
C75 H75 0.9500 . ?
C75 C74 1.385(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.382(4) . ?
C74 H74 0.9500 . ?
C74 C73 1.378(4) . ?
C104 H104 0.9500 . ?
C104 C105 1.387(4) . ?
C73 H73 0.9500 . ?
C73 C72 1.391(4) . ?
C34 H34 0.9500 . ?
C84 H84 0.9500 . ?
C84 C83 1.377(5) . ?
C90 C95 1.400(3) . ?
C90 C91 1.388(4) . ?
C83 H83 0.9500 . ?
C105 H105 0.9500 . ?
C92 H92 0.9500 . ?
C92 C93 1.384(5) . ?
C92 C91 1.389(4) . ?
C72 H72 0.9500 . ?
C93 H93 0.9500 . ?
C93 C94 1.383(5) . ?
C24 H24 0.9500 . ?
C95 H95 0.9500 . ?
C95 C94 1.394(4) . ?
C94 H94 0.9500 . ?
C91 H91 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
Cl2 Pt1 Ga1 93.986(17) . . ?
P2 Pt1 Ga1 84.894(16) . . ?
P2 Pt1 Cl2 175.76(2) . . ?
P2 Pt1 Cl3 90.99(2) . . ?
Cl3 Pt1 Ga1 112.842(16) . . ?
Cl3 Pt1 Cl2 85.67(2) . . ?
P3 Pt1 Ga1 75.555(17) . . ?
P3 Pt1 Cl2 85.98(2) . . ?
P3 Pt1 P2 97.67(2) . . ?
P3 Pt1 Cl3 168.56(2) . . ?
Cl1 Ga1 Pt1 88.559(18) . . ?
Cl1 Ga1 P1 104.99(2) . . ?
P1 Ga1 Pt1 153.107(17) . . ?
C10 Ga1 Pt1 84.65(7) . . ?
C10 Ga1 Cl1 114.91(7) . . ?
C10 Ga1 P1 68.63(7) . . ?
C60 Ga1 Pt1 85.66(7) . . ?
C60 Ga1 Cl1 118.83(7) . . ?
C60 Ga1 P1 106.81(7) . . ?
C60 Ga1 C10 124.97(9) . . ?
C15 P2 Pt1 112.37(8) . . ?
C50 P2 Pt1 111.93(8) . . ?
C50 P2 C15 103.87(11) . . ?
C40 P2 Pt1 113.82(8) . . ?
C40 P2 C15 110.96(11) . . ?
C40 P2 C50 103.07(11) . . ?
C20 P1 Ga1 126.18(8) . . ?
C20 P1 C30 105.16(11) . . ?
C20 P1 C11 110.87(11) . . ?
C30 P1 Ga1 124.10(8) . . ?
C11 P1 Ga1 76.68(8) . . ?
C11 P1 C30 106.67(11) . . ?
C80 P3 Pt1 110.94(9) . . ?
C61 P3 Pt1 107.61(8) . . ?
C61 P3 C80 107.95(11) . . ?
C70 P3 Pt1 121.29(8) . . ?
C70 P3 C80 101.34(11) . . ?
C70 P3 C61 106.99(11) . . ?
C65 P4 C100 99.82(11) . . ?
C65 P4 C90 105.17(11) . . ?
C90 P4 C100 102.14(11) . . ?
C11 C10 Ga1 106.55(16) . . ?
C15 C10 Ga1 134.36(17) . . ?
C15 C10 C11 118.9(2) . . ?
C25 C20 P1 117.16(18) . . ?
C21 C20 P1 122.77(19) . . ?
C21 C20 C25 119.8(2) . . ?
C65 C60 Ga1 121.81(17) . . ?
C65 C60 C61 117.2(2) . . ?
C61 C60 Ga1 120.90(17) . . ?
C31 C30 P1 121.17(19) . . ?
C35 C30 P1 119.03(19) . . ?
C35 C30 C31 119.7(2) . . ?
C11 C12 H12 120.7 . . ?
C13 C12 H12 120.7 . . ?
C13 C12 C11 118.6(2) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C15 120.8(2) . . ?
C61 C62 H62 119.9 . . ?
C63 C62 H62 119.9 . . ?
C63 C62 C61 120.2(2) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120.2(2) . . ?
C32 C31 H31 119.9 . . ?
C10 C11 P1 107.24(17) . . ?
C12 C11 P1 131.10(19) . . ?
C12 C11 C10 121.6(2) . . ?
C10 C15 P2 116.68(17) . . ?
C14 C15 P2 123.95(18) . . ?
C14 C15 C10 119.3(2) . . ?
C55 C50 P2 119.39(18) . . ?
C51 C50 P2 120.83(18) . . ?
C51 C50 C55 119.3(2) . . ?
C45 C40 P2 118.98(18) . . ?
C41 C40 P2 122.03(18) . . ?
C41 C40 C45 118.9(2) . . ?
C60 C65 P4 120.57(18) . . ?
C64 C65 P4 119.32(18) . . ?
C64 C65 C60 120.0(2) . . ?
C85 C80 P3 121.2(2) . . ?
C85 C80 C81 119.2(2) . . ?
C81 C80 P3 119.6(2) . . ?
C12 C13 C14 120.7(2) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C20 C25 H25 119.8 . . ?
C24 C25 C20 120.3(2) . . ?
C24 C25 H25 119.8 . . ?
C40 C45 H45 119.7 . . ?
C44 C45 C40 120.6(2) . . ?
C44 C45 H45 119.7 . . ?
C50 C55 H55 119.9 . . ?
C54 C55 C50 120.2(2) . . ?
C54 C55 H55 119.9 . . ?
C60 C61 P3 119.11(17) . . ?
C62 C61 P3 119.00(18) . . ?
C62 C61 C60 121.5(2) . . ?
C65 C64 H64 119.5 . . ?
C63 C64 C65 121.0(2) . . ?
C63 C64 H64 119.5 . . ?
C40 C41 H41 119.9 . . ?
C42 C41 C40 120.2(2) . . ?
C42 C41 H41 119.9 . . ?
C50 C51 H51 120.2 . . ?
C52 C51 C50 119.6(2) . . ?
C52 C51 H51 120.2 . . ?
C20 C21 H21 120.2 . . ?
C22 C21 C20 119.6(2) . . ?
C22 C21 H21 120.2 . . ?
C62 C63 C64 119.9(2) . . ?
C62 C63 H63 120.1 . . ?
C64 C63 H63 120.1 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.0(3) . . ?
C23 C22 H22 120.0 . . ?
C102 C103 H103 120.2 . . ?
C102 C103 C104 119.6(2) . . ?
C104 C103 H103 120.2 . . ?
C80 C85 H85 120.0 . . ?
C84 C85 C80 119.9(3) . . ?
C84 C85 H85 120.0 . . ?
C45 C44 H44 119.9 . . ?
C43 C44 C45 120.2(2) . . ?
C43 C44 H44 119.9 . . ?
C80 C81 H81 120.1 . . ?
C82 C81 C80 119.8(3) . . ?
C82 C81 H81 120.1 . . ?
C41 C42 H42 119.9 . . ?
C41 C42 C43 120.2(3) . . ?
C43 C42 H42 119.9 . . ?
C101 C100 P4 123.94(19) . . ?
C105 C100 P4 117.29(19) . . ?
C105 C100 C101 118.6(2) . . ?
C55 C54 H54 119.9 . . ?
C53 C54 C55 120.1(3) . . ?
C53 C54 H54 119.9 . . ?
C54 C53 H53 120.1 . . ?
C52 C53 C54 119.9(2) . . ?
C52 C53 H53 120.1 . . ?
C30 C35 H35 120.1 . . ?
C30 C35 C34 119.7(2) . . ?
C34 C35 H35 120.1 . . ?
C71 C70 P3 122.67(19) . . ?
C71 C70 C75 119.1(2) . . ?
C75 C70 P3 118.18(19) . . ?
Cl5 C2 Cl4 109.99(17) . . ?
Cl5 C2 H2A 109.7 . . ?
Cl5 C2 H2B 109.7 . . ?
Cl4 C2 H2A 109.7 . . ?
Cl4 C2 H2B 109.7 . . ?
H2A C2 H2B 108.2 . . ?
C81 C82 H82 119.9 . . ?
C83 C82 C81 120.3(3) . . ?
C83 C82 H82 119.9 . . ?
C70 C71 H71 120.1 . . ?
C72 C71 C70 119.7(2) . . ?
C72 C71 H71 120.1 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0(2) . . ?
C33 C32 H32 120.0 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.5(2) . . ?
C24 C23 H23 119.8 . . ?
C103 C102 H102 119.8 . . ?
C103 C102 C101 120.3(2) . . ?
C101 C102 H102 119.8 . . ?
C100 C101 H101 119.8 . . ?
C102 C101 C100 120.4(2) . . ?
C102 C101 H101 119.8 . . ?
C44 C43 C42 119.8(2) . . ?
C44 C43 H43 120.1 . . ?
C42 C43 H43 120.1 . . ?
C51 C52 H52 119.6 . . ?
C53 C52 C51 120.8(2) . . ?
C53 C52 H52 119.6 . . ?
C70 C75 H75 119.6 . . ?
C74 C75 C70 120.7(2) . . ?
C74 C75 H75 119.6 . . ?
C32 C33 H33 119.9 . . ?
C34 C33 C32 120.2(2) . . ?
C34 C33 H33 119.9 . . ?
C75 C74 H74 120.0 . . ?
C73 C74 C75 120.0(3) . . ?
C73 C74 H74 120.0 . . ?
C103 C104 H104 119.9 . . ?
C105 C104 C103 120.2(2) . . ?
C105 C104 H104 119.9 . . ?
C74 C73 H73 120.1 . . ?
C74 C73 C72 119.9(3) . . ?
C72 C73 H73 120.1 . . ?
C35 C34 H34 119.9 . . ?
C33 C34 C35 120.2(3) . . ?
C33 C34 H34 119.9 . . ?
C85 C84 H84 119.7 . . ?
C83 C84 C85 120.6(3) . . ?
C83 C84 H84 119.7 . . ?
C95 C90 P4 115.35(19) . . ?
C91 C90 P4 126.8(2) . . ?
C91 C90 C95 117.7(2) . . ?
C82 C83 H83 120.0 . . ?
C84 C83 C82 120.0(3) . . ?
C84 C83 H83 120.0 . . ?
C100 C105 H105 119.6 . . ?
C104 C105 C100 120.8(2) . . ?
C104 C105 H105 119.6 . . ?
C93 C92 H92 119.7 . . ?
C93 C92 C91 120.6(3) . . ?
C91 C92 H92 119.7 . . ?
C71 C72 H72 119.8 . . ?
C73 C72 C71 120.5(2) . . ?
C73 C72 H72 119.8 . . ?
C92 C93 H93 120.2 . . ?
C94 C93 C92 119.6(3) . . ?
C94 C93 H93 120.2 . . ?
C25 C24 H24 120.1 . . ?
C23 C24 C25 119.8(2) . . ?
C23 C24 H24 120.1 . . ?
C90 C95 H95 119.3 . . ?
C94 C95 C90 121.4(3) . . ?
C94 C95 H95 119.3 . . ?
C93 C94 C95 119.7(3) . . ?
C93 C94 H94 120.2 . . ?
C95 C94 H94 120.2 . . ?
C90 C91 C92 120.9(3) . . ?
C90 C91 H91 119.5 . . ?
C92 C91 H91 119.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 P2 C15 C10 29.1(2) . . . . ?
Pt1 P2 C15 C14 -154.78(18) . . . . ?
Pt1 P2 C50 C55 87.0(2) . . . . ?
Pt1 P2 C50 C51 -85.2(2) . . . . ?
Pt1 P2 C40 C45 1.2(2) . . . . ?
Pt1 P2 C40 C41 -175.33(18) . . . . ?
Pt1 P3 C80 C85 8.3(2) . . . . ?
Pt1 P3 C80 C81 -172.16(18) . . . . ?
Pt1 P3 C61 C60 44.2(2) . . . . ?
Pt1 P3 C61 C62 -128.61(18) . . . . ?
Pt1 P3 C70 C71 -107.8(2) . . . . ?
Pt1 P3 C70 C75 71.0(2) . . . . ?
Ga1 P1 C20 C25 98.43(19) . . . . ?
Ga1 P1 C20 C21 -75.2(2) . . . . ?
Ga1 P1 C30 C31 148.03(17) . . . . ?
Ga1 P1 C30 C35 -29.4(2) . . . . ?
Ga1 P1 C11 C10 -7.44(14) . . . . ?
Ga1 P1 C11 C12 175.0(3) . . . . ?
Ga1 C10 C11 P1 9.58(18) . . . . ?
Ga1 C10 C11 C12 -172.6(2) . . . . ?
Ga1 C10 C15 P2 -13.3(3) . . . . ?
Ga1 C10 C15 C14 170.37(19) . . . . ?
Ga1 C60 C65 P4 3.7(3) . . . . ?
Ga1 C60 C65 C64 -171.85(18) . . . . ?
Ga1 C60 C61 P3 4.0(3) . . . . ?
Ga1 C60 C61 C62 176.66(18) . . . . ?
P2 C50 C55 C54 -172.2(2) . . . . ?
P2 C50 C51 C52 171.5(2) . . . . ?
P2 C40 C45 C44 -178.5(2) . . . . ?
P2 C40 C41 C42 178.5(2) . . . . ?
P1 C20 C25 C24 -173.50(19) . . . . ?
P1 C20 C21 C22 173.0(2) . . . . ?
P1 C30 C31 C32 -176.0(2) . . . . ?
P1 C30 C35 C34 176.7(2) . . . . ?
P3 C80 C85 C84 179.0(2) . . . . ?
P3 C80 C81 C82 -177.7(2) . . . . ?
P3 C70 C71 C72 178.3(2) . . . . ?
P3 C70 C75 C74 -177.3(2) . . . . ?
P4 C65 C64 C63 178.5(2) . . . . ?
P4 C100 C101 C102 -173.1(2) . . . . ?
P4 C100 C105 C104 172.4(2) . . . . ?
P4 C90 C95 C94 179.7(2) . . . . ?
P4 C90 C91 C92 -179.3(2) . . . . ?
C20 P1 C30 C31 -54.7(2) . . . . ?
C20 P1 C30 C35 127.8(2) . . . . ?
C20 P1 C11 C10 -131.42(16) . . . . ?
C20 P1 C11 C12 51.0(3) . . . . ?
C20 C25 C24 C23 0.0(4) . . . . ?
C20 C21 C22 C23 0.2(4) . . . . ?
C60 C65 C64 C63 -5.9(4) . . . . ?
C30 P1 C20 C25 -58.2(2) . . . . ?
C30 P1 C20 C21 128.2(2) . . . . ?
C30 P1 C11 C10 114.60(17) . . . . ?
C30 P1 C11 C12 -63.0(3) . . . . ?
C30 C31 C32 C33 -0.2(4) . . . . ?
C30 C35 C34 C33 -1.0(4) . . . . ?
C31 C30 C35 C34 -0.8(4) . . . . ?
C31 C32 C33 C34 -1.6(4) . . . . ?
C11 P1 C20 C25 -173.10(18) . . . . ?
C11 P1 C20 C21 13.3(3) . . . . ?
C11 P1 C30 C31 63.1(2) . . . . ?
C11 P1 C30 C35 -114.4(2) . . . . ?
C11 C10 C15 P2 172.65(17) . . . . ?
C11 C10 C15 C14 -3.7(3) . . . . ?
C11 C12 C13 C14 -2.0(4) . . . . ?
C15 P2 C50 C55 -151.5(2) . . . . ?
C15 P2 C50 C51 36.3(2) . . . . ?
C15 P2 C40 C45 -126.74(19) . . . . ?
C15 P2 C40 C41 56.8(2) . . . . ?
C15 C10 C11 P1 -174.87(17) . . . . ?
C15 C10 C11 C12 3.0(3) . . . . ?
C15 C14 C13 C12 1.3(4) . . . . ?
C50 P2 C15 C10 -92.07(19) . . . . ?
C50 P2 C15 C14 84.1(2) . . . . ?
C50 P2 C40 C45 122.6(2) . . . . ?
C50 P2 C40 C41 -53.9(2) . . . . ?
C50 C55 C54 C53 0.8(4) . . . . ?
C50 C51 C52 C53 0.2(4) . . . . ?
C40 P2 C15 C10 157.81(17) . . . . ?
C40 P2 C15 C14 -26.1(2) . . . . ?
C40 P2 C50 C55 -35.7(2) . . . . ?
C40 P2 C50 C51 152.1(2) . . . . ?
C40 C45 C44 C43 1.1(4) . . . . ?
C40 C41 C42 C43 -1.2(4) . . . . ?
C65 P4 C100 C101 -127.2(2) . . . . ?
C65 P4 C100 C105 58.0(2) . . . . ?
C65 P4 C90 C95 -179.91(19) . . . . ?
C65 P4 C90 C91 -4.9(3) . . . . ?
C65 C60 C61 P3 -172.05(17) . . . . ?
C65 C60 C61 C62 0.6(3) . . . . ?
C65 C64 C63 C62 2.7(4) . . . . ?
C80 P3 C61 C60 164.02(19) . . . . ?
C80 P3 C61 C62 -8.8(2) . . . . ?
C80 P3 C70 C71 128.9(2) . . . . ?
C80 P3 C70 C75 -52.3(2) . . . . ?
C80 C85 C84 C83 -1.4(4) . . . . ?
C80 C81 C82 C83 -1.2(4) . . . . ?
C13 C12 C11 P1 177.1(2) . . . . ?
C13 C12 C11 C10 -0.2(4) . . . . ?
C13 C14 C15 P2 -174.4(2) . . . . ?
C13 C14 C15 C10 1.6(4) . . . . ?
C25 C20 C21 C22 -0.4(4) . . . . ?
C45 C40 C41 C42 1.9(4) . . . . ?
C45 C44 C43 C42 -0.3(4) . . . . ?
C55 C50 C51 C52 -0.7(4) . . . . ?
C55 C54 C53 C52 -1.4(4) . . . . ?
C61 P3 C80 C85 -109.3(2) . . . . ?
C61 P3 C80 C81 70.2(2) . . . . ?
C61 P3 C70 C71 15.9(2) . . . . ?
C61 P3 C70 C75 -165.27(19) . . . . ?
C61 C60 C65 P4 179.68(17) . . . . ?
C61 C60 C65 C64 4.2(3) . . . . ?
C61 C62 C63 C64 2.2(4) . . . . ?
C41 C40 C45 C44 -1.9(4) . . . . ?
C41 C42 C43 C44 0.3(4) . . . . ?
C51 C50 C55 C54 0.2(4) . . . . ?
C21 C20 C25 C24 0.3(4) . . . . ?
C21 C22 C23 C24 0.2(4) . . . . ?
C63 C62 C61 P3 168.8(2) . . . . ?
C63 C62 C61 C60 -3.8(4) . . . . ?
C22 C23 C24 C25 -0.3(4) . . . . ?
C103 C102 C101 C100 1.0(4) . . . . ?
C103 C104 C105 C100 1.2(4) . . . . ?
C85 C80 C81 C82 1.8(4) . . . . ?
C85 C84 C83 C82 2.1(5) . . . . ?
C81 C80 C85 C84 -0.5(4) . . . . ?
C81 C82 C83 C84 -0.7(5) . . . . ?
C100 P4 C65 C60 -114.4(2) . . . . ?
C100 P4 C65 C64 61.2(2) . . . . ?
C100 P4 C90 C95 76.3(2) . . . . ?
C100 P4 C90 C91 -108.7(3) . . . . ?
C54 C53 C52 C51 0.8(4) . . . . ?
C35 C30 C31 C32 1.4(4) . . . . ?
C70 P3 C80 C85 138.4(2) . . . . ?
C70 P3 C80 C81 -42.1(2) . . . . ?
C70 P3 C61 C60 -87.6(2) . . . . ?
C70 P3 C61 C62 99.6(2) . . . . ?
C70 C71 C72 C73 -0.6(4) . . . . ?
C70 C75 C74 C73 -1.5(4) . . . . ?
C71 C70 C75 C74 1.5(4) . . . . ?
C32 C33 C34 C35 2.2(4) . . . . ?
C102 C103 C104 C105 1.5(4) . . . . ?
C101 C100 C105 C104 -2.7(4) . . . . ?
C75 C70 C71 C72 -0.5(4) . . . . ?
C75 C74 C73 C72 0.5(4) . . . . ?
C74 C73 C72 C71 0.6(4) . . . . ?
C104 C103 C102 C101 -2.5(4) . . . . ?
C90 P4 C65 C60 140.10(19) . . . . ?
C90 P4 C65 C64 -44.4(2) . . . . ?
C90 P4 C100 C101 -19.2(2) . . . . ?
C90 P4 C100 C105 166.0(2) . . . . ?
C90 C95 C94 C93 -1.1(4) . . . . ?
C105 C100 C101 C102 1.6(4) . . . . ?
C92 C93 C94 C95 -2.1(5) . . . . ?
C93 C92 C91 C90 1.4(5) . . . . ?
C95 C90 C91 C92 -4.4(4) . . . . ?
C91 C90 C95 C94 4.3(4) . . . . ?
C91 C92 C93 C94 2.0(5) . . . . ?

