# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_wyl-230415_mo
_database_code_depnum_ccdc_archive 'CCDC 1410442'
_audit_update_record             
;
2015-07-08 deposited with the CCDC.
2017-08-29 downloaded from the CCDC.
;
_audit_creation_date             2015-07-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C72 H48 Cl3 F9 P3 Pd3 S3, C F3 O3 S'
_chemical_formula_sum            'C73 H48 Cl3 F12 O3 P3 Pd3 S4'
_chemical_formula_weight         1847.81
_chemical_melting_point          ?
_chemical_oxdiff_formula         C73H48Cl3F12O3P3Pd3S4
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
S S 0.1246 0.1234 '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                   10.4508(5)
_cell_length_b                   24.6808(11)
_cell_length_c                   29.1391(13)
_cell_angle_alpha                90
_cell_angle_beta                 94.151(4)
_cell_angle_gamma                90
_cell_volume                     7496.3(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15365
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.3670
_cell_measurement_theta_min      2.5670
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.070
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.32a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3664
_exptl_crystal_size_max          0.123
_exptl_crystal_size_mid          0.114
_exptl_crystal_size_min          0.106
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_unetI/netI     0.0485
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            62641
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.189
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 PILT
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -103.00  77.00   0.25   20.00    --  -13.00 -15.00 108.00  720
  2  ω    -61.00  30.00   0.25   20.00    --  -13.00 -44.00 144.00  364
  3  ω    -76.25   8.00   0.25   20.00    --  -13.00 -72.00 108.00  337
  4  ω    -40.00   5.00   0.25   20.00    --  -13.00  72.00   0.00  180
;
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  Rigaku_XtaLabPro
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support Fiber
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0613140000
_diffrn_orient_matrix_UB_12      0.0073881000
_diffrn_orient_matrix_UB_13      -0.0069231000
_diffrn_orient_matrix_UB_21      0.0218756000
_diffrn_orient_matrix_UB_22      0.0041968000
_diffrn_orient_matrix_UB_23      0.0233324000
_diffrn_orient_matrix_UB_31      0.0198736000
_diffrn_orient_matrix_UB_32      -0.0274566000
_diffrn_orient_matrix_UB_33      0.0017056000
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   MicroMax003_Mo
_diffrn_source_current           0.6
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_source_voltage           50.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12961
_reflns_number_total             16722
_reflns_odcompleteness_completeness 97.05
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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       'CrysAlisPro 1.171.38.32a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.32a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.32a (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.570
_refine_diff_density_min         -0.455
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     947
_refine_ls_number_reflns         16722
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0386
_refine_ls_restrained_S_all      1.077
_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)+(0.0344P)²+2.2209P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0821
_refine_ls_wR_factor_ref         0.0928
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Sof(S5)=Sof(C74)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O4)=Sof(O5)=Sof(O6)=1-FVAR(1)
 Sof(S4)=Sof(C73)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(O1)=Sof(O2)=Sof(O3)=FVAR(1)
3.a Free rotating group:
 S4(C73,F10,F11,F12,O1,O2,O3), S5(C74,F13,F14,F15,O4,O5,O6)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C11(H11), C13(H13), C14(H14),
 C16(H16), C17(H17), C19(H19), C20(H20), C22(H22), C23(H23), C25(H25), C26(H26),
  C28(H28), C29(H29), C31(H31), C32(H32), C34(H34), C35(H35), C37(H37),
 C38(H38), C40(H40), C41(H41), C43(H43), C44(H44), C46(H46), C47(H47), C48(H48),
  C49(H49), C51(H51), C52(H52), C55(H55), C56(H56), C58(H58), C59(H59),
 C61(H61), C62(H62), C64(H64), C65(H65), C67(H67), C68(H68), C70(H70), C71(H71),
  C72(H72)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1198(3) 0.24943(13) 0.19968(11) 0.0458(7) Uani 1 1 d . . . . .
C2 C 0.1519(4) 0.23367(15) 0.15627(12) 0.0625(10) Uani 1 1 d . . . . .
H2 H 0.2248 0.2481 0.1444 0.075 Uiso 1 1 calc R . . . .
C3 C 0.0769(4) 0.19672(17) 0.13022(15) 0.0772(12) Uani 1 1 d . . . . .
H3 H 0.0988 0.1863 0.1011 0.093 Uiso 1 1 calc R . . . .
C4 C -0.0292(4) 0.17626(16) 0.14834(14) 0.0668(10) Uani 1 1 d . . . . .
C5 C -0.0653(4) 0.19106(16) 0.19045(14) 0.0695(11) Uani 1 1 d . . . . .
H5 H -0.1394 0.1770 0.2017 0.083 Uiso 1 1 calc R . . . .
C6 C 0.0107(3) 0.22765(15) 0.21617(12) 0.0594(9) Uani 1 1 d . . . . .
H6 H -0.0125 0.2377 0.2452 0.071 Uiso 1 1 calc R . . . .
C7 C 0.3711(3) 0.30374(12) 0.21196(11) 0.0447(7) Uani 1 1 d . . . . .
C8 C 0.4797(3) 0.28492(16) 0.23638(13) 0.0612(9) Uani 1 1 d . . . . .
H8 H 0.4726 0.2665 0.2639 0.073 Uiso 1 1 calc R . . . .
C9 C 0.6000(4) 0.29328(19) 0.22018(16) 0.0807(13) Uani 1 1 d . . . . .
H9 H 0.6734 0.2802 0.2365 0.097 Uiso 1 1 calc R . . . .
C10 C 0.6088(4) 0.32055(18) 0.18047(16) 0.0736(12) Uani 1 1 d . . . . .
C11 C 0.5050(4) 0.34020(17) 0.15497(14) 0.0713(11) Uani 1 1 d . . . . .
H11 H 0.5143 0.3588 0.1277 0.086 Uiso 1 1 calc R . . . .
C12 C 0.1432(3) 0.36272(13) 0.22288(10) 0.0470(8) Uani 1 1 d . . . . .
C13 C 0.2139(3) 0.40846(14) 0.23598(11) 0.0537(9) Uani 1 1 d . . . . .
H13 H 0.2958 0.4044 0.2503 0.064 Uiso 1 1 calc R . . . .
C14 C 0.1651(4) 0.45967(15) 0.22824(13) 0.0623(10) Uani 1 1 d . . . . .
H14 H 0.2127 0.4902 0.2372 0.075 Uiso 1 1 calc R . . . .
C15 C 0.0461(5) 0.46425(18) 0.20737(17) 0.0852(13) Uani 1 1 d . . . . .
C16 C -0.0263(4) 0.4211(2) 0.19327(18) 0.0944(15) Uani 1 1 d . . . . .
H16 H -0.1075 0.4260 0.1785 0.113 Uiso 1 1 calc R . . . .
C17 C 0.0230(3) 0.36946(16) 0.20122(14) 0.0686(11) Uani 1 1 d . . . . .
H17 H -0.0255 0.3393 0.1919 0.082 Uiso 1 1 calc R . . . .
C18 C 0.1482(3) 0.06994(13) 0.41250(12) 0.0509(8) Uani 1 1 d . . . . .
C19 C 0.0421(3) 0.10273(16) 0.41207(15) 0.0711(11) Uani 1 1 d . . . . .
H19 H 0.0508 0.1398 0.4074 0.085 Uiso 1 1 calc R . . . .
C20 C -0.0784(4) 0.0813(2) 0.41857(19) 0.1004(16) Uani 1 1 d . . . . .
H20 H -0.1506 0.1034 0.4179 0.121 Uiso 1 1 calc R . . . .
C21 C -0.0872(4) 0.0274(2) 0.42588(19) 0.0982(16) Uani 1 1 d . . . . .
C22 C 0.0148(4) -0.00672(18) 0.42637(17) 0.0903(14) Uani 1 1 d . . . . .
H22 H 0.0049 -0.0436 0.4314 0.108 Uiso 1 1 calc R . . . .
C23 C 0.1334(4) 0.01473(15) 0.41923(15) 0.0720(11) Uani 1 1 d . . . . .
H23 H 0.2042 -0.0080 0.4189 0.086 Uiso 1 1 calc R . . . .
C24 C 0.3679(3) 0.05332(12) 0.36089(12) 0.0467(8) Uani 1 1 d . . . . .
C25 C 0.4918(4) 0.03385(15) 0.36534(13) 0.0621(10) Uani 1 1 d . . . . .
H25 H 0.5458 0.0431 0.3909 0.074 Uiso 1 1 calc R . . . .
C26 C 0.5362(4) 0.00016(18) 0.33131(16) 0.0813(13) Uani 1 1 d . . . . .
H26 H 0.6196 -0.0132 0.3341 0.098 Uiso 1 1 calc R . . . .
C27 C 0.4567(5) -0.01262(17) 0.29460(16) 0.0790(12) Uani 1 1 d . . . . .
C28 C 0.3348(4) 0.00643(15) 0.28838(14) 0.0730(11) Uani 1 1 d . . . . .
H28 H 0.2823 -0.0024 0.2623 0.088 Uiso 1 1 calc R . . . .
C29 C 0.2916(4) 0.03978(14) 0.32252(14) 0.0634(10) Uani 1 1 d . . . . .
H29 H 0.2084 0.0532 0.3191 0.076 Uiso 1 1 calc R . . . .
C30 C 0.4064(3) 0.09077(12) 0.45445(11) 0.0471(8) Uani 1 1 d . . . . .
C31 C 0.3688(4) 0.06382(14) 0.49303(13) 0.0591(9) Uani 1 1 d . . . . .
H31 H 0.2886 0.0474 0.4921 0.071 Uiso 1 1 calc R . . . .
C32 C 0.4491(4) 0.06091(16) 0.53306(14) 0.0685(11) Uani 1 1 d . . . . .
H32 H 0.4234 0.0427 0.5588 0.082 Uiso 1 1 calc R . . . .
C33 C 0.5643(4) 0.08486(16) 0.53386(13) 0.0638(10) Uani 1 1 d . . . . .
C34 C 0.6074(4) 0.11280(16) 0.49676(14) 0.0679(10) Uani 1 1 d . . . . .
H34 H 0.6882 0.1288 0.4983 0.081 Uiso 1 1 calc R . . . .
C35 C 0.5255(3) 0.11592(14) 0.45740(13) 0.0586(9) Uani 1 1 d . . . . .
H35 H 0.5509 0.1354 0.4323 0.070 Uiso 1 1 calc R . . . .
C36 C 0.1826(3) 0.38359(12) 0.48323(11) 0.0457(7) Uani 1 1 d . . . . .
C37 C 0.0715(3) 0.37012(15) 0.45682(13) 0.0596(9) Uani 1 1 d . . . . .
H37 H 0.0769 0.3496 0.4303 0.071 Uiso 1 1 calc R . . . .
C38 C -0.0478(4) 0.38689(17) 0.46939(16) 0.0768(12) Uani 1 1 d . . . . .
H38 H -0.1221 0.3775 0.4517 0.092 Uiso 1 1 calc R . . . .
C39 C -0.0539(4) 0.41698(18) 0.50761(17) 0.0756(12) Uani 1 1 d . . . . .
C40 C 0.0515(4) 0.43131(17) 0.53498(15) 0.0777(12) Uani 1 1 d . . . . .
H40 H 0.0436 0.4518 0.5614 0.093 Uiso 1 1 calc R . . . .
C41 C 0.1715(4) 0.41474(15) 0.52263(13) 0.0618(10) Uani 1 1 d . . . . .
H41 H 0.2447 0.4245 0.5408 0.074 Uiso 1 1 calc R . . . .
C42 C 0.4331(3) 0.33894(12) 0.51402(11) 0.0449(7) Uani 1 1 d . . . . .
C43 C 0.3828(4) 0.32055(16) 0.55319(14) 0.0689(11) Uani 1 1 d . . . . .
H43 H 0.2943 0.3210 0.5549 0.083 Uiso 1 1 calc R . . . .
C44 C 0.4594(5) 0.30129(18) 0.59020(15) 0.0826(13) Uani 1 1 d . . . . .
H44 H 0.4232 0.2892 0.6166 0.099 Uiso 1 1 calc R . . . .
C45 C 0.5870(4) 0.30038(17) 0.58746(15) 0.0767(12) Uani 1 1 d . . . . .
C46 C 0.6416(4) 0.3172(2) 0.54976(16) 0.0896(15) Uani 1 1 d . . . . .
H46 H 0.7300 0.3154 0.5482 0.108 Uiso 1 1 calc R . . . .
C47 C 0.5639(4) 0.33712(19) 0.51324(14) 0.0779(12) Uani 1 1 d . . . . .
H47 H 0.6016 0.3497 0.4873 0.093 Uiso 1 1 calc R . . . .
C48 C 0.5195(3) 0.41663(14) 0.41884(12) 0.0570(9) Uani 1 1 d . . . . .
H48 H 0.5475 0.3820 0.4118 0.068 Uiso 1 1 calc R . . . .
C49 C 0.5827(4) 0.46135(16) 0.40278(14) 0.0684(11) Uani 1 1 d . . . . .
H49 H 0.6538 0.4575 0.3856 0.082 Uiso 1 1 calc R . . . .
C50 C 0.5365(4) 0.51141(15) 0.41312(13) 0.0609(10) Uani 1 1 d . . . . .
C51 C 0.4348(4) 0.51953(14) 0.43765(13) 0.0654(10) Uani 1 1 d . . . . .
H51 H 0.4058 0.5543 0.4434 0.078 Uiso 1 1 calc R . . . .
C52 C 0.3738(3) 0.47434(13) 0.45430(12) 0.0555(9) Uani 1 1 d . . . . .
H52 H 0.3038 0.4791 0.4719 0.067 Uiso 1 1 calc R . . . .
C53 C 0.4151(3) 0.42255(12) 0.44527(11) 0.0442(7) Uani 1 1 d . . . . .
C54 C 0.3448(3) 0.15587(12) 0.27366(10) 0.0440(7) Uani 1 1 d . . . . .
C55 C 0.4710(3) 0.15577(14) 0.29105(12) 0.0544(9) Uani 1 1 d . . . . .
H55 H 0.4926 0.1704 0.3200 0.065 Uiso 1 1 calc R . . . .
C56 C 0.5653(4) 0.13419(15) 0.26601(14) 0.0650(10) Uani 1 1 d . . . . .
H56 H 0.6502 0.1337 0.2780 0.078 Uiso 1 1 calc R . . . .
C57 C 0.5321(4) 0.11327(15) 0.22306(14) 0.0667(11) Uani 1 1 d . . . . .
C58 C 0.4078(4) 0.11392(16) 0.20439(14) 0.0702(11) Uani 1 1 d . . . . .
H58 H 0.3873 0.1004 0.1750 0.084 Uiso 1 1 calc R . . . .
C59 C 0.3133(4) 0.13507(14) 0.23022(12) 0.0591(9) Uani 1 1 d . . . . .
H59 H 0.2284 0.1353 0.2183 0.071 Uiso 1 1 calc R . . . .
C60 C 0.1705(3) 0.39992(12) 0.34297(10) 0.0455(8) Uani 1 1 d . . . . .
C61 C 0.0436(3) 0.38465(14) 0.33380(12) 0.0589(9) Uani 1 1 d . . . . .
H61 H 0.0235 0.3483 0.3292 0.071 Uiso 1 1 calc R . . . .
C62 C -0.0530(4) 0.42265(16) 0.33138(14) 0.0677(10) Uani 1 1 d . . . . .
H62 H -0.1379 0.4124 0.3248 0.081 Uiso 1 1 calc R . . . .
C63 C -0.0210(4) 0.47656(16) 0.33887(13) 0.0642(10) Uani 1 1 d . . . . .
C64 C 0.1030(4) 0.49285(14) 0.34871(12) 0.0586(9) Uani 1 1 d . . . . .
H64 H 0.1221 0.5292 0.3542 0.070 Uiso 1 1 calc R . . . .
C65 C 0.2001(3) 0.45415(13) 0.35034(11) 0.0508(8) Uani 1 1 d . . . . .
H65 H 0.2851 0.4647 0.3564 0.061 Uiso 1 1 calc R . . . .
C66 C 0.2066(3) 0.21291(12) 0.48632(11) 0.0466(8) Uani 1 1 d . . . . .
C67 C 0.0825(4) 0.22841(15) 0.47335(13) 0.0638(10) Uani 1 1 d . . . . .
H67 H 0.0643 0.2461 0.4455 0.077 Uiso 1 1 calc R . . . .
C68 C -0.0143(4) 0.21770(17) 0.50159(15) 0.0734(11) Uani 1 1 d . . . . .
H68 H -0.0977 0.2286 0.4928 0.088 Uiso 1 1 calc R . . . .
C69 C 0.0107(4) 0.19132(18) 0.54214(14) 0.0741(12) Uani 1 1 d . . . . .
C70 C 0.1339(5) 0.17484(18) 0.55551(13) 0.0773(12) Uani 1 1 d . . . . .
H70 H 0.1510 0.1564 0.5831 0.093 Uiso 1 1 calc R . . . .
C71 C 0.2312(4) 0.18598(15) 0.52755(12) 0.0617(10) Uani 1 1 d . . . . .
H71 H 0.3146 0.1752 0.5365 0.074 Uiso 1 1 calc R . . . .
C72 C 0.3852(3) 0.33162(15) 0.17089(12) 0.0604(9) Uani 1 1 d . . . . .
H72 H 0.3128 0.3446 0.1540 0.073 Uiso 1 1 calc R . . . .
Cl1 Cl 0.65169(13) 0.08490(6) 0.19160(5) 0.1121(5) Uani 1 1 d . . . . .
Cl2 Cl -0.14313(12) 0.52495(5) 0.33560(5) 0.0991(4) Uani 1 1 d . . . . .
Cl3 Cl -0.11101(14) 0.17766(7) 0.57798(5) 0.1241(5) Uani 1 1 d . . . . .
F1 F -0.1014(2) 0.13977(10) 0.12338(9) 0.0975(8) Uani 1 1 d . . . . .
F2 F 0.7268(2) 0.33011(13) 0.16546(10) 0.1090(9) Uani 1 1 d . . . . .
F3 F -0.0016(3) 0.51481(11) 0.19970(13) 0.1415(13) Uani 1 1 d . . . . .
F4 F -0.2049(3) 0.00584(15) 0.43170(14) 0.1561(14) Uani 1 1 d . . . . .
F5 F 0.4995(3) -0.04445(13) 0.26097(10) 0.1258(11) Uani 1 1 d . . . . .
F6 F 0.6435(2) 0.08292(11) 0.57318(8) 0.0928(8) Uani 1 1 d . . . . .
F7 F -0.1698(2) 0.43304(12) 0.52060(11) 0.1188(10) Uani 1 1 d . . . . .
F8 F 0.6625(3) 0.28176(13) 0.62373(10) 0.1168(10) Uani 1 1 d . . . . .
F9 F 0.5983(2) 0.55570(9) 0.39678(8) 0.0868(7) Uani 1 1 d . . . . .
P1 P 0.21586(8) 0.29658(3) 0.23589(3) 0.04168(19) Uani 1 1 d . . . . .
P2 P 0.33489(8) 0.36175(3) 0.46354(3) 0.04096(19) Uani 1 1 d . . . . .
P3 P 0.30295(8) 0.09960(3) 0.40224(3) 0.04291(19) Uani 1 1 d . . . . .
Pd1 Pd 0.28503(2) 0.18829(2) 0.38081(2) 0.03902(7) Uani 1 1 d . . . . .
Pd2 Pd 0.24410(2) 0.27182(2) 0.31178(2) 0.03808(7) Uani 1 1 d . . . . .
Pd3 Pd 0.30669(2) 0.29915(2) 0.40646(2) 0.03834(7) Uani 1 1 d . . . . .
S1 S 0.21673(8) 0.18035(3) 0.30515(3) 0.04388(19) Uani 1 1 d . . . . .
S2 S 0.30075(8) 0.35367(3) 0.34333(3) 0.04332(19) Uani 1 1 d . . . . .
S3 S 0.33760(8) 0.22475(3) 0.45171(3) 0.04542(19) Uani 1 1 d . . . . .
S4 S 0.7040(2) 0.25176(11) 0.39393(8) 0.0929(10) Uani 0.658(5) 1 d . . P A 1
C73 C 0.8146(3) 0.25124(19) 0.34707(12) 0.183(9) Uani 0.658(5) 1 d G . P A 1
F10 F 0.7900(5) 0.2100(3) 0.31793(18) 0.214(5) Uani 0.658(5) 1 d G . P A 1
F11 F 0.9371(3) 0.2465(3) 0.3633(2) 0.159(4) Uani 0.658(5) 1 d G . P A 1
F12 F 0.8057(6) 0.2968(3) 0.32214(16) 0.233(5) Uani 0.658(5) 1 d G . P A 1
O1 O 0.5800(2) 0.2571(2) 0.36900(15) 0.179(5) Uani 0.658(5) 1 d G . P A 1
O2 O 0.7293(4) 0.19990(16) 0.41580(18) 0.199(4) Uani 0.658(5) 1 d G . P A 1
O3 O 0.7472(5) 0.29855(18) 0.42059(16) 0.169(5) Uani 0.658(5) 1 d G . P A 1
S5 S 0.8146(4) 0.2310(3) 0.35308(17) 0.109(2) Uani 0.342(5) 1 d . . P A 2
C74 C 0.7032(7) 0.2802(3) 0.3769(3) 0.083(5) Uani 0.342(5) 1 d G . P A 2
F13 F 0.7329(12) 0.3313(2) 0.3668(6) 0.247(9) Uani 0.342(5) 1 d G . P A 2
F14 F 0.7049(13) 0.2769(6) 0.4228(3) 0.250(11) Uani 0.342(5) 1 d G . P A 2
F15 F 0.5818(6) 0.2720(5) 0.3605(5) 0.213(11) Uani 0.342(5) 1 d G . P A 2
O4 O 0.9371(5) 0.2471(5) 0.3751(4) 0.260(19) Uani 0.342(5) 1 d G . P A 2
O5 O 0.7654(10) 0.1797(2) 0.3680(4) 0.204(9) Uani 0.342(5) 1 d G . P A 2
O6 O 0.7972(11) 0.2415(5) 0.30424(17) 0.185(12) Uani 0.342(5) 1 d G . 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
C1 C2 1.387(4) . ?
C1 C6 1.378(4) . ?
C1 P1 1.823(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.391(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.359(6) . ?
C4 C5 1.360(5) . ?
C4 F1 1.353(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.386(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.376(5) . ?
C7 C72 1.398(4) . ?
C7 P1 1.820(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.390(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.347(6) . ?
C10 C11 1.359(6) . ?
C10 F2 1.358(4) . ?
C11 H11 0.9300 . ?
C11 C72 1.383(5) . ?
C12 C13 1.387(5) . ?
C12 C17 1.375(5) . ?
C12 P1 1.828(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.376(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.348(5) . ?
C15 C16 1.353(6) . ?
C15 F3 1.356(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.389(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.373(5) . ?
C18 C23 1.387(5) . ?
C18 P3 1.819(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.390(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.353(6) . ?
C21 C22 1.357(6) . ?
C21 F4 1.362(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.377(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.379(5) . ?
C24 C29 1.366(5) . ?
C24 P3 1.826(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.399(5) . ?
C26 H26 0.9300 . ?
C26 C27 1.344(6) . ?
C27 C28 1.357(6) . ?
C27 F5 1.357(4) . ?
C28 H28 0.9300 . ?
C28 C29 1.392(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.387(4) . ?
C30 C35 1.388(5) . ?
C30 P3 1.814(3) . ?
C31 H31 0.9300 . ?
C31 C32 1.388(5) . ?
C32 H32 0.9300 . ?
C32 C33 1.340(5) . ?
C33 C34 1.385(5) . ?
C33 F6 1.365(4) . ?
C34 H34 0.9300 . ?
C34 C35 1.383(5) . ?
C35 H35 0.9300 . ?
C36 C37 1.387(5) . ?
C36 C41 1.394(5) . ?
C36 P2 1.812(3) . ?
C37 H37 0.9300 . ?
C37 C38 1.387(5) . ?
C38 H38 0.9300 . ?
C38 C39 1.344(6) . ?
C39 C40 1.359(6) . ?
C39 F7 1.354(4) . ?
C40 H40 0.9300 . ?
C40 C41 1.390(5) . ?
C41 H41 0.9300 . ?
C42 C43 1.368(5) . ?
C42 C47 1.369(5) . ?
C42 P2 1.821(3) . ?
C43 H43 0.9300 . ?
C43 C44 1.380(5) . ?
C44 H44 0.9300 . ?
C44 C45 1.342(6) . ?
C45 C46 1.340(6) . ?
C45 F8 1.353(4) . ?
C46 H46 0.9300 . ?
C46 C47 1.382(5) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C48 C49 1.385(5) . ?
C48 C53 1.388(4) . ?
C49 H49 0.9300 . ?
C49 C50 1.368(5) . ?
C50 C51 1.338(5) . ?
C50 F9 1.373(4) . ?
C51 H51 0.9300 . ?
C51 C52 1.389(5) . ?
C52 H52 0.9300 . ?
C52 C53 1.380(4) . ?
C53 P2 1.818(3) . ?
C54 C55 1.378(5) . ?
C54 C59 1.383(4) . ?
C54 S1 1.782(3) . ?
C55 H55 0.9300 . ?
C55 C56 1.375(5) . ?
C56 H56 0.9300 . ?
C56 C57 1.375(5) . ?
C57 C58 1.372(5) . ?
C57 Cl1 1.749(4) . ?
C58 H58 0.9300 . ?
C58 C59 1.386(5) . ?
C59 H59 0.9300 . ?
C60 C61 1.386(5) . ?
C60 C65 1.387(4) . ?
C60 S2 1.776(3) . ?
C61 H61 0.9300 . ?
C61 C62 1.376(5) . ?
C62 H62 0.9300 . ?
C62 C63 1.385(5) . ?
C63 C64 1.367(5) . ?
C63 Cl2 1.745(4) . ?
C64 H64 0.9300 . ?
C64 C65 1.392(4) . ?
C65 H65 0.9300 . ?
C66 C67 1.379(5) . ?
C66 C71 1.381(5) . ?
C66 S3 1.782(3) . ?
C67 H67 0.9300 . ?
C67 C68 1.375(5) . ?
C68 H68 0.9300 . ?
C68 C69 1.358(6) . ?
C69 C70 1.379(6) . ?
C69 Cl3 1.736(4) . ?
C70 H70 0.9300 . ?
C70 C71 1.376(5) . ?
C71 H71 0.9300 . ?
C72 H72 0.9300 . ?
P1 Pd2 2.2926(8) . ?
P2 Pd3 2.2736(8) . ?
P3 Pd1 2.2804(8) . ?
Pd1 Pd2 2.8905(3) . ?
Pd1 Pd3 2.8411(3) . ?
Pd1 S1 2.2761(8) . ?
Pd1 S3 2.2836(8) . ?
Pd2 Pd3 2.8693(3) . ?
Pd2 S1 2.2822(8) . ?
Pd2 S2 2.2797(8) . ?
Pd3 S2 2.2764(8) . ?
Pd3 S3 2.2700(8) . ?
S4 C73 1.8515 . ?
S4 O1 1.4450 . ?
S4 O2 1.4457 . ?
S4 O3 1.4457 . ?
C73 F10 1.3386 . ?
C73 F11 1.3382 . ?
C73 F12 1.3381 . ?
S5 C74 1.8512 . ?
S5 O4 1.4452 . ?
S5 O5 1.4450 . ?
S5 O6 1.4450 . ?
C74 F13 1.3386 . ?
C74 F14 1.3387 . ?
C74 F15 1.3384 . ?

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
C2 C1 P1 123.2(3) . . ?
C6 C1 C2 118.0(3) . . ?
C6 C1 P1 118.8(2) . . ?
C1 C2 H2 119.4 . . ?
C1 C2 C3 121.2(4) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 H3 120.8 . . ?
C4 C3 C2 118.3(4) . . ?
C4 C3 H3 120.8 . . ?
C3 C4 C5 122.6(4) . . ?
F1 C4 C3 118.5(4) . . ?
F1 C4 C5 118.9(4) . . ?
C4 C5 H5 120.7 . . ?
C4 C5 C6 118.5(4) . . ?
C6 C5 H5 120.7 . . ?
C1 C6 C5 121.5(3) . . ?
C1 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C8 C7 C72 118.4(3) . . ?
C8 C7 P1 119.6(2) . . ?
C72 C7 P1 121.9(3) . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.5(4) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 H9 120.5 . . ?
C10 C9 C8 119.0(4) . . ?
C10 C9 H9 120.5 . . ?
C9 C10 C11 123.1(4) . . ?
C9 C10 F2 118.9(4) . . ?
F2 C10 C11 118.0(4) . . ?
C10 C11 H11 121.0 . . ?
C10 C11 C72 117.9(4) . . ?
C72 C11 H11 121.0 . . ?
C13 C12 P1 117.7(2) . . ?
C17 C12 C13 118.6(3) . . ?
C17 C12 P1 123.7(3) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 C12 121.3(3) . . ?
C14 C13 H13 119.4 . . ?
C13 C14 H14 121.0 . . ?
C15 C14 C13 118.0(4) . . ?
C15 C14 H14 121.0 . . ?
C14 C15 C16 123.3(4) . . ?
C14 C15 F3 117.9(4) . . ?
C16 C15 F3 118.8(4) . . ?
C15 C16 H16 120.7 . . ?
C15 C16 C17 118.6(4) . . ?
C17 C16 H16 120.7 . . ?
C12 C17 C16 120.2(4) . . ?
C12 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C19 C18 C23 118.8(3) . . ?
C19 C18 P3 119.3(3) . . ?
C23 C18 P3 121.9(3) . . ?
C18 C19 H19 119.5 . . ?
C18 C19 C20 120.9(4) . . ?
C20 C19 H19 119.5 . . ?
C19 C20 H20 121.1 . . ?
C21 C20 C19 117.9(4) . . ?
C21 C20 H20 121.1 . . ?
C20 C21 C22 123.3(4) . . ?
C20 C21 F4 118.4(5) . . ?
C22 C21 F4 118.2(4) . . ?
C21 C22 H22 120.8 . . ?
C21 C22 C23 118.3(4) . . ?
C23 C22 H22 120.8 . . ?
C18 C23 H23 119.7 . . ?
C22 C23 C18 120.7(4) . . ?
C22 C23 H23 119.7 . . ?
C25 C24 P3 123.2(3) . . ?
C29 C24 C25 118.7(3) . . ?
C29 C24 P3 118.1(2) . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.9(4) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 120.5 . . ?
C27 C26 C25 119.1(4) . . ?
C27 C26 H26 120.5 . . ?
C26 C27 C28 123.0(4) . . ?
C26 C27 F5 119.6(4) . . ?
F5 C27 C28 117.4(4) . . ?
C27 C28 H28 121.3 . . ?
C27 C28 C29 117.3(4) . . ?
C29 C28 H28 121.3 . . ?
C24 C29 C28 122.0(3) . . ?
C24 C29 H29 119.0 . . ?
C28 C29 H29 119.0 . . ?
C31 C30 C35 118.0(3) . . ?
C31 C30 P3 123.4(3) . . ?
C35 C30 P3 118.4(2) . . ?
C30 C31 H31 119.4 . . ?
C30 C31 C32 121.1(4) . . ?
C32 C31 H31 119.4 . . ?
C31 C32 H32 120.7 . . ?
C33 C32 C31 118.6(4) . . ?
C33 C32 H32 120.7 . . ?
C32 C33 C34 123.3(4) . . ?
C32 C33 F6 119.3(4) . . ?
F6 C33 C34 117.4(4) . . ?
C33 C34 H34 121.4 . . ?
C35 C34 C33 117.3(4) . . ?
C35 C34 H34 121.4 . . ?
C30 C35 H35 119.2 . . ?
C34 C35 C30 121.7(3) . . ?
C34 C35 H35 119.2 . . ?
C37 C36 C41 118.2(3) . . ?
C37 C36 P2 118.2(2) . . ?
C41 C36 P2 123.5(3) . . ?
C36 C37 H37 119.5 . . ?
C36 C37 C38 121.0(3) . . ?
C38 C37 H37 119.5 . . ?
C37 C38 H38 120.6 . . ?
C39 C38 C37 118.7(4) . . ?
C39 C38 H38 120.6 . . ?
C38 C39 C40 123.0(4) . . ?
C38 C39 F7 119.4(4) . . ?
F7 C39 C40 117.6(4) . . ?
C39 C40 H40 120.7 . . ?
C39 C40 C41 118.6(4) . . ?
C41 C40 H40 120.7 . . ?
C36 C41 H41 119.8 . . ?
C40 C41 C36 120.4(4) . . ?
C40 C41 H41 119.8 . . ?
C43 C42 C47 116.6(3) . . ?
C43 C42 P2 123.2(3) . . ?
C47 C42 P2 120.1(3) . . ?
C42 C43 H43 119.0 . . ?
C42 C43 C44 122.0(4) . . ?
C44 C43 H43 119.0 . . ?
C43 C44 H44 120.6 . . ?
C45 C44 C43 118.8(4) . . ?
C45 C44 H44 120.6 . . ?
C44 C45 F8 119.0(4) . . ?
C46 C45 C44 121.8(4) . . ?
C46 C45 F8 119.1(4) . . ?
C45 C46 H46 120.6 . . ?
C45 C46 C47 118.7(4) . . ?
C47 C46 H46 120.6 . . ?
C42 C47 C46 122.0(4) . . ?
C42 C47 H47 119.0 . . ?
C46 C47 H47 119.0 . . ?
C49 C48 H48 119.5 . . ?
C49 C48 C53 121.1(3) . . ?
C53 C48 H48 119.5 . . ?
C48 C49 H49 121.3 . . ?
C50 C49 C48 117.5(4) . . ?
C50 C49 H49 121.3 . . ?
C49 C50 F9 117.4(4) . . ?
C51 C50 C49 124.0(3) . . ?
C51 C50 F9 118.6(4) . . ?
C50 C51 H51 121.0 . . ?
C50 C51 C52 117.9(3) . . ?
C52 C51 H51 121.0 . . ?
C51 C52 H52 119.4 . . ?
C53 C52 C51 121.3(3) . . ?
C53 C52 H52 119.4 . . ?
C48 C53 P2 118.3(2) . . ?
C52 C53 C48 118.2(3) . . ?
C52 C53 P2 123.5(3) . . ?
C55 C54 C59 119.6(3) . . ?
C55 C54 S1 123.1(2) . . ?
C59 C54 S1 117.4(3) . . ?
C54 C55 H55 119.7 . . ?
C56 C55 C54 120.6(3) . . ?
C56 C55 H55 119.7 . . ?
C55 C56 H56 120.5 . . ?
C57 C56 C55 119.0(4) . . ?
C57 C56 H56 120.5 . . ?
C56 C57 Cl1 119.0(3) . . ?
C58 C57 C56 121.7(3) . . ?
C58 C57 Cl1 119.3(3) . . ?
C57 C58 H58 120.6 . . ?
C57 C58 C59 118.7(4) . . ?
C59 C58 H58 120.6 . . ?
C54 C59 C58 120.4(3) . . ?
C54 C59 H59 119.8 . . ?
C58 C59 H59 119.8 . . ?
C61 C60 C65 119.5(3) . . ?
C61 C60 S2 123.3(3) . . ?
C65 C60 S2 117.2(3) . . ?
C60 C61 H61 119.6 . . ?
C62 C61 C60 120.8(3) . . ?
C62 C61 H61 119.6 . . ?
C61 C62 H62 120.7 . . ?
C61 C62 C63 118.6(4) . . ?
C63 C62 H62 120.7 . . ?
C62 C63 Cl2 118.8(3) . . ?
C64 C63 C62 122.0(3) . . ?
C64 C63 Cl2 119.2(3) . . ?
C63 C64 H64 120.6 . . ?
C63 C64 C65 118.9(3) . . ?
C65 C64 H64 120.6 . . ?
C60 C65 C64 120.2(3) . . ?
C60 C65 H65 119.9 . . ?
C64 C65 H65 119.9 . . ?
C67 C66 C71 119.0(3) . . ?
C67 C66 S3 123.0(3) . . ?
C71 C66 S3 118.0(3) . . ?
C66 C67 H67 120.0 . . ?
C68 C67 C66 120.1(4) . . ?
C68 C67 H67 120.0 . . ?
C67 C68 H68 119.7 . . ?
C69 C68 C67 120.6(4) . . ?
C69 C68 H68 119.7 . . ?
C68 C69 C70 120.3(4) . . ?
C68 C69 Cl3 120.9(4) . . ?
C70 C69 Cl3 118.8(3) . . ?
C69 C70 H70 120.4 . . ?
C71 C70 C69 119.3(4) . . ?
C71 C70 H70 120.4 . . ?
C66 C71 H71 119.6 . . ?
C70 C71 C66 120.8(4) . . ?
C70 C71 H71 119.6 . . ?
C7 C72 H72 119.4 . . ?
C11 C72 C7 121.1(3) . . ?
C11 C72 H72 119.4 . . ?
C1 P1 C12 104.31(15) . . ?
C1 P1 Pd2 114.54(11) . . ?
C7 P1 C1 108.00(15) . . ?
C7 P1 C12 101.65(14) . . ?
C7 P1 Pd2 109.83(11) . . ?
C12 P1 Pd2 117.42(10) . . ?
C36 P2 C42 107.03(15) . . ?
C36 P2 C53 106.35(15) . . ?
C36 P2 Pd3 111.31(11) . . ?
C42 P2 Pd3 114.62(10) . . ?
C53 P2 C42 104.29(14) . . ?
C53 P2 Pd3 112.64(10) . . ?
C18 P3 C24 103.52(15) . . ?
C18 P3 Pd1 112.02(11) . . ?
C24 P3 Pd1 116.53(10) . . ?
C30 P3 C18 107.25(15) . . ?
C30 P3 C24 104.53(15) . . ?
C30 P3 Pd1 112.15(10) . . ?
P3 Pd1 Pd2 151.69(2) . . ?
P3 Pd1 Pd3 148.11(2) . . ?
P3 Pd1 S3 96.94(3) . . ?
Pd3 Pd1 Pd2 60.075(8) . . ?
S1 Pd1 P3 101.32(3) . . ?
S1 Pd1 Pd2 50.74(2) . . ?
S1 Pd1 Pd3 110.56(2) . . ?
S1 Pd1 S3 161.48(3) . . ?
S3 Pd1 Pd2 111.24(2) . . ?
S3 Pd1 Pd3 51.18(2) . . ?
P1 Pd2 Pd1 149.72(2) . . ?
P1 Pd2 Pd3 150.37(2) . . ?
Pd3 Pd2 Pd1 59.109(8) . . ?
S1 Pd2 P1 100.10(3) . . ?
S1 Pd2 Pd1 50.55(2) . . ?
S1 Pd2 Pd3 109.42(2) . . ?
S2 Pd2 P1 99.46(3) . . ?
S2 Pd2 Pd1 109.29(2) . . ?
S2 Pd2 Pd3 50.91(2) . . ?
S2 Pd2 S1 159.72(3) . . ?
P2 Pd3 Pd1 148.27(2) . . ?
P2 Pd3 Pd2 150.65(2) . . ?
P2 Pd3 S2 100.61(3) . . ?
Pd1 Pd3 Pd2 60.816(8) . . ?
S2 Pd3 Pd1 111.08(2) . . ?
S2 Pd3 Pd2 51.02(2) . . ?
S3 Pd3 P2 96.85(3) . . ?
S3 Pd3 Pd1 51.61(2) . . ?
S3 Pd3 Pd2 112.41(2) . . ?
S3 Pd3 S2 160.37(3) . . ?
C54 S1 Pd1 109.48(11) . . ?
C54 S1 Pd2 106.55(10) . . ?
Pd1 S1 Pd2 78.71(3) . . ?
C60 S2 Pd2 113.00(11) . . ?
C60 S2 Pd3 111.15(10) . . ?
Pd3 S2 Pd2 78.07(3) . . ?
C66 S3 Pd1 107.64(11) . . ?
C66 S3 Pd3 112.25(11) . . ?
Pd3 S3 Pd1 77.21(3) . . ?
O1 S4 C73 102.4 . . ?
O1 S4 O2 115.6 . . ?
O1 S4 O3 115.5 . . ?
O2 S4 C73 102.4 . . ?
O3 S4 C73 102.4 . . ?
O3 S4 O2 115.5 . . ?
F10 C73 S4 111.8 . . ?
F11 C73 S4 111.9 . . ?
F11 C73 F10 107.0 . . ?
F12 C73 S4 111.9 . . ?
F12 C73 F10 107.0 . . ?
F12 C73 F11 107.0 . . ?
O4 S5 C74 102.4 . . ?
O5 S5 C74 102.4 . . ?
O5 S5 O4 115.5 . . ?
O5 S5 O6 115.5 . . ?
O6 S5 C74 102.4 . . ?
O6 S5 O4 115.5 . . ?
F13 C74 S5 111.9 . . ?
F13 C74 F14 106.9 . . ?
F14 C74 S5 111.9 . . ?
F15 C74 S5 111.9 . . ?
F15 C74 F13 107.0 . . ?
F15 C74 F14 107.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 0.0(6) . . . . ?
C2 C1 C6 C5 0.1(5) . . . . ?
C2 C1 P1 C7 -14.0(3) . . . . ?
C2 C1 P1 C12 93.5(3) . . . . ?
C2 C1 P1 Pd2 -136.8(3) . . . . ?
C2 C3 C4 C5 0.9(7) . . . . ?
C2 C3 C4 F1 -179.1(4) . . . . ?
C3 C4 C5 C6 -1.3(6) . . . . ?
C4 C5 C6 C1 0.8(6) . . . . ?
C6 C1 C2 C3 -0.5(6) . . . . ?
C6 C1 P1 C7 165.1(3) . . . . ?
C6 C1 P1 C12 -87.3(3) . . . . ?
C6 C1 P1 Pd2 42.4(3) . . . . ?
C7 C8 C9 C10 0.7(7) . . . . ?
C8 C7 C72 C11 0.0(6) . . . . ?
C8 C7 P1 C1 -113.5(3) . . . . ?
C8 C7 P1 C12 137.1(3) . . . . ?
C8 C7 P1 Pd2 12.0(3) . . . . ?
C8 C9 C10 C11 -0.5(7) . . . . ?
C8 C9 C10 F2 178.0(4) . . . . ?
C9 C10 C11 C72 0.1(7) . . . . ?
C10 C11 C72 C7 0.1(6) . . . . ?
C12 C13 C14 C15 -0.2(6) . . . . ?
C13 C12 C17 C16 -0.7(6) . . . . ?
C13 C12 P1 C1 -163.8(3) . . . . ?
C13 C12 P1 C7 -51.6(3) . . . . ?
C13 C12 P1 Pd2 68.2(3) . . . . ?
C13 C14 C15 C16 -0.8(7) . . . . ?
C13 C14 C15 F3 -179.9(4) . . . . ?
C14 C15 C16 C17 1.0(8) . . . . ?
C15 C16 C17 C12 -0.2(7) . . . . ?
C17 C12 C13 C14 0.9(5) . . . . ?
C17 C12 P1 C1 16.6(3) . . . . ?
C17 C12 P1 C7 128.8(3) . . . . ?
C17 C12 P1 Pd2 -111.4(3) . . . . ?
C18 C19 C20 C21 0.8(8) . . . . ?
C19 C18 C23 C22 -1.4(6) . . . . ?
C19 C18 P3 C24 -133.8(3) . . . . ?
C19 C18 P3 C30 116.0(3) . . . . ?
C19 C18 P3 Pd1 -7.5(3) . . . . ?
C19 C20 C21 C22 -1.2(9) . . . . ?
C19 C20 C21 F4 -179.2(5) . . . . ?
C20 C21 C22 C23 0.2(9) . . . . ?
C21 C22 C23 C18 1.1(7) . . . . ?
C23 C18 C19 C20 0.4(6) . . . . ?
C23 C18 P3 C24 44.0(4) . . . . ?
C23 C18 P3 C30 -66.2(3) . . . . ?
C23 C18 P3 Pd1 170.3(3) . . . . ?
C24 C25 C26 C27 0.1(6) . . . . ?
C25 C24 C29 C28 1.0(5) . . . . ?
C25 C24 P3 C18 -133.1(3) . . . . ?
C25 C24 P3 C30 -21.0(3) . . . . ?
C25 C24 P3 Pd1 103.4(3) . . . . ?
C25 C26 C27 C28 1.2(7) . . . . ?
C25 C26 C27 F5 178.8(4) . . . . ?
C26 C27 C28 C29 -1.3(7) . . . . ?
C27 C28 C29 C24 0.2(6) . . . . ?
C29 C24 C25 C26 -1.1(5) . . . . ?
C29 C24 P3 C18 50.4(3) . . . . ?
C29 C24 P3 C30 162.6(3) . . . . ?
C29 C24 P3 Pd1 -73.0(3) . . . . ?
C30 C31 C32 C33 0.1(6) . . . . ?
C31 C30 C35 C34 2.5(5) . . . . ?
C31 C30 P3 C18 2.4(3) . . . . ?
C31 C30 P3 C24 -107.1(3) . . . . ?
C31 C30 P3 Pd1 125.8(3) . . . . ?
C31 C32 C33 C34 0.4(6) . . . . ?
C31 C32 C33 F6 179.2(3) . . . . ?
C32 C33 C34 C35 0.5(6) . . . . ?
C33 C34 C35 C30 -1.9(5) . . . . ?
C35 C30 C31 C32 -1.5(5) . . . . ?
C35 C30 P3 C18 -172.3(3) . . . . ?
C35 C30 P3 C24 78.3(3) . . . . ?
C35 C30 P3 Pd1 -48.9(3) . . . . ?
C36 C37 C38 C39 0.6(6) . . . . ?
C37 C36 C41 C40 0.5(5) . . . . ?
C37 C36 P2 C42 -139.1(3) . . . . ?
C37 C36 P2 C53 109.9(3) . . . . ?
C37 C36 P2 Pd3 -13.1(3) . . . . ?
C37 C38 C39 C40 -0.8(7) . . . . ?
C37 C38 C39 F7 -179.2(4) . . . . ?
C38 C39 C40 C41 0.9(7) . . . . ?
C39 C40 C41 C36 -0.7(6) . . . . ?
C41 C36 C37 C38 -0.4(5) . . . . ?
C41 C36 P2 C42 43.2(3) . . . . ?
C41 C36 P2 C53 -67.8(3) . . . . ?
C41 C36 P2 Pd3 169.2(3) . . . . ?
C42 C43 C44 C45 -0.3(7) . . . . ?
C43 C42 C47 C46 0.8(6) . . . . ?
C43 C42 P2 C36 24.9(3) . . . . ?
C43 C42 P2 C53 137.4(3) . . . . ?
C43 C42 P2 Pd3 -99.0(3) . . . . ?
C43 C44 C45 C46 -0.6(8) . . . . ?
C43 C44 C45 F8 179.7(4) . . . . ?
C44 C45 C46 C47 1.6(8) . . . . ?
C45 C46 C47 C42 -1.7(8) . . . . ?
C47 C42 C43 C44 0.2(6) . . . . ?
C47 C42 P2 C36 -158.3(3) . . . . ?
C47 C42 P2 C53 -45.9(3) . . . . ?
C47 C42 P2 Pd3 77.8(3) . . . . ?
C48 C49 C50 C51 0.0(6) . . . . ?
C48 C49 C50 F9 -179.3(3) . . . . ?
C48 C53 P2 C36 -165.2(3) . . . . ?
C48 C53 P2 C42 81.8(3) . . . . ?
C48 C53 P2 Pd3 -43.0(3) . . . . ?
C49 C48 C53 C52 1.5(5) . . . . ?
C49 C48 C53 P2 178.2(3) . . . . ?
C49 C50 C51 C52 1.2(6) . . . . ?
C50 C51 C52 C53 -1.1(5) . . . . ?
C51 C52 C53 C48 -0.2(5) . . . . ?
C51 C52 C53 P2 -176.8(3) . . . . ?
C52 C53 P2 C36 11.4(3) . . . . ?
C52 C53 P2 C42 -101.6(3) . . . . ?
C52 C53 P2 Pd3 133.6(3) . . . . ?
C53 C48 C49 C50 -1.4(5) . . . . ?
C54 C55 C56 C57 0.8(6) . . . . ?
C55 C54 C59 C58 0.4(5) . . . . ?
C55 C54 S1 Pd1 -15.2(3) . . . . ?
C55 C54 S1 Pd2 68.4(3) . . . . ?
C55 C56 C57 C58 0.7(6) . . . . ?
C55 C56 C57 Cl1 -179.0(3) . . . . ?
C56 C57 C58 C59 -1.6(6) . . . . ?
C57 C58 C59 C54 1.1(6) . . . . ?
C59 C54 C55 C56 -1.4(5) . . . . ?
C59 C54 S1 Pd1 163.3(2) . . . . ?
C59 C54 S1 Pd2 -113.1(2) . . . . ?
C60 C61 C62 C63 -0.8(6) . . . . ?
C61 C60 C65 C64 0.2(5) . . . . ?
C61 C60 S2 Pd2 13.0(3) . . . . ?
C61 C60 S2 Pd3 -72.6(3) . . . . ?
C61 C62 C63 C64 -0.3(6) . . . . ?
C61 C62 C63 Cl2 179.7(3) . . . . ?
C62 C63 C64 C65 1.3(6) . . . . ?
C63 C64 C65 C60 -1.3(5) . . . . ?
C65 C60 C61 C62 0.8(5) . . . . ?
C65 C60 S2 Pd2 -164.1(2) . . . . ?
C65 C60 S2 Pd3 110.3(2) . . . . ?
C66 C67 C68 C69 -0.8(6) . . . . ?
C67 C66 C71 C70 -0.3(6) . . . . ?
C67 C66 S3 Pd1 -54.5(3) . . . . ?
C67 C66 S3 Pd3 28.5(3) . . . . ?
C67 C68 C69 C70 -0.1(7) . . . . ?
C67 C68 C69 Cl3 180.0(3) . . . . ?
C68 C69 C70 C71 0.7(7) . . . . ?
C69 C70 C71 C66 -0.6(6) . . . . ?
C71 C66 C67 C68 0.9(5) . . . . ?
C71 C66 S3 Pd1 124.2(3) . . . . ?
C71 C66 S3 Pd3 -152.8(2) . . . . ?
C72 C7 C8 C9 -0.4(6) . . . . ?
C72 C7 P1 C1 71.5(3) . . . . ?
C72 C7 P1 C12 -38.0(3) . . . . ?
C72 C7 P1 Pd2 -163.0(3) . . . . ?
Cl1 C57 C58 C59 178.1(3) . . . . ?
Cl2 C63 C64 C65 -178.7(3) . . . . ?
Cl3 C69 C70 C71 -179.3(3) . . . . ?
F1 C4 C5 C6 178.7(4) . . . . ?
F2 C10 C11 C72 -178.4(4) . . . . ?
F3 C15 C16 C17 -180.0(4) . . . . ?
F4 C21 C22 C23 178.2(5) . . . . ?
F5 C27 C28 C29 -179.0(4) . . . . ?
F6 C33 C34 C35 -178.3(3) . . . . ?
F7 C39 C40 C41 179.3(4) . . . . ?
F8 C45 C46 C47 -178.7(4) . . . . ?
F9 C50 C51 C52 -179.5(3) . . . . ?
P1 C1 C2 C3 178.7(3) . . . . ?
P1 C1 C6 C5 -179.2(3) . . . . ?
P1 C7 C8 C9 -175.6(3) . . . . ?
P1 C7 C72 C11 175.1(3) . . . . ?
P1 C12 C13 C14 -178.7(3) . . . . ?
P1 C12 C17 C16 178.9(3) . . . . ?
P2 C36 C37 C38 -178.3(3) . . . . ?
P2 C36 C41 C40 178.2(3) . . . . ?
P2 C42 C43 C44 177.1(3) . . . . ?
P2 C42 C47 C46 -176.2(4) . . . . ?
P3 C18 C19 C20 178.3(4) . . . . ?
P3 C18 C23 C22 -179.2(3) . . . . ?
P3 C24 C25 C26 -177.5(3) . . . . ?
P3 C24 C29 C28 177.6(3) . . . . ?
P3 C30 C31 C32 -176.2(3) . . . . ?
P3 C30 C35 C34 177.4(3) . . . . ?
S1 C54 C55 C56 177.1(3) . . . . ?
S1 C54 C59 C58 -178.1(3) . . . . ?
S2 C60 C61 C62 -176.3(3) . . . . ?
S2 C60 C65 C64 177.5(3) . . . . ?
S3 C66 C67 C68 179.6(3) . . . . ?
S3 C66 C71 C70 -179.0(3) . . . . ?
O1 S4 C73 F10 -60.0 . . . . ?
O1 S4 C73 F11 180.0 . . . . ?
O1 S4 C73 F12 60.0 . . . . ?
O2 S4 C73 F10 60.0 . . . . ?
O2 S4 C73 F11 -60.0 . . . . ?
O2 S4 C73 F12 180.0 . . . . ?
O3 S4 C73 F10 180.0 . . . . ?
O3 S4 C73 F11 60.0 . . . . ?
O3 S4 C73 F12 -60.0 . . . . ?
O4 S5 C74 F13 60.0 . . . . ?
O4 S5 C74 F14 -60.0 . . . . ?
O4 S5 C74 F15 -180.0 . . . . ?
O5 S5 C74 F13 180.0 . . . . ?
O5 S5 C74 F14 60.0 . . . . ?
O5 S5 C74 F15 -60.0 . . . . ?
O6 S5 C74 F13 -60.0 . . . . ?
O6 S5 C74 F14 -180.0 . . . . ?
O6 S5 C74 F15 60.0 . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.243
_oxdiff_exptl_absorpt_empirical_full_min 0.779
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelxl
_database_code_depnum_ccdc_archive 'CCDC 1410441'
_audit_update_record             
;
2015-07-24 deposited with the CCDC.
2017-08-29 downloaded from the CCDC.
;
_audit_creation_date             2015-07-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C80 H66 Ag Cl3 F9 O3 P3 Pd3 S3, 2(C4 H8 O), 2(F6 Sb)'
_chemical_formula_sum            'C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2'
_chemical_formula_weight         2584.54
_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 0.0181 0.0091 '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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   21.8782(4)
_cell_length_b                   22.7145(4)
_cell_length_c                   39.349(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     19554.8(15)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    10155
_cell_measurement_temperature    200
_cell_measurement_theta_max      71.9
_cell_measurement_theta_min      3.0
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    12.846
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.398
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   'FS_ABSCOR (Rigaku, 2009)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             10160
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0911
_diffrn_reflns_av_unetI/netI     0.0840
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            81861
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.687
_diffrn_reflns_theta_max         72.367
_diffrn_reflns_theta_min         2.246
_diffrn_ambient_temperature      200
_diffrn_detector                 RX
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details      
;
scan:
	Number of images: 34
	           Slice: 20.0000 - 192.0000
	     Image width: 5.0000
	        Exp time: 300.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 54.0000
	             Phi: 180.0000
	             XTD: 127.4000
	          2theta: 0.0000
scan:
	Number of images: 18
	           Slice: 42.0000 - 132.0000
	     Image width: 5.0000
	        Exp time: 300.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 54.0000
	             Phi: 0.0000
	             XTD: 127.4000
	          2theta: 0.0000
scan:
	Number of images: 12
	           Slice: 95.0000 - 155.0000
	     Image width: 5.0000
	        Exp time: 300.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 54.0000
	             Phi: 270.0000
	             XTD: 127.4000
	          2theta: 0.0000
;
_diffrn_measurement_device       
;
Crystal Goniometer
;
_diffrn_measurement_device_type  
;
Rigaku RAXIS conversion
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support Fiber
_diffrn_orient_matrix_type       FS_PROCESS
_diffrn_orient_matrix_UB_11      -0.014452
_diffrn_orient_matrix_UB_12      -0.038348
_diffrn_orient_matrix_UB_13      -0.009553
_diffrn_orient_matrix_UB_21      0.020257
_diffrn_orient_matrix_UB_22      0.009452
_diffrn_orient_matrix_UB_23      -0.022118
_diffrn_orient_matrix_UB_31      0.038340
_diffrn_orient_matrix_UB_32      -0.019449
_diffrn_orient_matrix_UB_33      0.008085
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13661
_reflns_number_total             18613
_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       
;
CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
;
_computing_data_collection       
;
CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.294
_refine_diff_density_min         -2.024
_refine_diff_density_rms         0.165
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1163
_refine_ls_number_reflns         18613
_refine_ls_number_restraints     1140
_refine_ls_R_factor_all          0.0876
_refine_ls_R_factor_gt           0.0665
_refine_ls_restrained_S_all      1.166
_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)+(0.0660P)²+84.1742P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1604
_refine_ls_wR_factor_ref         0.1920
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Rotating group:
 O1(H1A,H1B)
3.b Secondary CH2 refined with riding coordinates:
 C55(H55A,H55B), C56(H56A,H56B), C57(H57A,H57B), C58(H58A,H58B), C59(H59A,
 H59B), C60(H60A,H60B), C61(H61A,H61B), C62(H62A,H62B), C63(H63A,H63B),
 C64(H64A,H64B), C65(H65A,H65B), C66(H66A,H66B), C67(H67A,H67B), C68(H68A,H68B),
  C69(H69A,H69B), C70(H70A,H70B)
3.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C11(H11), C12(H12), C14(H14),
 C15(H15), C17(H17), C18(H18), C20(H20), C21(H21), C23(H23), C24(H24), C26(H26),
  C27(H27), C29(H29), C30(H30), C32(H32), C33(H33), C35(H35), C36(H36),
 C38(H38), C39(H39), C41(H41), C42(H42), C44(H44), C45(H45), C46(H46), C47(H47),
  C49(H49), C50(H50), C53(H53), C54(H54), C72(H72), C73(H73), C75(H75),
 C76(H76), C78(H78), C79(H79), C81(H81), C82(H82), C84(H84), C85(H85), C87(H87),
  C88(H88)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8493(4) 0.3519(3) 0.04552(19) 0.0406(16) Uani 1 1 d . U . . .
C2 C 0.8200(4) 0.3576(4) 0.0768(2) 0.053(2) Uani 1 1 d . U . . .
H2 H 0.8406 0.3450 0.0968 0.063 Uiso 1 1 calc R . . . .
C3 C 0.7620(5) 0.3812(4) 0.0798(2) 0.063(3) Uani 1 1 d . U . . .
H3 H 0.7427 0.3850 0.1013 0.075 Uiso 1 1 calc R . . . .
C4 C 0.7334(5) 0.3987(5) 0.0508(3) 0.063(2) Uani 1 1 d . U . . .
C5 C 0.7590(5) 0.3946(5) 0.0197(3) 0.066(3) Uani 1 1 d . U . . .
H5 H 0.7374 0.4074 0.0001 0.079 Uiso 1 1 calc R . . . .
C6 C 0.8181(4) 0.3710(5) 0.0169(2) 0.060(3) Uani 1 1 d . U . . .
H6 H 0.8369 0.3681 -0.0048 0.072 Uiso 1 1 calc R . . . .
C7 C 0.9335(4) 0.2885(4) 0.00227(18) 0.0409(17) Uani 1 1 d . U . . .
C8 C 0.9180(5) 0.2295(4) -0.0028(2) 0.061(3) Uani 1 1 d . U . . .
H8 H 0.9038 0.2070 0.0160 0.073 Uiso 1 1 calc R . . . .
C9 C 0.9227(6) 0.2033(5) -0.0337(2) 0.078(3) Uani 1 1 d . U . . .
H9 H 0.9110 0.1634 -0.0366 0.094 Uiso 1 1 calc R . . . .
C10 C 0.9445(5) 0.2352(5) -0.0606(2) 0.068(3) Uani 1 1 d . U . . .
C11 C 0.9597(5) 0.2930(5) -0.0578(2) 0.069(3) Uani 1 1 d . U . . .
H11 H 0.9744 0.3145 -0.0768 0.083 Uiso 1 1 calc R . . . .
C12 C 0.9534(5) 0.3197(5) -0.0264(2) 0.058(2) Uani 1 1 d . U . . .
H12 H 0.9628 0.3603 -0.0242 0.069 Uiso 1 1 calc R . . . .
C13 C 0.9742(4) 0.3887(4) 0.03996(16) 0.0369(15) Uani 1 1 d . U . . .
C14 C 1.0344(4) 0.3831(4) 0.03093(19) 0.0470(19) Uani 1 1 d . U . . .
H14 H 1.0504 0.3452 0.0259 0.056 Uiso 1 1 calc R . . . .
C15 C 1.0720(5) 0.4315(4) 0.0290(2) 0.057(2) Uani 1 1 d . U . . .
H15 H 1.1138 0.4274 0.0228 0.069 Uiso 1 1 calc R . . . .
C16 C 1.0480(4) 0.4853(4) 0.0362(2) 0.053(2) Uani 1 1 d . U . . .
C17 C 0.9888(4) 0.4939(4) 0.0456(2) 0.0511(19) Uani 1 1 d . U . . .
H17 H 0.9739 0.5320 0.0509 0.061 Uiso 1 1 calc R . . . .
C18 C 0.9509(4) 0.4445(4) 0.04705(19) 0.0435(17) Uani 1 1 d . U . . .
H18 H 0.9090 0.4490 0.0529 0.052 Uiso 1 1 calc R . . . .
C19 C 1.1711(4) 0.2948(4) 0.1732(2) 0.0465(19) Uani 1 1 d . U . . .
C20 C 1.1836(5) 0.3006(4) 0.1386(2) 0.057(2) Uani 1 1 d . U . . .
H20 H 1.1513 0.2958 0.1228 0.069 Uiso 1 1 calc R . . . .
C21 C 1.2411(4) 0.3129(5) 0.1268(3) 0.066(3) Uani 1 1 d . U . . .
H21 H 1.2487 0.3170 0.1031 0.080 Uiso 1 1 calc R . . . .
C22 C 1.2873(5) 0.3194(5) 0.1500(3) 0.065(3) Uani 1 1 d . U . . .
C23 C 1.2779(5) 0.3116(5) 0.1836(3) 0.072(3) Uani 1 1 d . U . . .
H23 H 1.3114 0.3143 0.1990 0.087 Uiso 1 1 calc R . . . .
C24 C 1.2209(5) 0.3000(5) 0.1957(2) 0.070(3) Uani 1 1 d . U . . .
H24 H 1.2146 0.2953 0.2194 0.084 Uiso 1 1 calc R . . . .
C25 C 1.1050(4) 0.2432(4) 0.22750(19) 0.0446(18) Uani 1 1 d . U . . .
C26 C 1.0917(5) 0.2652(5) 0.2594(2) 0.064(3) Uani 1 1 d . U . . .
H26 H 1.0760 0.3041 0.2613 0.077 Uiso 1 1 calc R . . . .
C27 C 1.1004(5) 0.2328(5) 0.2884(2) 0.074(3) Uani 1 1 d . U . . .
H27 H 1.0902 0.2484 0.3101 0.089 Uiso 1 1 calc R . . . .
C28 C 1.1243(5) 0.1770(5) 0.2850(2) 0.068(3) Uani 1 1 d . U . . .
C29 C 1.1378(4) 0.1525(5) 0.2536(2) 0.062(2) Uani 1 1 d . U . . .
H29 H 1.1535 0.1136 0.2518 0.074 Uiso 1 1 calc R . . . .
C30 C 1.1278(4) 0.1865(4) 0.2250(2) 0.053(2) Uani 1 1 d . U . . .
H30 H 1.1368 0.1706 0.2032 0.063 Uiso 1 1 calc R . . . .
C31 C 1.0704(4) 0.3559(4) 0.20351(19) 0.0493(19) Uani 1 1 d . U . . .
C32 C 1.0107(5) 0.3684(5) 0.2078(3) 0.077(3) Uani 1 1 d . U . . .
H32 H 0.9813 0.3403 0.2005 0.092 Uiso 1 1 calc R . . . .
C33 C 0.9904(7) 0.4206(5) 0.2224(3) 0.087(3) Uani 1 1 d . U . . .
H33 H 0.9480 0.4267 0.2261 0.105 Uiso 1 1 calc R . . . .
C34 C 1.0293(9) 0.4610(7) 0.2308(5) 0.125(6) Uani 1 1 d . U . . .
C35 C 1.0904(10) 0.4486(8) 0.2281(7) 0.201(12) Uani 1 1 d . U . . .
H35 H 1.1191 0.4761 0.2368 0.241 Uiso 1 1 calc R . . . .
C36 C 1.1111(7) 0.3989(7) 0.2135(6) 0.164(9) Uani 1 1 d . U . . .
H36 H 1.1537 0.3933 0.2102 0.197 Uiso 1 1 calc R . . . .
C37 C 0.7951(4) 0.0767(4) 0.1270(2) 0.0427(17) Uani 1 1 d . U . . .
C38 C 0.7374(4) 0.0871(4) 0.1394(2) 0.052(2) Uani 1 1 d . U . . .
H38 H 0.7327 0.1015 0.1619 0.062 Uiso 1 1 calc R . . . .
C39 C 0.6850(4) 0.0768(5) 0.1194(2) 0.065(3) Uani 1 1 d . U . . .
H39 H 0.6451 0.0832 0.1281 0.078 Uiso 1 1 calc R . . . .
C40 C 0.6942(5) 0.0570(5) 0.0869(2) 0.062(2) Uani 1 1 d . U . . .
C41 C 0.7514(5) 0.0456(4) 0.0735(2) 0.056(2) Uani 1 1 d . U . . .
H41 H 0.7560 0.0308 0.0511 0.068 Uiso 1 1 calc R . . . .
C42 C 0.8008(4) 0.0564(4) 0.0935(2) 0.050(2) Uani 1 1 d . U . . .
H42 H 0.8406 0.0500 0.0844 0.059 Uiso 1 1 calc R . . . .
C43 C 0.8990(4) 0.0185(4) 0.1527(2) 0.0486(18) Uani 1 1 d . U . . .
C44 C 0.9619(5) 0.0130(5) 0.1546(3) 0.068(3) Uani 1 1 d . U . . .
H44 H 0.9867 0.0473 0.1542 0.082 Uiso 1 1 calc R . . . .
C45 C 0.9896(6) -0.0420(5) 0.1569(4) 0.087(4) Uani 1 1 d . U . . .
H45 H 1.0328 -0.0457 0.1570 0.104 Uiso 1 1 calc R . . . .
C46 C 0.8921(6) -0.0866(5) 0.1565(4) 0.111(5) Uani 1 1 d . U . . .
H46 H 0.8679 -0.1213 0.1569 0.134 Uiso 1 1 calc R . . . .
C47 C 0.8654(5) -0.0327(5) 0.1533(4) 0.089(4) Uani 1 1 d . U . . .
H47 H 0.8222 -0.0304 0.1514 0.107 Uiso 1 1 calc R . . . .
C48 C 0.8348(4) 0.1032(4) 0.19470(19) 0.0488(19) Uani 1 1 d . U . . .
C49 C 0.8163(5) 0.1581(5) 0.2037(2) 0.065(3) Uani 1 1 d . U . . .
H49 H 0.8191 0.1890 0.1874 0.078 Uiso 1 1 calc R . . . .
C50 C 0.7934(5) 0.1706(6) 0.2356(3) 0.081(3) Uani 1 1 d . U . . .
H50 H 0.7790 0.2088 0.2412 0.097 Uiso 1 1 calc R . . . .
C51 C 0.9537(6) -0.0897(5) 0.1591(4) 0.101(5) Uani 1 1 d . U . . .
C52 C 0.7924(6) 0.1275(8) 0.2580(3) 0.096(4) Uani 1 1 d . U . . .
C53 C 0.8296(7) 0.0584(7) 0.2179(3) 0.107(5) Uani 1 1 d . U . . .
H53 H 0.8413 0.0195 0.2119 0.129 Uiso 1 1 calc R . . . .
C54 C 0.8073(8) 0.0701(8) 0.2505(3) 0.128(5) Uani 1 1 d . U . . .
H54 H 0.8026 0.0396 0.2668 0.153 Uiso 1 1 calc R . . . .
C55 C 1.0549(6) 0.0284(5) 0.0717(4) 0.094(4) Uani 1 1 d . U . . .
H55A H 1.0654 0.0217 0.0959 0.113 Uiso 1 1 calc R . . . .
H55B H 1.0931 0.0371 0.0592 0.113 Uiso 1 1 calc R . . . .
C56 C 1.0251(7) -0.0246(6) 0.0574(4) 0.107(5) Uani 1 1 d . U . . .
H56A H 1.0460 -0.0373 0.0363 0.128 Uiso 1 1 calc R . . . .
H56B H 1.0260 -0.0574 0.0739 0.128 Uiso 1 1 calc R . . . .
C57 C 0.9614(6) -0.0065(6) 0.0501(4) 0.102(4) Uani 1 1 d . U . . .
H57A H 0.9338 -0.0179 0.0689 0.122 Uiso 1 1 calc R . . . .
H57B H 0.9465 -0.0245 0.0288 0.122 Uiso 1 1 calc R . . . .
C58 C 0.9656(5) 0.0593(5) 0.0469(3) 0.081(3) Uani 1 1 d . U . . .
H58A H 0.9746 0.0708 0.0232 0.097 Uiso 1 1 calc R . . . .
H58B H 0.9268 0.0782 0.0540 0.097 Uiso 1 1 calc R . . . .
C59 C 1.0831(7) 0.1744(7) 0.0150(3) 0.106(5) Uani 1 1 d . U . . .
H59A H 1.0394 0.1697 0.0093 0.127 Uiso 1 1 calc R . . . .
H59B H 1.1027 0.1351 0.0150 0.127 Uiso 1 1 calc R . . . .
C60 C 1.1132(6) 0.2134(6) -0.0094(3) 0.092(4) Uani 1 1 d . U . . .
H60A H 1.0843 0.2433 -0.0182 0.110 Uiso 1 1 calc R . . . .
H60B H 1.1300 0.1907 -0.0288 0.110 Uiso 1 1 calc R . . . .
C61 C 1.1634(6) 0.2418(6) 0.0106(3) 0.091(4) Uani 1 1 d . U . . .
H61A H 1.1694 0.2831 0.0035 0.109 Uiso 1 1 calc R . . . .
H61B H 1.2023 0.2201 0.0077 0.109 Uiso 1 1 calc R . . . .
C62 C 1.1416(5) 0.2386(5) 0.0473(2) 0.069(3) Uani 1 1 d . U . . .
H62A H 1.1740 0.2221 0.0621 0.083 Uiso 1 1 calc R . . . .
H62B H 1.1306 0.2783 0.0558 0.083 Uiso 1 1 calc R . . . .
C63 C 1.1304(9) 0.0248(8) 0.1914(4) 0.129(5) Uani 1 1 d . U . . .
H63A H 1.0917 0.0095 0.2011 0.154 Uiso 1 1 calc R . . . .
H63B H 1.1382 0.0645 0.2008 0.154 Uiso 1 1 calc R . . . .
C64 C 1.1744(8) -0.0086(7) 0.1413(4) 0.122(5) Uani 1 1 d . U . . .
H64A H 1.1953 0.0131 0.1228 0.147 Uiso 1 1 calc R . . . .
H64B H 1.1575 -0.0456 0.1319 0.147 Uiso 1 1 calc R . . . .
C65 C 1.2615(8) 0.1244(10) 0.0765(4) 0.157(8) Uani 1 1 d . U . . .
H65A H 1.2700 0.1523 0.0578 0.188 Uiso 1 1 calc R . . . .
H65B H 1.2328 0.0939 0.0682 0.188 Uiso 1 1 calc R . . . .
C66 C 1.1791(12) -0.0132(12) 0.1985(5) 0.201(10) Uani 1 1 d . U . . .
H66A H 1.1626 -0.0519 0.2056 0.241 Uiso 1 1 calc R . . . .
H66B H 1.2031 0.0029 0.2177 0.241 Uiso 1 1 calc R . . . .
C67 C 1.2181(9) -0.0213(8) 0.1703(5) 0.148(6) Uani 1 1 d . U . . .
H67A H 1.2341 -0.0621 0.1692 0.178 Uiso 1 1 calc R . . . .
H67B H 1.2527 0.0068 0.1706 0.178 Uiso 1 1 calc R . . . .
C68 C 1.2823(7) 0.1595(8) 0.1291(4) 0.139(7) Uani 1 1 d . U . . .
H68A H 1.2991 0.1999 0.1288 0.166 Uiso 1 1 calc R . . . .
H68B H 1.2647 0.1521 0.1519 0.166 Uiso 1 1 calc R . . . .
C69 C 1.3284(9) 0.1193(10) 0.1227(5) 0.172(9) Uani 1 1 d . U . . .
H69A H 1.3270 0.0865 0.1393 0.206 Uiso 1 1 calc R . . . .
H69B H 1.3689 0.1385 0.1241 0.206 Uiso 1 1 calc R . . . .
C70 C 1.3169(9) 0.0980(11) 0.0884(5) 0.191(10) Uani 1 1 d . U . . .
H70A H 1.3513 0.1088 0.0732 0.229 Uiso 1 1 calc R . . . .
H70B H 1.3129 0.0546 0.0884 0.229 Uiso 1 1 calc R . . . .
C71 C 0.8043(4) 0.2125(4) 0.09257(19) 0.0430(18) Uani 1 1 d . U . . .
C72 C 0.7851(4) 0.2402(4) 0.1221(2) 0.051(2) Uani 1 1 d . U . . .
H72 H 0.8148 0.2503 0.1387 0.061 Uiso 1 1 calc R . . . .
C73 C 0.7245(5) 0.2536(4) 0.1282(2) 0.057(2) Uani 1 1 d . U . . .
H73 H 0.7126 0.2729 0.1486 0.068 Uiso 1 1 calc R . . . .
C74 C 0.6822(5) 0.2387(5) 0.1044(2) 0.059(2) Uani 1 1 d . U . . .
C75 C 0.6995(4) 0.2111(4) 0.0743(2) 0.055(2) Uani 1 1 d . U . . .
H75 H 0.6695 0.2013 0.0578 0.066 Uiso 1 1 calc R . . . .
C76 C 0.7597(4) 0.1980(4) 0.0685(2) 0.0478(19) Uani 1 1 d . U . . .
H76 H 0.7713 0.1790 0.0479 0.057 Uiso 1 1 calc R . . . .
C77 C 1.0192(4) 0.3864(4) 0.11955(17) 0.0377(15) Uani 1 1 d . U . . .
C78 C 0.9629(4) 0.4060(4) 0.1310(2) 0.054(2) Uani 1 1 d . U . . .
H78 H 0.9303 0.3788 0.1335 0.065 Uiso 1 1 calc R . . . .
C79 C 0.9533(5) 0.4649(4) 0.1388(2) 0.059(2) Uani 1 1 d . U . . .
H79 H 0.9146 0.4777 0.1468 0.071 Uiso 1 1 calc R . . . .
C80 C 0.9999(5) 0.5042(4) 0.1349(2) 0.061(2) Uani 1 1 d . U . . .
C81 C 1.0564(5) 0.4866(5) 0.1242(3) 0.068(3) Uani 1 1 d . U . . .
H81 H 1.0887 0.5143 0.1221 0.082 Uiso 1 1 calc R . . . .
C82 C 1.0661(4) 0.4270(4) 0.1165(2) 0.052(2) Uani 1 1 d . U . . .
H82 H 1.1053 0.4144 0.1090 0.062 Uiso 1 1 calc R . . . .
C83 C 0.9667(4) 0.1824(4) 0.21864(18) 0.0406(17) Uani 1 1 d . U . . .
C84 C 0.9367(4) 0.2342(4) 0.2254(2) 0.052(2) Uani 1 1 d . U . . .
H84 H 0.9254 0.2601 0.2075 0.062 Uiso 1 1 calc R . . . .
C85 C 0.9233(4) 0.2480(4) 0.2591(2) 0.054(2) Uani 1 1 d . U . . .
H85 H 0.9047 0.2846 0.2644 0.065 Uiso 1 1 calc R . . . .
C86 C 0.9367(4) 0.2092(4) 0.2844(2) 0.055(2) Uani 1 1 d . U . . .
C87 C 0.9630(5) 0.1566(5) 0.2776(2) 0.062(3) Uani 1 1 d . U . . .
H87 H 0.9705 0.1294 0.2955 0.075 Uiso 1 1 calc R . . . .
C88 C 0.9791(4) 0.1423(4) 0.2443(2) 0.054(2) Uani 1 1 d . U . . .
H88 H 0.9982 0.1058 0.2392 0.065 Uiso 1 1 calc R . . . .
O1 O 1.1202(3) 0.1361(4) 0.1258(2) 0.082(2) Uani 1 1 d . U . . .
H1A H 1.1514 0.1325 0.1118 0.123 Uiso 1 1 d GR . . . .
H1B H 1.1144 0.1012 0.1352 0.123 Uiso 1 1 d GR . . . .
O2 O 1.0140(3) 0.0761(3) 0.06888(19) 0.076(2) Uani 1 1 d . U . . .
O3 O 1.0897(4) 0.2013(4) 0.04727(18) 0.095(3) Uani 1 1 d . U . . .
O4 O 1.2369(4) 0.1540(5) 0.1045(2) 0.109(3) Uani 1 1 d . U . . .
O5 O 1.1277(5) 0.0261(4) 0.1559(2) 0.101(3) Uani 1 1 d . U . . .
F1 F 0.6755(3) 0.4211(3) 0.05309(17) 0.0850(19) Uani 1 1 d . U . . .
F2 F 0.9518(4) 0.2089(4) -0.09099(15) 0.111(3) Uani 1 1 d . U . . .
F3 F 1.0854(3) 0.5334(3) 0.03472(16) 0.0788(18) Uani 1 1 d . U . . .
F4 F 1.3450(3) 0.3324(3) 0.13906(18) 0.097(2) Uani 1 1 d . U . . .
F5 F 1.1335(3) 0.1444(4) 0.31314(16) 0.106(2) Uani 1 1 d . U . . .
F6 F 1.0090(6) 0.5105(4) 0.2452(3) 0.202(6) Uani 1 1 d . U . . .
F7 F 0.6440(3) 0.0483(3) 0.06754(17) 0.097(2) Uani 1 1 d . U . . .
F8 F 0.9794(4) -0.1439(3) 0.1628(3) 0.149(4) Uani 1 1 d . U . . .
F9 F 0.7705(4) 0.1375(5) 0.29025(15) 0.142(3) Uani 1 1 d . U . . .
F10 F 0.8559(3) 0.3390(3) 0.18014(18) 0.099(2) Uani 1 1 d . U . . .
F11 F 0.7349(3) 0.4174(4) 0.22866(19) 0.113(2) Uani 1 1 d . U . . .
F12 F 0.8403(4) 0.3685(4) 0.24385(18) 0.120(3) Uani 1 1 d . U . . .
F13 F 0.8342(4) 0.4493(4) 0.1971(2) 0.133(3) Uani 1 1 d . U . . .
F14 F 0.7520(4) 0.3868(4) 0.16460(18) 0.125(3) Uani 1 1 d . U . . .
F15 F 0.7589(4) 0.3073(4) 0.2118(2) 0.134(3) Uani 1 1 d . U . . .
F16 F 0.8354(4) 0.0862(4) -0.0665(2) 0.131(3) Uani 1 1 d . U . . .
F17 F 0.7181(4) 0.0690(5) -0.0692(2) 0.162(4) Uani 1 1 d . U . . .
F18 F 0.7168(4) 0.0763(8) -0.0037(2) 0.236(5) Uani 1 1 d . U . . .
F19 F 0.8315(4) 0.0934(5) -0.0011(2) 0.135(3) Uani 1 1 d . U . . .
F20 F 0.7680(6) 0.1613(5) -0.0407(3) 0.181(4) Uani 1 1 d . U . . .
F21 F 0.7905(7) 0.0022(6) -0.0318(4) 0.221(5) Uani 1 1 d . U . . .
P1 P 0.92612(9) 0.32356(9) 0.04353(4) 0.0377(4) Uani 1 1 d . U . . .
P2 P 1.09428(10) 0.28460(10) 0.18846(5) 0.0407(5) Uani 1 1 d . U . . .
P3 P 0.86304(9) 0.09039(10) 0.15178(5) 0.0391(4) Uani 1 1 d . U . . .
S1 S 0.88001(9) 0.18985(9) 0.08450(4) 0.0402(4) Uani 1 1 d . U . . .
S2 S 1.03445(9) 0.31398(9) 0.10707(4) 0.0388(4) Uani 1 1 d . U . . .
S3 S 0.99612(9) 0.16393(8) 0.17777(4) 0.0373(4) Uani 1 1 d . U . . .
Cl1 Cl 0.60523(13) 0.25437(16) 0.11146(8) 0.0894(10) Uani 1 1 d . U . . .
Cl2 Cl 0.98733(17) 0.57887(13) 0.14238(9) 0.0958(10) Uani 1 1 d . U . . .
Cl3 Cl 0.92369(16) 0.22910(15) 0.32647(6) 0.0908(10) Uani 1 1 d . U . . .
Pd1 Pd 0.94995(3) 0.26431(3) 0.08939(2) 0.03573(15) Uani 1 1 d . U . . .
Pd2 Pd 1.02440(3) 0.24755(2) 0.15011(2) 0.03527(15) Uani 1 1 d . U . . .
Pd3 Pd 0.92568(3) 0.16663(2) 0.13484(2) 0.03411(14) Uani 1 1 d . U . . .
Ag2 Ag 1.03354(3) 0.16848(3) 0.09545(2) 0.04426(16) Uani 1 1 d . U . . .
Sb1 Sb 0.79505(3) 0.37872(3) 0.20449(2) 0.06072(19) Uani 1 1 d . U . . .
Sb2 Sb 0.77531(4) 0.07999(5) -0.03505(2) 0.0861(3) Uani 1 1 d . 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
C1 C2 1.396(11) . ?
C1 C6 1.387(11) . ?
C1 P1 1.801(8) . ?
C2 H2 0.9500 . ?
C2 C3 1.382(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.361(13) . ?
C4 C5 1.346(13) . ?
C4 F1 1.368(11) . ?
C5 H5 0.9500 . ?
C5 C6 1.405(13) . ?
C6 H6 0.9500 . ?
C7 C8 1.397(12) . ?
C7 C12 1.400(11) . ?
C7 P1 1.815(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.360(12) . ?
C9 H9 0.9500 . ?
C9 C10 1.368(14) . ?
C10 C11 1.360(14) . ?
C10 F2 1.345(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.383(12) . ?
C12 H12 0.9500 . ?
C13 C14 1.370(11) . ?
C13 C18 1.394(11) . ?
C13 P1 1.821(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.374(12) . ?
C15 H15 0.9500 . ?
C15 C16 1.361(13) . ?
C16 C17 1.360(13) . ?
C16 F3 1.365(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.396(12) . ?
C18 H18 0.9500 . ?
C19 C20 1.395(11) . ?
C19 C24 1.407(11) . ?
C19 P2 1.800(9) . ?
C20 H20 0.9500 . ?
C20 C21 1.369(13) . ?
C21 H21 0.9500 . ?
C21 C22 1.372(14) . ?
C22 C23 1.350(14) . ?
C22 F4 1.367(11) . ?
C23 H23 0.9500 . ?
C23 C24 1.362(13) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(11) . ?
C25 C30 1.385(12) . ?
C25 P2 1.817(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.369(12) . ?
C27 H27 0.9500 . ?
C27 C28 1.378(15) . ?
C28 C29 1.389(14) . ?
C28 F5 1.346(10) . ?
C29 H29 0.9500 . ?
C29 C30 1.383(11) . ?
C30 H30 0.9500 . ?
C31 C32 1.346(14) . ?
C31 C36 1.379(15) . ?
C31 P2 1.802(9) . ?
C32 H32 0.9500 . ?
C32 C33 1.391(14) . ?
C33 H33 0.9500 . ?
C33 C34 1.295(18) . ?
C34 C35 1.37(2) . ?
C34 F6 1.335(15) . ?
C35 H35 0.9500 . ?
C35 C36 1.346(19) . ?
C36 H36 0.9500 . ?
C37 C38 1.374(11) . ?
C37 C42 1.402(11) . ?
C37 P3 1.806(8) . ?
C38 H38 0.9500 . ?
C38 C39 1.409(11) . ?
C39 H39 0.9500 . ?
C39 C40 1.370(13) . ?
C40 C41 1.383(14) . ?
C40 F7 1.353(10) . ?
C41 H41 0.9500 . ?
C41 C42 1.359(11) . ?
C42 H42 0.9500 . ?
C43 C44 1.383(13) . ?
C43 C47 1.377(13) . ?
C43 P3 1.813(9) . ?
C44 H44 0.9500 . ?
C44 C45 1.391(13) . ?
C45 H45 0.9500 . ?
C45 C51 1.340(16) . ?
C46 H46 0.9500 . ?
C46 C47 1.361(15) . ?
C46 C51 1.353(17) . ?
C47 H47 0.9500 . ?
C48 C49 1.359(13) . ?
C48 C53 1.373(14) . ?
C48 P3 1.822(8) . ?
C49 H49 0.9500 . ?
C49 C50 1.383(12) . ?
C50 H50 0.9500 . ?
C50 C52 1.317(17) . ?
C51 F8 1.362(13) . ?
C52 C54 1.38(2) . ?
C52 F9 1.374(12) . ?
C53 H53 0.9500 . ?
C53 C54 1.396(16) . ?
C54 H54 0.9500 . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.481(16) . ?
C55 O2 1.410(12) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.481(17) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.505(16) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58 O2 1.419(12) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C59 C60 1.464(15) . ?
C59 O3 1.415(13) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C61 1.497(16) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C62 1.523(13) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C62 O3 1.416(12) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C66 1.40(2) . ?
C63 O5 1.398(15) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C67 1.52(2) . ?
C64 O5 1.414(17) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C70 1.43(2) . ?
C65 O4 1.398(15) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C67 1.41(2) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C68 C69 1.383(19) . ?
C68 O4 1.393(15) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 C70 1.46(2) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.385(11) . ?
C71 C76 1.401(11) . ?
C71 S1 1.763(9) . ?
C72 H72 0.9500 . ?
C72 C73 1.383(12) . ?
C73 H73 0.9500 . ?
C73 C74 1.359(13) . ?
C74 C75 1.393(13) . ?
C74 Cl1 1.743(11) . ?
C75 H75 0.9500 . ?
C75 C76 1.369(12) . ?
C76 H76 0.9500 . ?
C77 C78 1.385(11) . ?
C77 C82 1.387(11) . ?
C77 S2 1.748(8) . ?
C78 H78 0.9500 . ?
C78 C79 1.388(12) . ?
C79 H79 0.9500 . ?
C79 C80 1.364(14) . ?
C80 C81 1.363(15) . ?
C80 Cl2 1.744(11) . ?
C81 H81 0.9500 . ?
C81 C82 1.404(13) . ?
C82 H82 0.9500 . ?
C83 C84 1.375(11) . ?
C83 C88 1.385(11) . ?
C83 S3 1.783(8) . ?
C84 H84 0.9500 . ?
C84 C85 1.393(11) . ?
C85 H85 0.9500 . ?
C85 C86 1.363(12) . ?
C86 C87 1.353(13) . ?
C86 Cl3 1.738(9) . ?
C87 H87 0.9500 . ?
C87 C88 1.398(12) . ?
C88 H88 0.9500 . ?
O1 H1A 0.8816 . ?
O1 H1B 0.8834 . ?
O1 Ag2 2.358(7) . ?
O2 Ag2 2.383(7) . ?
O3 Ag2 2.379(7) . ?
F10 Sb1 1.871(7) . ?
F11 Sb1 1.847(7) . ?
F12 Sb1 1.852(7) . ?
F13 Sb1 1.840(8) . ?
F14 Sb1 1.839(7) . ?
F15 Sb1 1.828(8) . ?
F16 Sb2 1.812(8) . ?
F17 Sb2 1.852(8) . ?
F18 Sb2 1.780(10) . ?
F19 Sb2 1.841(8) . ?
F20 Sb2 1.866(12) . ?
F21 Sb2 1.802(14) . ?
P1 Pd1 2.3106(19) . ?
P2 Pd2 2.3072(19) . ?
P3 Pd3 2.307(2) . ?
S1 Pd1 2.289(2) . ?
S1 Pd3 2.2806(18) . ?
S2 Pd1 2.275(2) . ?
S2 Pd2 2.2788(19) . ?
S3 Pd2 2.2748(19) . ?
S3 Pd3 2.2874(18) . ?
Pd1 Pd2 2.9166(7) . ?
Pd1 Pd3 2.8990(8) . ?
Pd1 Ag2 2.8531(9) . ?
Pd2 Pd3 2.8990(8) . ?
Pd2 Ag2 2.8091(8) . ?
Pd3 Ag2 2.8236(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
C2 C1 P1 120.1(6) . . ?
C6 C1 C2 117.5(8) . . ?
C6 C1 P1 122.4(7) . . ?
C1 C2 H2 118.9 . . ?
C3 C2 C1 122.1(8) . . ?
C3 C2 H2 118.9 . . ?
C2 C3 H3 121.1 . . ?
C4 C3 C2 117.8(9) . . ?
C4 C3 H3 121.1 . . ?
C3 C4 F1 118.5(9) . . ?
C5 C4 C3 123.3(10) . . ?
C5 C4 F1 118.1(9) . . ?
C4 C5 H5 120.6 . . ?
C4 C5 C6 118.7(9) . . ?
C6 C5 H5 120.6 . . ?
C1 C6 C5 120.6(9) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C8 C7 C12 116.5(8) . . ?
C8 C7 P1 121.7(6) . . ?
C12 C7 P1 121.8(7) . . ?
C7 C8 H8 119.1 . . ?
C9 C8 C7 121.9(9) . . ?
C9 C8 H8 119.1 . . ?
C8 C9 H9 120.4 . . ?
C8 C9 C10 119.3(10) . . ?
C10 C9 H9 120.4 . . ?
C11 C10 C9 122.1(9) . . ?
F2 C10 C9 119.6(10) . . ?
F2 C10 C11 118.3(9) . . ?
C10 C11 H11 120.9 . . ?
C10 C11 C12 118.3(9) . . ?
C12 C11 H11 120.9 . . ?
C7 C12 H12 119.0 . . ?
C11 C12 C7 121.9(9) . . ?
C11 C12 H12 119.0 . . ?
C14 C13 C18 119.2(8) . . ?
C14 C13 P1 120.0(7) . . ?
C18 C13 P1 120.8(6) . . ?
C13 C14 H14 119.5 . . ?
C13 C14 C15 121.1(9) . . ?
C15 C14 H14 119.5 . . ?
C14 C15 H15 120.8 . . ?
C16 C15 C14 118.4(9) . . ?
C16 C15 H15 120.8 . . ?
C15 C16 F3 118.6(9) . . ?
C17 C16 C15 123.6(9) . . ?
C17 C16 F3 117.8(9) . . ?
C16 C17 H17 121.3 . . ?
C16 C17 C18 117.5(9) . . ?
C18 C17 H17 121.3 . . ?
C13 C18 C17 120.3(8) . . ?
C13 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C20 C19 C24 117.0(8) . . ?
C20 C19 P2 121.4(7) . . ?
C24 C19 P2 121.6(7) . . ?
C19 C20 H20 118.9 . . ?
C21 C20 C19 122.1(9) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 H21 120.9 . . ?
C20 C21 C22 118.1(9) . . ?
C22 C21 H21 120.9 . . ?
C23 C22 C21 121.9(10) . . ?
C23 C22 F4 118.5(9) . . ?
F4 C22 C21 119.6(9) . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.4(10) . . ?
C24 C23 H23 119.8 . . ?
C19 C24 H24 119.8 . . ?
C23 C24 C19 120.4(9) . . ?
C23 C24 H24 119.8 . . ?
C26 C25 C30 118.5(8) . . ?
C26 C25 P2 123.6(7) . . ?
C30 C25 P2 117.9(6) . . ?
C25 C26 H26 118.9 . . ?
C27 C26 C25 122.2(10) . . ?
C27 C26 H26 118.9 . . ?
C26 C27 H27 121.1 . . ?
C26 C27 C28 117.9(10) . . ?
C28 C27 H27 121.1 . . ?
C27 C28 C29 122.4(9) . . ?
F5 C28 C27 119.0(10) . . ?
F5 C28 C29 118.6(10) . . ?
C28 C29 H29 121.1 . . ?
C30 C29 C28 117.9(10) . . ?
C30 C29 H29 121.1 . . ?
C25 C30 H30 119.4 . . ?
C29 C30 C25 121.1(9) . . ?
C29 C30 H30 119.4 . . ?
C32 C31 C36 116.3(11) . . ?
C32 C31 P2 120.8(8) . . ?
C36 C31 P2 122.8(9) . . ?
C31 C32 H32 118.7 . . ?
C31 C32 C33 122.7(11) . . ?
C33 C32 H32 118.7 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0(14) . . ?
C34 C33 H33 120.0 . . ?
C33 C34 C35 118.4(15) . . ?
C33 C34 F6 119.0(16) . . ?
F6 C34 C35 122.1(15) . . ?
C34 C35 H35 118.9 . . ?
C36 C35 C34 122.3(16) . . ?
C36 C35 H35 118.9 . . ?
C31 C36 H36 120.0 . . ?
C35 C36 C31 119.9(16) . . ?
C35 C36 H36 120.0 . . ?
C38 C37 C42 118.3(8) . . ?
C38 C37 P3 122.3(6) . . ?
C42 C37 P3 119.4(7) . . ?
C37 C38 H38 119.3 . . ?
C37 C38 C39 121.3(8) . . ?
C39 C38 H38 119.3 . . ?
C38 C39 H39 121.4 . . ?
C40 C39 C38 117.1(9) . . ?
C40 C39 H39 121.4 . . ?
C39 C40 C41 123.4(9) . . ?
F7 C40 C39 117.0(9) . . ?
F7 C40 C41 119.5(9) . . ?
C40 C41 H41 121.1 . . ?
C42 C41 C40 117.7(8) . . ?
C42 C41 H41 121.1 . . ?
C37 C42 H42 118.9 . . ?
C41 C42 C37 122.1(9) . . ?
C41 C42 H42 118.9 . . ?
C44 C43 P3 121.0(7) . . ?
C47 C43 C44 117.0(9) . . ?
C47 C43 P3 121.9(8) . . ?
C43 C44 H44 119.4 . . ?
C43 C44 C45 121.2(10) . . ?
C45 C44 H44 119.4 . . ?
C44 C45 H45 120.8 . . ?
C51 C45 C44 118.3(11) . . ?
C51 C45 H45 120.8 . . ?
C47 C46 H46 120.6 . . ?
C51 C46 H46 120.6 . . ?
C51 C46 C47 118.8(12) . . ?
C43 C47 H47 119.0 . . ?
C46 C47 C43 122.1(11) . . ?
C46 C47 H47 119.0 . . ?
C49 C48 C53 118.9(9) . . ?
C49 C48 P3 119.2(7) . . ?
C53 C48 P3 121.8(9) . . ?
C48 C49 H49 118.9 . . ?
C48 C49 C50 122.1(10) . . ?
C50 C49 H49 118.9 . . ?
C49 C50 H50 121.2 . . ?
C52 C50 C49 117.6(13) . . ?
C52 C50 H50 121.2 . . ?
C45 C51 C46 122.5(12) . . ?
C45 C51 F8 119.6(12) . . ?
C46 C51 F8 117.9(11) . . ?
C50 C52 C54 123.7(12) . . ?
C50 C52 F9 120.1(14) . . ?
F9 C52 C54 116.0(13) . . ?
C48 C53 H53 120.0 . . ?
C48 C53 C54 119.9(14) . . ?
C54 C53 H53 120.0 . . ?
C52 C54 C53 117.5(13) . . ?
C52 C54 H54 121.3 . . ?
C53 C54 H54 121.3 . . ?
H55A C55 H55B 108.4 . . ?
C56 C55 H55A 110.0 . . ?
C56 C55 H55B 110.0 . . ?
O2 C55 H55A 110.0 . . ?
O2 C55 H55B 110.0 . . ?
O2 C55 C56 108.4(11) . . ?
C55 C56 H56A 110.7 . . ?
C55 C56 H56B 110.7 . . ?
H56A C56 H56B 108.8 . . ?
C57 C56 C55 105.2(11) . . ?
C57 C56 H56A 110.7 . . ?
C57 C56 H56B 110.7 . . ?
C56 C57 H57A 111.0 . . ?
C56 C57 H57B 111.0 . . ?
C56 C57 C58 103.6(11) . . ?
H57A C57 H57B 109.0 . . ?
C58 C57 H57A 111.0 . . ?
C58 C57 H57B 111.0 . . ?
C57 C58 H58A 110.7 . . ?
C57 C58 H58B 110.7 . . ?
H58A C58 H58B 108.8 . . ?
O2 C58 C57 105.1(10) . . ?
O2 C58 H58A 110.7 . . ?
O2 C58 H58B 110.7 . . ?
H59A C59 H59B 108.6 . . ?
C60 C59 H59A 110.4 . . ?
C60 C59 H59B 110.4 . . ?
O3 C59 H59A 110.4 . . ?
O3 C59 H59B 110.4 . . ?
O3 C59 C60 106.4(10) . . ?
C59 C60 H60A 110.9 . . ?
C59 C60 H60B 110.9 . . ?
C59 C60 C61 104.1(10) . . ?
H60A C60 H60B 109.0 . . ?
C61 C60 H60A 110.9 . . ?
C61 C60 H60B 110.9 . . ?
C60 C61 H61A 110.9 . . ?
C60 C61 H61B 110.9 . . ?
C60 C61 C62 104.4(9) . . ?
H61A C61 H61B 108.9 . . ?
C62 C61 H61A 110.9 . . ?
C62 C61 H61B 110.9 . . ?
C61 C62 H62A 110.5 . . ?
C61 C62 H62B 110.5 . . ?
H62A C62 H62B 108.7 . . ?
O3 C62 C61 106.1(9) . . ?
O3 C62 H62A 110.5 . . ?
O3 C62 H62B 110.5 . . ?
H63A C63 H63B 109.0 . . ?
C66 C63 H63A 111.0 . . ?
C66 C63 H63B 111.0 . . ?
O5 C63 H63A 111.0 . . ?
O5 C63 H63B 111.0 . . ?
O5 C63 C66 104.0(16) . . ?
H64A C64 H64B 108.9 . . ?
C67 C64 H64A 110.8 . . ?
C67 C64 H64B 110.8 . . ?
O5 C64 H64A 110.8 . . ?
O5 C64 H64B 110.8 . . ?
O5 C64 C67 104.7(14) . . ?
H65A C65 H65B 108.7 . . ?
C70 C65 H65A 110.6 . . ?
C70 C65 H65B 110.6 . . ?
O4 C65 H65A 110.6 . . ?
O4 C65 H65B 110.6 . . ?
O4 C65 C70 105.7(13) . . ?
C63 C66 H66A 109.1 . . ?
C63 C66 H66B 109.1 . . ?
C63 C66 C67 112.7(18) . . ?
H66A C66 H66B 107.8 . . ?
C67 C66 H66A 109.1 . . ?
C67 C66 H66B 109.1 . . ?
C64 C67 H67A 111.6 . . ?
C64 C67 H67B 111.6 . . ?
C66 C67 C64 100.7(17) . . ?
C66 C67 H67A 111.6 . . ?
C66 C67 H67B 111.6 . . ?
H67A C67 H67B 109.4 . . ?
H68A C68 H68B 108.2 . . ?
C69 C68 H68A 109.8 . . ?
C69 C68 H68B 109.8 . . ?
C69 C68 O4 109.6(13) . . ?
O4 C68 H68A 109.8 . . ?
O4 C68 H68B 109.8 . . ?
C68 C69 H69A 110.7 . . ?
C68 C69 H69B 110.7 . . ?
C68 C69 C70 105.2(15) . . ?
H69A C69 H69B 108.8 . . ?
C70 C69 H69A 110.7 . . ?
C70 C69 H69B 110.7 . . ?
C65 C70 C69 108.0(15) . . ?
C65 C70 H70A 110.1 . . ?
C65 C70 H70B 110.1 . . ?
C69 C70 H70A 110.1 . . ?
C69 C70 H70B 110.1 . . ?
H70A C70 H70B 108.4 . . ?
C72 C71 C76 117.6(8) . . ?
C72 C71 S1 124.6(7) . . ?
C76 C71 S1 117.6(6) . . ?
C71 C72 H72 118.8 . . ?
C73 C72 C71 122.5(8) . . ?
C73 C72 H72 118.8 . . ?
C72 C73 H73 120.7 . . ?
C74 C73 C72 118.6(9) . . ?
C74 C73 H73 120.7 . . ?
C73 C74 C75 120.8(9) . . ?
C73 C74 Cl1 119.8(8) . . ?
C75 C74 Cl1 119.4(8) . . ?
C74 C75 H75 119.9 . . ?
C76 C75 C74 120.2(9) . . ?
C76 C75 H75 119.9 . . ?
C71 C76 H76 119.8 . . ?
C75 C76 C71 120.4(8) . . ?
C75 C76 H76 119.8 . . ?
C78 C77 C82 118.2(8) . . ?
C78 C77 S2 124.4(7) . . ?
C82 C77 S2 117.4(7) . . ?
C77 C78 H78 119.4 . . ?
C77 C78 C79 121.2(9) . . ?
C79 C78 H78 119.4 . . ?
C78 C79 H79 120.3 . . ?
C80 C79 C78 119.5(10) . . ?
C80 C79 H79 120.3 . . ?
C79 C80 Cl2 119.9(9) . . ?
C81 C80 C79 121.4(10) . . ?
C81 C80 Cl2 118.7(9) . . ?
C80 C81 H81 120.4 . . ?
C80 C81 C82 119.1(10) . . ?
C82 C81 H81 120.4 . . ?
C77 C82 C81 120.7(9) . . ?
C77 C82 H82 119.7 . . ?
C81 C82 H82 119.7 . . ?
C84 C83 C88 121.1(8) . . ?
C84 C83 S3 123.2(6) . . ?
C88 C83 S3 115.6(7) . . ?
C83 C84 H84 120.8 . . ?
C83 C84 C85 118.5(8) . . ?
C85 C84 H84 120.8 . . ?
C84 C85 H85 119.8 . . ?
C86 C85 C84 120.4(9) . . ?
C86 C85 H85 119.8 . . ?
C85 C86 Cl3 119.6(8) . . ?
C87 C86 C85 121.1(8) . . ?
C87 C86 Cl3 119.2(7) . . ?
C86 C87 H87 120.0 . . ?
C86 C87 C88 119.9(9) . . ?
C88 C87 H87 120.0 . . ?
C83 C88 C87 118.8(9) . . ?
C83 C88 H88 120.6 . . ?
C87 C88 H88 120.6 . . ?
H1A O1 H1B 106.8 . . ?
Ag2 O1 H1A 109.7 . . ?
Ag2 O1 H1B 112.2 . . ?
C55 O2 C58 108.5(8) . . ?
C55 O2 Ag2 121.8(7) . . ?
C58 O2 Ag2 129.6(6) . . ?
C59 O3 C62 109.9(8) . . ?
C59 O3 Ag2 121.8(7) . . ?
C62 O3 Ag2 126.9(6) . . ?
C68 O4 C65 108.4(11) . . ?
C63 O5 C64 111.5(12) . . ?
C1 P1 C7 106.1(4) . . ?
C1 P1 C13 104.6(4) . . ?
C1 P1 Pd1 112.6(3) . . ?
C7 P1 C13 103.6(3) . . ?
C7 P1 Pd1 115.0(3) . . ?
C13 P1 Pd1 113.8(2) . . ?
C19 P2 C25 103.1(4) . . ?
C19 P2 C31 105.4(4) . . ?
C19 P2 Pd2 116.6(3) . . ?
C25 P2 Pd2 116.8(3) . . ?
C31 P2 C25 103.0(4) . . ?
C31 P2 Pd2 110.5(3) . . ?
C37 P3 C43 102.3(4) . . ?
C37 P3 C48 104.5(4) . . ?
C37 P3 Pd3 117.5(3) . . ?
C43 P3 C48 105.8(4) . . ?
C43 P3 Pd3 115.1(3) . . ?
C48 P3 Pd3 110.4(3) . . ?
C71 S1 Pd1 113.4(3) . . ?
C71 S1 Pd3 108.8(2) . . ?
Pd3 S1 Pd1 78.76(6) . . ?
C77 S2 Pd1 113.4(3) . . ?
C77 S2 Pd2 113.3(2) . . ?
Pd1 S2 Pd2 79.66(7) . . ?
C83 S3 Pd2 109.5(3) . . ?
C83 S3 Pd3 114.6(3) . . ?
Pd2 S3 Pd3 78.90(6) . . ?
P1 Pd1 Pd2 147.33(6) . . ?
P1 Pd1 Pd3 152.41(6) . . ?
P1 Pd1 Ag2 130.87(6) . . ?
S1 Pd1 P1 102.35(7) . . ?
S1 Pd1 Pd2 110.23(5) . . ?
S1 Pd1 Pd3 50.50(5) . . ?
S1 Pd1 Ag2 82.63(6) . . ?
S2 Pd1 P1 97.67(7) . . ?
S2 Pd1 S1 159.30(7) . . ?
S2 Pd1 Pd2 50.23(5) . . ?
S2 Pd1 Pd3 109.86(5) . . ?
S2 Pd1 Ag2 80.32(6) . . ?
Pd3 Pd1 Pd2 59.798(18) . . ?
Ag2 Pd1 Pd2 58.258(19) . . ?
Ag2 Pd1 Pd3 58.79(2) . . ?
P2 Pd2 Pd1 149.12(6) . . ?
P2 Pd2 Pd3 149.38(6) . . ?
P2 Pd2 Ag2 133.38(6) . . ?
S2 Pd2 P2 100.40(7) . . ?
S2 Pd2 Pd1 50.11(5) . . ?
S2 Pd2 Pd3 109.74(5) . . ?
S2 Pd2 Ag2 81.23(5) . . ?
S3 Pd2 P2 99.90(7) . . ?
S3 Pd2 S2 159.17(7) . . ?
S3 Pd2 Pd1 110.43(5) . . ?
S3 Pd2 Pd3 50.74(5) . . ?
S3 Pd2 Ag2 81.48(5) . . ?
Pd3 Pd2 Pd1 59.799(18) . . ?
Ag2 Pd2 Pd1 59.74(2) . . ?
Ag2 Pd2 Pd3 59.27(2) . . ?
P3 Pd3 Pd1 149.50(6) . . ?
P3 Pd3 Pd2 149.18(5) . . ?
P3 Pd3 Ag2 131.78(6) . . ?
S1 Pd3 P3 99.46(7) . . ?
S1 Pd3 S3 160.53(7) . . ?
S1 Pd3 Pd1 50.75(5) . . ?
S1 Pd3 Pd2 111.08(6) . . ?
S1 Pd3 Ag2 83.45(5) . . ?
S3 Pd3 P3 99.60(7) . . ?
S3 Pd3 Pd1 110.65(5) . . ?
S3 Pd3 Pd2 50.36(5) . . ?
S3 Pd3 Ag2 80.95(5) . . ?
Pd1 Pd3 Pd2 60.404(18) . . ?
Ag2 Pd3 Pd1 59.79(2) . . ?
Ag2 Pd3 Pd2 58.78(2) . . ?
O1 Ag2 O2 95.3(3) . . ?
O1 Ag2 O3 95.0(3) . . ?
O1 Ag2 Pd1 142.73(19) . . ?
O1 Ag2 Pd2 82.49(19) . . ?
O1 Ag2 Pd3 112.9(2) . . ?
O2 Ag2 Pd1 121.34(18) . . ?
O2 Ag2 Pd2 152.4(2) . . ?
O2 Ag2 Pd3 94.46(19) . . ?
O3 Ag2 O2 91.1(3) . . ?
O3 Ag2 Pd1 91.4(2) . . ?
O3 Ag2 Pd2 116.5(2) . . ?
O3 Ag2 Pd3 150.9(2) . . ?
Pd2 Ag2 Pd1 62.00(2) . . ?
Pd2 Ag2 Pd3 61.95(2) . . ?
Pd3 Ag2 Pd1 61.42(2) . . ?
F11 Sb1 F10 179.6(4) . . ?
F11 Sb1 F12 90.6(4) . . ?
F12 Sb1 F10 89.3(3) . . ?
F13 Sb1 F10 90.4(4) . . ?
F13 Sb1 F11 89.9(4) . . ?
F13 Sb1 F12 89.6(4) . . ?
F14 Sb1 F10 88.6(3) . . ?
F14 Sb1 F11 91.6(4) . . ?
F14 Sb1 F12 177.8(4) . . ?
F14 Sb1 F13 90.9(4) . . ?
F15 Sb1 F10 87.7(4) . . ?
F15 Sb1 F11 91.9(4) . . ?
F15 Sb1 F12 89.3(4) . . ?
F15 Sb1 F13 177.9(4) . . ?
F15 Sb1 F14 90.1(4) . . ?
F16 Sb2 F17 90.3(4) . . ?
F16 Sb2 F19 89.9(4) . . ?
F16 Sb2 F20 84.5(5) . . ?
F17 Sb2 F20 89.3(5) . . ?
F18 Sb2 F16 178.1(7) . . ?
F18 Sb2 F17 90.5(4) . . ?
F18 Sb2 F19 89.2(4) . . ?
F18 Sb2 F20 93.9(7) . . ?
F18 Sb2 F21 92.2(7) . . ?
F19 Sb2 F17 178.2(5) . . ?
F19 Sb2 F20 88.9(5) . . ?
F21 Sb2 F16 89.4(6) . . ?
F21 Sb2 F17 92.5(6) . . ?
F21 Sb2 F19 89.3(5) . . ?
F21 Sb2 F20 173.7(6) . . ?

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
C1 C2 C3 C4 0.3(16) . . . . ?
C2 C1 C6 C5 -0.6(15) . . . . ?
C2 C1 P1 C7 151.8(7) . . . . ?
C2 C1 P1 C13 -99.0(7) . . . . ?
C2 C1 P1 Pd1 25.1(8) . . . . ?
C2 C3 C4 C5 -0.6(17) . . . . ?
C2 C3 C4 F1 178.8(9) . . . . ?
C3 C4 C5 C6 0.2(18) . . . . ?
C4 C5 C6 C1 0.4(16) . . . . ?
C6 C1 C2 C3 0.2(14) . . . . ?
C6 C1 P1 C7 -31.1(9) . . . . ?
C6 C1 P1 C13 78.1(8) . . . . ?
C6 C1 P1 Pd1 -157.8(7) . . . . ?
C7 C8 C9 C10 1.5(18) . . . . ?
C8 C7 C12 C11 -2.4(14) . . . . ?
C8 C7 P1 C1 -88.4(8) . . . . ?
C8 C7 P1 C13 161.7(7) . . . . ?
C8 C7 P1 Pd1 36.9(8) . . . . ?
C8 C9 C10 C11 -2.3(19) . . . . ?
C8 C9 C10 F2 177.1(11) . . . . ?
C9 C10 C11 C12 0.7(18) . . . . ?
C10 C11 C12 C7 1.7(16) . . . . ?
C12 C7 C8 C9 0.8(15) . . . . ?
C12 C7 P1 C1 89.9(8) . . . . ?
C12 C7 P1 C13 -20.0(8) . . . . ?
C12 C7 P1 Pd1 -144.8(7) . . . . ?
C13 C14 C15 C16 -0.2(13) . . . . ?
C14 C13 C18 C17 -1.2(11) . . . . ?
C14 C13 P1 C1 -166.6(6) . . . . ?
C14 C13 P1 C7 -55.6(7) . . . . ?
C14 C13 P1 Pd1 70.1(6) . . . . ?
C14 C15 C16 C17 0.7(14) . . . . ?
C14 C15 C16 F3 179.3(8) . . . . ?
C15 C16 C17 C18 -1.4(13) . . . . ?
C16 C17 C18 C13 1.7(12) . . . . ?
C18 C13 C14 C15 0.4(11) . . . . ?
C18 C13 P1 C1 14.8(7) . . . . ?
C18 C13 P1 C7 125.9(6) . . . . ?
C18 C13 P1 Pd1 -108.5(6) . . . . ?
C19 C20 C21 C22 0.4(16) . . . . ?
C20 C19 C24 C23 1.6(16) . . . . ?
C20 C19 P2 C25 151.5(8) . . . . ?
C20 C19 P2 C31 -100.8(8) . . . . ?
C20 C19 P2 Pd2 22.2(9) . . . . ?
C20 C21 C22 C23 2.5(18) . . . . ?
C20 C21 C22 F4 -179.3(10) . . . . ?
C21 C22 C23 C24 -3.3(19) . . . . ?
C22 C23 C24 C19 1.2(18) . . . . ?
C24 C19 C20 C21 -2.4(15) . . . . ?
C24 C19 P2 C25 -31.6(9) . . . . ?
C24 C19 P2 C31 76.1(9) . . . . ?
C24 C19 P2 Pd2 -160.9(8) . . . . ?
C25 C26 C27 C28 1.3(17) . . . . ?
C26 C25 C30 C29 -0.7(14) . . . . ?
C26 C25 P2 C19 113.8(8) . . . . ?
C26 C25 P2 C31 4.3(9) . . . . ?
C26 C25 P2 Pd2 -116.9(8) . . . . ?
C26 C27 C28 C29 -2.0(17) . . . . ?
C26 C27 C28 F5 179.7(10) . . . . ?
C27 C28 C29 C30 1.4(16) . . . . ?
C28 C29 C30 C25 0.0(14) . . . . ?
C30 C25 C26 C27 0.1(15) . . . . ?
C30 C25 P2 C19 -66.2(8) . . . . ?
C30 C25 P2 C31 -175.7(7) . . . . ?
C30 C25 P2 Pd2 63.0(8) . . . . ?
C31 C32 C33 C34 4(2) . . . . ?
C32 C31 C36 C35 3(3) . . . . ?
C32 C31 P2 C19 161.3(8) . . . . ?
C32 C31 P2 C25 -91.0(9) . . . . ?
C32 C31 P2 Pd2 34.5(9) . . . . ?
C32 C33 C34 C35 -6(3) . . . . ?
C32 C33 C34 F6 -179.0(14) . . . . ?
C33 C34 C35 C36 8(4) . . . . ?
C34 C35 C36 C31 -6(4) . . . . ?
C36 C31 C32 C33 -1.8(19) . . . . ?
C36 C31 P2 C19 -23.5(13) . . . . ?
C36 C31 P2 C25 84.3(13) . . . . ?
C36 C31 P2 Pd2 -150.3(13) . . . . ?
C37 C38 C39 C40 -1.1(15) . . . . ?
C38 C37 C42 C41 -1.5(13) . . . . ?
C38 C37 P3 C43 121.5(8) . . . . ?
C38 C37 P3 C48 11.4(9) . . . . ?
C38 C37 P3 Pd3 -111.4(7) . . . . ?
C38 C39 C40 C41 1.6(16) . . . . ?
C38 C39 C40 F7 -178.7(9) . . . . ?
C39 C40 C41 C42 -2.0(16) . . . . ?
C40 C41 C42 C37 1.9(14) . . . . ?
C42 C37 C38 C39 1.1(14) . . . . ?
C42 C37 P3 C43 -60.3(7) . . . . ?
C42 C37 P3 C48 -170.5(7) . . . . ?
C42 C37 P3 Pd3 66.8(7) . . . . ?
C43 C44 C45 C51 -3(2) . . . . ?
C44 C43 C47 C46 1.8(19) . . . . ?
C44 C43 P3 C37 149.5(8) . . . . ?
C44 C43 P3 C48 -101.3(8) . . . . ?
C44 C43 P3 Pd3 20.9(9) . . . . ?
C44 C45 C51 C46 5(2) . . . . ?
C44 C45 C51 F8 -177.3(13) . . . . ?
C47 C43 C44 C45 0.0(17) . . . . ?
C47 C43 P3 C37 -33.7(10) . . . . ?
C47 C43 P3 C48 75.4(10) . . . . ?
C47 C43 P3 Pd3 -162.3(8) . . . . ?
C47 C46 C51 C45 -3(3) . . . . ?
C47 C46 C51 F8 179.0(15) . . . . ?
C48 C49 C50 C52 2.7(18) . . . . ?
C48 C53 C54 C52 -1(2) . . . . ?
C49 C48 C53 C54 -2(2) . . . . ?
C49 C48 P3 C37 -85.3(8) . . . . ?
C49 C48 P3 C43 167.1(8) . . . . ?
C49 C48 P3 Pd3 42.0(8) . . . . ?
C49 C50 C52 C54 -6(2) . . . . ?
C49 C50 C52 F9 179.6(11) . . . . ?
C50 C52 C54 C53 6(2) . . . . ?
C51 C46 C47 C43 0(2) . . . . ?
C53 C48 C49 C50 1.2(17) . . . . ?
C53 C48 P3 C37 92.3(10) . . . . ?
C53 C48 P3 C43 -15.3(11) . . . . ?
C53 C48 P3 Pd3 -140.4(9) . . . . ?
C55 C56 C57 C58 22.8(16) . . . . ?
C56 C55 O2 C58 -12.7(15) . . . . ?
C56 C55 O2 Ag2 170.8(9) . . . . ?
C56 C57 C58 O2 -30.7(14) . . . . ?
C57 C58 O2 C55 27.1(13) . . . . ?
C57 C58 O2 Ag2 -156.8(8) . . . . ?
C59 C60 C61 C62 -24.6(15) . . . . ?
C60 C59 O3 C62 -25.1(16) . . . . ?
C60 C59 O3 Ag2 167.7(9) . . . . ?
C60 C61 C62 O3 10.3(14) . . . . ?
C61 C62 O3 C59 8.8(14) . . . . ?
C61 C62 O3 Ag2 175.1(8) . . . . ?
C63 C66 C67 C64 -26(3) . . . . ?
C66 C63 O5 C64 -2(2) . . . . ?
C67 C64 O5 C63 -13.6(18) . . . . ?
C68 C69 C70 C65 -3(3) . . . . ?
C69 C68 O4 C65 -19(2) . . . . ?
C70 C65 O4 C68 16(2) . . . . ?
C71 C72 C73 C74 0.5(15) . . . . ?
C72 C71 C76 C75 0.0(13) . . . . ?
C72 C71 S1 Pd1 -55.4(8) . . . . ?
C72 C71 S1 Pd3 30.1(8) . . . . ?
C72 C73 C74 C75 -0.8(15) . . . . ?
C72 C73 C74 Cl1 179.5(7) . . . . ?
C73 C74 C75 C76 0.8(15) . . . . ?
C74 C75 C76 C71 -0.4(14) . . . . ?
C76 C71 C72 C73 -0.1(13) . . . . ?
C76 C71 S1 Pd1 129.1(6) . . . . ?
C76 C71 S1 Pd3 -145.3(6) . . . . ?
C77 C78 C79 C80 0.6(13) . . . . ?
C78 C77 C82 C81 -1.1(12) . . . . ?
C78 C77 S2 Pd1 24.9(7) . . . . ?
C78 C77 S2 Pd2 -63.6(7) . . . . ?
C78 C79 C80 C81 -1.7(14) . . . . ?
C78 C79 C80 Cl2 176.5(7) . . . . ?
C79 C80 C81 C82 1.4(15) . . . . ?
C80 C81 C82 C77 0.0(14) . . . . ?
C82 C77 C78 C79 0.8(12) . . . . ?
C82 C77 S2 Pd1 -152.5(5) . . . . ?
C82 C77 S2 Pd2 119.0(6) . . . . ?
C83 C84 C85 C86 -3.6(15) . . . . ?
C84 C83 C88 C87 -2.8(14) . . . . ?
C84 C83 S3 Pd2 30.9(8) . . . . ?
C84 C83 S3 Pd3 -55.6(8) . . . . ?
C84 C85 C86 C87 -0.2(15) . . . . ?
C84 C85 C86 Cl3 176.2(8) . . . . ?
C85 C86 C87 C88 2.5(16) . . . . ?
C86 C87 C88 C83 -1.0(15) . . . . ?
C88 C83 C84 C85 5.1(14) . . . . ?
C88 C83 S3 Pd2 -145.3(6) . . . . ?
C88 C83 S3 Pd3 128.2(6) . . . . ?
O2 C55 C56 C57 -7.2(17) . . . . ?
O3 C59 C60 C61 30.6(16) . . . . ?
O4 C65 C70 C69 -8(3) . . . . ?
O4 C68 C69 C70 13(3) . . . . ?
O5 C63 C66 C67 18(3) . . . . ?
O5 C64 C67 C66 23(2) . . . . ?
F1 C4 C5 C6 -179.2(9) . . . . ?
F2 C10 C11 C12 -178.7(10) . . . . ?
F3 C16 C17 C18 180.0(7) . . . . ?
F4 C22 C23 C24 178.4(10) . . . . ?
F5 C28 C29 C30 179.7(9) . . . . ?
F6 C34 C35 C36 -180(2) . . . . ?
F7 C40 C41 C42 178.3(9) . . . . ?
F9 C52 C54 C53 180.0(13) . . . . ?
P1 C1 C2 C3 177.5(8) . . . . ?
P1 C1 C6 C5 -177.8(8) . . . . ?
P1 C7 C8 C9 179.2(9) . . . . ?
P1 C7 C12 C11 179.2(8) . . . . ?
P1 C13 C14 C15 -178.1(6) . . . . ?
P1 C13 C18 C17 177.3(6) . . . . ?
P2 C19 C20 C21 174.7(8) . . . . ?
P2 C19 C24 C23 -175.5(9) . . . . ?
P2 C25 C26 C27 -180.0(9) . . . . ?
P2 C25 C30 C29 179.3(7) . . . . ?
P2 C31 C32 C33 173.7(9) . . . . ?
P2 C31 C36 C35 -172.5(18) . . . . ?
P3 C37 C38 C39 179.2(7) . . . . ?
P3 C37 C42 C41 -179.7(7) . . . . ?
P3 C43 C44 C45 176.9(9) . . . . ?
P3 C43 C47 C46 -175.1(12) . . . . ?
P3 C48 C49 C50 178.8(9) . . . . ?
P3 C48 C53 C54 -179.4(12) . . . . ?
S1 C71 C72 C73 -175.5(7) . . . . ?
S1 C71 C76 C75 175.8(7) . . . . ?
S2 C77 C78 C79 -176.6(6) . . . . ?
S2 C77 C82 C81 176.5(7) . . . . ?
S3 C83 C84 C85 -170.9(7) . . . . ?
S3 C83 C88 C87 173.5(8) . . . . ?
Cl1 C74 C75 C76 -179.5(7) . . . . ?
Cl2 C80 C81 C82 -176.8(7) . . . . ?
Cl3 C86 C87 C88 -173.9(8) . . . . ?

_shelx_SHELXL_version_number     2014/7
_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_platon_sq
_database_code_depnum_ccdc_archive 'CCDC 1410440'
_audit_update_record             
;
2015-07-24 deposited with the CCDC.
2017-08-29 downloaded from the CCDC.
;
_audit_creation_date             2015-07-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C72 H52 Ag Cl3 F9 O2 P3 Pd3 S3, 2(B F4), 0.75(C H Cl3)'
_chemical_formula_sum            'C72.75 H52.75 Ag B2 Cl5.25 F17 O2 P3 Pd3 S3'
_chemical_formula_weight         2105.79
_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 0.0181 0.0091 '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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'

_cell_length_a                   19.9665(4)
_cell_length_b                   30.9093(6)
_cell_length_c                   32.546(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     20085.5(15)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    21700
_cell_measurement_temperature    200
_cell_measurement_theta_max      69.9
_cell_measurement_theta_min      2.0
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.716
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.483
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'FS_ABSCOR (Rigaku, 2009)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8284
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0685
_diffrn_reflns_av_unetI/netI     0.0725
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            70255
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        58.936
_diffrn_reflns_theta_max         58.936
_diffrn_reflns_theta_min         2.635
_diffrn_ambient_temperature      200
_diffrn_detector                 RX
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
scan:
	Number of images: 33
	           Slice: 20.0000 - 187.0000
	     Image width: 5.0000
	        Exp time: 300.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 54.0000
	             Phi: 90.0000
	             XTD: 127.4000
	          2theta: 0.0000
scan:
	Number of images: 28
	           Slice: 42.0000 - 185.0000
	     Image width: 5.0000
	        Exp time: 300.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 54.0000
	             Phi: 180.0000
	             XTD: 127.4000
	          2theta: 0.0000
;
_diffrn_measurement_device       
;
Crystal Goniometer
;
_diffrn_measurement_device_type  
;
Rigaku RAXIS conversion
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_orient_matrix_type       FS_PROCESS
_diffrn_orient_matrix_UB_11      0.045779
_diffrn_orient_matrix_UB_12      -0.005303
_diffrn_orient_matrix_UB_13      -0.011408
_diffrn_orient_matrix_UB_21      -0.018783
_diffrn_orient_matrix_UB_22      0.000267
_diffrn_orient_matrix_UB_23      -0.028489
_diffrn_orient_matrix_UB_31      0.007762
_diffrn_orient_matrix_UB_32      0.031920
_diffrn_orient_matrix_UB_33      -0.001657
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9646
_reflns_number_total             14426
_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       
;
CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
;
_computing_data_collection       
;
CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.563
_refine_diff_density_min         -1.582
_refine_diff_density_rms         0.152
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     983
_refine_ls_number_reflns         14426
_refine_ls_number_restraints     942
_refine_ls_R_factor_all          0.1117
_refine_ls_R_factor_gt           0.0802
_refine_ls_restrained_S_all      1.188
_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)+(0.1369P)²+47.0645P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2131
_refine_ls_wR_factor_ref         0.2819
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3. Others
 Fixed Sof: Cl6(0.75) Cl5(0.75) Cl4(0.75) C73(0.75) H73(0.75)
4.a Riding coordinates:
 O2(H2A,H2B)
4.b Free rotating group:
 Cl6(Cl5,Cl4,C73,O2)
4.c Rotating group:
 O1(H1A,H1B)
4.d Ternary CH refined with riding coordinates:
 C73(H73)
4.e Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C11(H11), C12(H12), C14(H14),
 C15(H15), C17(H17), C18(H18), C20(H20), C21(H21), C23(H23), C24(H24), C26(H26),
  C27(H27), C29(H29), C30(H30), C32(H32), C33(H33), C35(H35), C36(H36),
 C38(H38), C39(H39), C41(H41), C42(H42), C44(H44), C45(H45), C47(H47), C48(H48),
  C50(H50), C51(H51), C53(H53), C54(H54), C56(H56), C57(H57), C59(H59),
 C60(H60), C62(H62), C63(H63), C65(H65), C66(H66), C68(H68), C69(H69), C71(H71),
  C72(H72)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7648(6) 0.4505(4) 0.4864(4) 0.068(3) Uani 1 1 d . U . . .
C2 C 0.8058(7) 0.4506(5) 0.4502(4) 0.085(4) Uani 1 1 d . U . . .
H2 H 0.8352 0.4734 0.4455 0.102 Uiso 1 1 calc R . . . .
C3 C 0.8017(8) 0.4164(5) 0.4214(4) 0.100(4) Uani 1 1 d . U . . .
H3 H 0.8287 0.4158 0.3981 0.120 Uiso 1 1 calc R . . . .
C4 C 0.7559(8) 0.3840(5) 0.4292(4) 0.093(4) Uani 1 1 d . U . . .
C5 C 0.7132(7) 0.3848(4) 0.4622(4) 0.087(4) Uani 1 1 d . U . . .
H5 H 0.6820 0.3628 0.4657 0.105 Uiso 1 1 calc R . . . .
C6 C 0.7166(6) 0.4184(4) 0.4902(4) 0.075(3) Uani 1 1 d . U . . .
H6 H 0.6863 0.4194 0.5118 0.090 Uiso 1 1 calc R . . . .
C7 C 0.7651(6) 0.5422(4) 0.4906(4) 0.065(3) Uani 1 1 d . U . . .
C8 C 0.6998(7) 0.5587(4) 0.4806(4) 0.076(3) Uani 1 1 d . U . . .
H8 H 0.6624 0.5455 0.4922 0.091 Uiso 1 1 calc R . . . .
C9 C 0.6910(7) 0.5923(4) 0.4552(4) 0.089(4) Uani 1 1 d . U . . .
H9 H 0.6483 0.6028 0.4496 0.107 Uiso 1 1 calc R . . . .
C10 C 0.7492(8) 0.6117(4) 0.4368(4) 0.086(4) Uani 1 1 d . U . . .
C11 C 0.8107(8) 0.5985(5) 0.4447(4) 0.093(4) Uani 1 1 d . U . . .
H11 H 0.8473 0.6126 0.4332 0.111 Uiso 1 1 calc R . . . .
C12 C 0.8199(7) 0.5631(4) 0.4708(4) 0.074(3) Uani 1 1 d . U . . .
H12 H 0.8631 0.5529 0.4753 0.088 Uiso 1 1 calc R . . . .
C13 C 0.8621(5) 0.4957(4) 0.5382(4) 0.070(3) Uani 1 1 d . U . . .
C14 C 0.8830(6) 0.5313(5) 0.5594(4) 0.078(3) Uani 1 1 d . U . . .
H14 H 0.8544 0.5547 0.5634 0.094 Uiso 1 1 calc R . . . .
C15 C 0.9492(7) 0.5318(5) 0.5752(5) 0.092(4) Uani 1 1 d . U . . .
H15 H 0.9639 0.5539 0.5924 0.110 Uiso 1 1 calc R . . . .
C16 C 0.9904(7) 0.4988(5) 0.5642(5) 0.087(4) Uani 1 1 d . U . . .
C17 C 0.9700(6) 0.4626(5) 0.5429(4) 0.079(3) Uani 1 1 d . U . . .
H17 H 0.9993 0.4398 0.5380 0.095 Uiso 1 1 calc R . . . .
C18 C 0.9050(6) 0.4614(4) 0.5293(4) 0.077(3) Uani 1 1 d . U . . .
H18 H 0.8896 0.4378 0.5143 0.092 Uiso 1 1 calc R . . . .
C19 C 0.5999(5) 0.6444(3) 0.6320(3) 0.053(2) Uani 1 1 d . U . . .
C20 C 0.5757(6) 0.6465(4) 0.5916(4) 0.071(3) Uani 1 1 d . U . . .
H20 H 0.5485 0.6242 0.5820 0.085 Uiso 1 1 calc R . . . .
C21 C 0.5908(7) 0.6808(4) 0.5654(5) 0.087(4) Uani 1 1 d . U . . .
H21 H 0.5735 0.6822 0.5389 0.105 Uiso 1 1 calc R . . . .
C22 C 0.6313(8) 0.7115(5) 0.5801(5) 0.092(4) Uani 1 1 d . U . . .
C23 C 0.6577(7) 0.7113(4) 0.6181(5) 0.086(4) Uani 1 1 d . U . . .
H23 H 0.6861 0.7335 0.6265 0.103 Uiso 1 1 calc R . . . .
C24 C 0.6424(6) 0.6780(3) 0.6446(4) 0.066(3) Uani 1 1 d . U . . .
H24 H 0.6602 0.6778 0.6710 0.079 Uiso 1 1 calc R . . . .
C25 C 0.4882(6) 0.5983(4) 0.6672(4) 0.066(3) Uani 1 1 d . U . . .
C26 C 0.4562(6) 0.5649(4) 0.6857(4) 0.078(4) Uani 1 1 d . U . . .
H26 H 0.4810 0.5421 0.6965 0.093 Uiso 1 1 calc R . . . .
C27 C 0.3883(6) 0.5641(5) 0.6885(5) 0.097(5) Uani 1 1 d . U . . .
H27 H 0.3666 0.5408 0.7006 0.116 Uiso 1 1 calc R . . . .
C28 C 0.3526(6) 0.5977(5) 0.6734(4) 0.077(3) Uani 1 1 d . U . . .
C29 C 0.3818(6) 0.6319(5) 0.6571(4) 0.093(4) Uani 1 1 d . U . . .
H29 H 0.3559 0.6552 0.6485 0.111 Uiso 1 1 calc R . . . .
C30 C 0.4502(6) 0.6333(5) 0.6528(4) 0.089(4) Uani 1 1 d . U . . .
H30 H 0.4708 0.6569 0.6406 0.107 Uiso 1 1 calc R . . . .
C31 C 0.6088(6) 0.6145(4) 0.7141(4) 0.066(3) Uani 1 1 d . U . . .
C32 C 0.6726(6) 0.6026(4) 0.7262(4) 0.072(3) Uani 1 1 d . U . . .
H32 H 0.6989 0.5861 0.7086 0.087 Uiso 1 1 calc R . . . .
C33 C 0.6984(7) 0.6149(4) 0.7648(4) 0.081(3) Uani 1 1 d . U . . .
H33 H 0.7414 0.6073 0.7730 0.097 Uiso 1 1 calc R . . . .
C34 C 0.6577(8) 0.6382(5) 0.7891(5) 0.092(4) Uani 1 1 d . U . . .
C35 C 0.5949(7) 0.6503(4) 0.7796(4) 0.090(4) Uani 1 1 d . U . . .
H35 H 0.5689 0.6663 0.7978 0.108 Uiso 1 1 calc R . . . .
C36 C 0.5706(7) 0.6379(4) 0.7411(4) 0.076(3) Uani 1 1 d . U . . .
H36 H 0.5273 0.6457 0.7336 0.091 Uiso 1 1 calc R . . . .
C37 C 0.6181(6) 0.3842(3) 0.7396(4) 0.066(3) Uani 1 1 d . U . . .
C38 C 0.6559(7) 0.3791(4) 0.7735(4) 0.080(3) Uani 1 1 d . U . . .
H38 H 0.7015 0.3740 0.7702 0.096 Uiso 1 1 calc R . . . .
C39 C 0.6300(8) 0.3811(5) 0.8134(5) 0.107(5) Uani 1 1 d . U . . .
H39 H 0.6566 0.3758 0.8362 0.128 Uiso 1 1 calc R . . . .
C40 C 0.5625(8) 0.3915(5) 0.8171(5) 0.094(4) Uani 1 1 d . U . . .
C41 C 0.5219(8) 0.3962(4) 0.7832(5) 0.096(4) Uani 1 1 d . U . . .
H41 H 0.4764 0.4017 0.7863 0.115 Uiso 1 1 calc R . . . .
C42 C 0.5503(7) 0.3927(4) 0.7442(5) 0.086(4) Uani 1 1 d . U . . .
H42 H 0.5235 0.3961 0.7211 0.103 Uiso 1 1 calc R . . . .
C43 C 0.6075(6) 0.3375(3) 0.6636(4) 0.065(3) Uani 1 1 d . U . . .
C44 C 0.5995(7) 0.3374(4) 0.6214(5) 0.087(4) Uani 1 1 d . U . . .
H44 H 0.6166 0.3598 0.6055 0.104 Uiso 1 1 calc R . . . .
C45 C 0.5657(8) 0.3036(4) 0.6032(5) 0.109(5) Uani 1 1 d . U . . .
H45 H 0.5588 0.3032 0.5749 0.131 Uiso 1 1 calc R . . . .
C46 C 0.5430(8) 0.2714(5) 0.6266(6) 0.109(4) Uani 1 1 d . U . . .
C47 C 0.5469(8) 0.2708(4) 0.6683(6) 0.109(5) Uani 1 1 d . U . . .
H47 H 0.5287 0.2483 0.6837 0.131 Uiso 1 1 calc R . . . .
C48 C 0.5792(6) 0.3054(4) 0.6866(5) 0.082(3) Uani 1 1 d . U . . .
H48 H 0.5816 0.3068 0.7151 0.098 Uiso 1 1 calc R . . . .
C49 C 0.7372(6) 0.3610(3) 0.6962(3) 0.062(3) Uani 1 1 d . U . . .
C50 C 0.7879(6) 0.3885(4) 0.7097(4) 0.064(3) Uani 1 1 d . U . . .
H50 H 0.7774 0.4176 0.7133 0.077 Uiso 1 1 calc R . . . .
C51 C 0.8514(6) 0.3758(4) 0.7177(4) 0.067(3) Uani 1 1 d . U . . .
H51 H 0.8835 0.3950 0.7276 0.081 Uiso 1 1 calc R . . . .
C52 C 0.8658(6) 0.3334(4) 0.7104(5) 0.091(4) Uani 1 1 d . U . . .
C53 C 0.8200(7) 0.3044(4) 0.6978(6) 0.124(7) Uani 1 1 d . U . . .
H53 H 0.8316 0.2754 0.6949 0.148 Uiso 1 1 calc R . . . .
C54 C 0.7555(7) 0.3178(4) 0.6893(5) 0.096(4) Uani 1 1 d . U . . .
H54 H 0.7244 0.2982 0.6790 0.115 Uiso 1 1 calc R . . . .
C55 C 0.7367(5) 0.5943(3) 0.5932(3) 0.057(2) Uani 1 1 d . U . . .
C56 C 0.7750(6) 0.5859(3) 0.6282(4) 0.065(3) Uani 1 1 d . U . . .
H56 H 0.7641 0.5630 0.6454 0.078 Uiso 1 1 calc R . . . .
C57 C 0.8305(7) 0.6125(4) 0.6372(4) 0.080(3) Uani 1 1 d . U . . .
H57 H 0.8564 0.6078 0.6606 0.096 Uiso 1 1 calc R . . . .
C58 C 0.8457(6) 0.6467(4) 0.6098(4) 0.077(3) Uani 1 1 d . U . . .
C59 C 0.8089(6) 0.6527(4) 0.5748(4) 0.080(3) Uani 1 1 d . U . . .
H59 H 0.8213 0.6742 0.5563 0.096 Uiso 1 1 calc R . . . .
C60 C 0.7537(6) 0.6274(3) 0.5664(4) 0.068(3) Uani 1 1 d . U . . .
H60 H 0.7281 0.6325 0.5431 0.082 Uiso 1 1 calc R . . . .
C61 C 0.8073(5) 0.4127(4) 0.6088(4) 0.063(3) Uani 1 1 d . U . . .
C62 C 0.8440(6) 0.4434(4) 0.6300(3) 0.064(3) Uani 1 1 d . U . . .
H62 H 0.8232 0.4685 0.6394 0.077 Uiso 1 1 calc R . . . .
C63 C 0.9102(6) 0.4372(5) 0.6372(4) 0.075(3) Uani 1 1 d . U . . .
H63 H 0.9349 0.4581 0.6510 0.089 Uiso 1 1 calc R . . . .
C64 C 0.9405(7) 0.4000(5) 0.6241(4) 0.083(3) Uani 1 1 d . U . . .
C65 C 0.9033(7) 0.3685(5) 0.6046(5) 0.095(4) Uani 1 1 d . U . . .
H65 H 0.9235 0.3426 0.5969 0.114 Uiso 1 1 calc R . . . .
C66 C 0.8355(7) 0.3753(4) 0.5964(4) 0.080(3) Uani 1 1 d . U . . .
H66 H 0.8104 0.3545 0.5826 0.096 Uiso 1 1 calc R . . . .
C67 C 0.6238(5) 0.4959(3) 0.7385(4) 0.057(2) Uani 1 1 d . U . . .
C68 C 0.6934(5) 0.4976(3) 0.7441(3) 0.057(3) Uani 1 1 d . U . . .
H68 H 0.7220 0.4937 0.7218 0.069 Uiso 1 1 calc R . . . .
C69 C 0.7189(7) 0.5051(4) 0.7825(4) 0.072(3) Uani 1 1 d . U . . .
H69 H 0.7651 0.5062 0.7860 0.086 Uiso 1 1 calc R . . . .
C70 C 0.6786(8) 0.5110(4) 0.8151(4) 0.080(3) Uani 1 1 d . U . . .
C71 C 0.6094(8) 0.5101(5) 0.8108(4) 0.094(4) Uani 1 1 d . U . . .
H71 H 0.5818 0.5148 0.8333 0.113 Uiso 1 1 calc R . . . .
C72 C 0.5817(6) 0.5021(4) 0.7717(4) 0.067(3) Uani 1 1 d . U . . .
H72 H 0.5355 0.5010 0.7683 0.080 Uiso 1 1 calc R . . . .
Ag1 Ag 0.56738(4) 0.47207(3) 0.58924(3) 0.0692(3) Uani 1 1 d . U . . .
B1 B 0.8789(10) 0.5249(7) 0.7193(6) 0.092(4) Uani 1 1 d . U . . .
Cl1 Cl 0.91418(19) 0.67838(12) 0.62036(15) 0.1131(13) Uani 1 1 d . U . . .
Cl2 Cl 1.02559(19) 0.39193(16) 0.63074(15) 0.1274(16) Uani 1 1 d . U . . .
Cl3 Cl 0.7104(3) 0.52234(18) 0.86261(13) 0.1303(16) Uani 1 1 d . U . . .
F1 F 0.7530(5) 0.3511(3) 0.4032(2) 0.121(3) Uani 1 1 d . U . . .
F2 F 0.7385(5) 0.6450(3) 0.4111(3) 0.137(3) Uani 1 1 d . U . . .
F3 F 1.0541(4) 0.4997(3) 0.5796(3) 0.113(3) Uani 1 1 d . U . . .
F4 F 0.6498(6) 0.7447(3) 0.5537(3) 0.144(4) Uani 1 1 d . U . . .
F5 F 0.2840(3) 0.5958(3) 0.6760(3) 0.109(3) Uani 1 1 d . U . . .
F6 F 0.6819(5) 0.6500(3) 0.8275(3) 0.129(3) Uani 1 1 d . U . . .
F7 F 0.5356(5) 0.3948(3) 0.8547(3) 0.136(3) Uani 1 1 d . U . . .
F8 F 0.5113(6) 0.2362(3) 0.6081(3) 0.159(4) Uani 1 1 d . U . . .
F9 F 0.9293(4) 0.3190(3) 0.7190(4) 0.146(4) Uani 1 1 d . U . . .
F10 F 0.8359(5) 0.5579(3) 0.7230(3) 0.135(3) Uani 1 1 d . U . . .
F11 F 0.8464(4) 0.4861(3) 0.7207(3) 0.120(3) Uani 1 1 d . U . . .
F12 F 0.9170(5) 0.5263(3) 0.7559(3) 0.128(3) Uani 1 1 d . U . . .
F13 F 0.9209(4) 0.5294(3) 0.6880(3) 0.113(3) Uani 1 1 d . U . . .
P1 P 0.77291(15) 0.49497(9) 0.52206(10) 0.0623(8) Uani 1 1 d . U . . .
P2 P 0.57993(14) 0.59912(9) 0.66401(10) 0.0589(8) Uani 1 1 d . U . . .
P3 P 0.65428(14) 0.38147(9) 0.68839(10) 0.0590(8) Uani 1 1 d . U . . .
Pd1 Pd 0.70454(4) 0.49091(3) 0.57923(3) 0.0574(3) Uani 1 1 d . U . . .
Pd2 Pd 0.62345(4) 0.53446(3) 0.64091(3) 0.0557(3) Uani 1 1 d . U . . .
Pd3 Pd 0.65691(4) 0.44457(3) 0.65029(3) 0.0573(3) Uani 1 1 d . U . . .
S1 S 0.66709(14) 0.56085(9) 0.58122(9) 0.0612(8) Uani 1 1 d . U . . .
S2 S 0.72007(15) 0.41974(9) 0.59639(9) 0.0619(8) Uani 1 1 d . U . . .
S3 S 0.58685(14) 0.48621(9) 0.68957(9) 0.0602(7) Uani 1 1 d . U . . .
F14 F 0.5659(4) 0.4112(3) 0.5349(3) 0.110(3) Uani 1 1 d . U . . .
F15 F 0.4766(5) 0.3701(4) 0.5464(4) 0.153(4) Uani 1 1 d . U . . .
F16 F 0.5465(6) 0.3511(4) 0.4980(4) 0.186(4) Uani 1 1 d . U . . .
F17 F 0.4790(6) 0.4077(4) 0.4914(4) 0.179(4) Uani 1 1 d . U . . .
B2 B 0.5215(13) 0.3867(8) 0.5162(8) 0.126(5) Uani 1 1 d . U . . .
O1 O 0.4861(6) 0.4241(4) 0.6134(4) 0.137(4) Uani 1 1 d . U . . .
H1A H 0.4461 0.4274 0.6000 0.205 Uiso 1 1 d GR . . . .
H1B H 0.4768 0.4276 0.6408 0.205 Uiso 1 1 d GR . . . .
Cl6 Cl 0.9713(6) 0.2651(4) 0.4941(6) 0.453(12) Uani 0.75 1 d . U P . .
Cl5 Cl 0.9129(5) 0.3474(4) 0.4670(3) 0.364(9) Uani 0.75 1 d G U P . .
Cl4 Cl 1.0464(4) 0.3459(5) 0.5044(5) 0.380(9) Uani 0.75 1 d G U P . .
C73 C 0.9879(5) 0.3173(4) 0.4735(3) 0.287(13) Uani 0.75 1 d G U P . .
H73 H 1.0081 0.3133 0.4462 0.345 Uiso 0.75 1 calc R . P . .
O2 O 0.5021(5) 0.5164(4) 0.5483(4) 0.160(5) Uani 1 1 d G U . . .
H2A H 0.5207 0.5192 0.5250 0.240 Uiso 1 1 d R . . . .
H2B H 0.4637 0.5050 0.5453 0.240 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.436(17) . ?
C1 C6 1.388(16) . ?
C1 P1 1.806(12) . ?
C2 H2 0.9300 . ?
C2 C3 1.414(17) . ?
C3 H3 0.9300 . ?
C3 C4 1.38(2) . ?
C4 C5 1.370(18) . ?
C4 F1 1.325(15) . ?
C5 H5 0.9300 . ?
C5 C6 1.383(16) . ?
C6 H6 0.9300 . ?
C7 C8 1.437(16) . ?
C7 C12 1.426(16) . ?
C7 P1 1.790(12) . ?
C8 H8 0.9300 . ?
C8 C9 1.338(16) . ?
C9 H9 0.9300 . ?
C9 C10 1.441(18) . ?
C10 C11 1.318(18) . ?
C10 F2 1.343(15) . ?
C11 H11 0.9300 . ?
C11 C12 1.397(17) . ?
C12 H12 0.9300 . ?
C13 C14 1.365(17) . ?
C13 C18 1.392(16) . ?
C13 P1 1.856(11) . ?
C14 H14 0.9300 . ?
C14 C15 1.420(17) . ?
C15 H15 0.9300 . ?
C15 C16 1.360(19) . ?
C16 C17 1.376(18) . ?
C16 F3 1.368(15) . ?
C17 H17 0.9300 . ?
C17 C18 1.373(17) . ?
C18 H18 0.9300 . ?
C19 C20 1.402(15) . ?
C19 C24 1.402(14) . ?
C19 P2 1.791(10) . ?
C20 H20 0.9300 . ?
C20 C21 1.393(16) . ?
C21 H21 0.9300 . ?
C21 C22 1.336(18) . ?
C22 C23 1.345(18) . ?
C22 F4 1.387(15) . ?
C23 H23 0.9300 . ?
C23 C24 1.377(16) . ?
C24 H24 0.9300 . ?
C25 C26 1.355(15) . ?
C25 C30 1.402(16) . ?
C25 P2 1.834(12) . ?
C26 H26 0.9300 . ?
C26 C27 1.360(16) . ?
C27 H27 0.9300 . ?
C27 C28 1.350(17) . ?
C28 C29 1.318(18) . ?
C28 F5 1.374(13) . ?
C29 H29 0.9300 . ?
C29 C30 1.374(16) . ?
C30 H30 0.9300 . ?
C31 C32 1.383(16) . ?
C31 C36 1.371(15) . ?
C31 P2 1.792(12) . ?
C32 H32 0.9300 . ?
C32 C33 1.410(16) . ?
C33 H33 0.9300 . ?
C33 C34 1.342(18) . ?
C34 C35 1.345(18) . ?
C34 F6 1.389(15) . ?
C35 H35 0.9300 . ?
C35 C36 1.397(16) . ?
C36 H36 0.9300 . ?
C37 C38 1.344(16) . ?
C37 C42 1.388(16) . ?
C37 P3 1.819(13) . ?
C38 H38 0.9300 . ?
C38 C39 1.399(18) . ?
C39 H39 0.9300 . ?
C39 C40 1.39(2) . ?
C40 C41 1.38(2) . ?
C40 F7 1.341(15) . ?
C41 H41 0.9300 . ?
C41 C42 1.394(18) . ?
C42 H42 0.9300 . ?
C43 C44 1.383(17) . ?
C43 C48 1.366(15) . ?
C43 P3 1.835(11) . ?
C44 H44 0.9300 . ?
C44 C45 1.378(17) . ?
C45 H45 0.9300 . ?
C45 C46 1.33(2) . ?
C46 C47 1.36(2) . ?
C46 F8 1.396(16) . ?
C47 H47 0.9300 . ?
C47 C48 1.385(17) . ?
C48 H48 0.9300 . ?
C49 C50 1.393(15) . ?
C49 C54 1.403(15) . ?
C49 P3 1.792(11) . ?
C50 H50 0.9300 . ?
C50 C51 1.353(14) . ?
C51 H51 0.9300 . ?
C51 C52 1.364(16) . ?
C52 C53 1.345(17) . ?
C52 F9 1.372(13) . ?
C53 H53 0.9300 . ?
C53 C54 1.379(17) . ?
C54 H54 0.9300 . ?
C55 C56 1.397(15) . ?
C55 C60 1.386(14) . ?
C55 S1 1.774(11) . ?
C56 H56 0.9300 . ?
C56 C57 1.411(16) . ?
C57 H57 0.9300 . ?
C57 C58 1.416(17) . ?
C58 C59 1.369(17) . ?
C58 Cl1 1.715(13) . ?
C59 H59 0.9300 . ?
C59 C60 1.380(16) . ?
C60 H60 0.9300 . ?
C61 C62 1.384(16) . ?
C61 C66 1.350(16) . ?
C61 S2 1.801(11) . ?
C62 H62 0.9300 . ?
C62 C63 1.356(15) . ?
C63 H63 0.9300 . ?
C63 C64 1.367(17) . ?
C64 C65 1.380(19) . ?
C64 Cl2 1.731(14) . ?
C65 H65 0.9300 . ?
C65 C66 1.395(18) . ?
C66 H66 0.9300 . ?
C67 C68 1.402(14) . ?
C67 C72 1.381(15) . ?
C67 S3 1.781(12) . ?
C68 H68 0.9300 . ?
C68 C69 1.369(15) . ?
C69 H69 0.9300 . ?
C69 C70 1.345(17) . ?
C70 C71 1.39(2) . ?
C70 Cl3 1.707(14) . ?
C71 H71 0.9300 . ?
C71 C72 1.410(17) . ?
C72 H72 0.9300 . ?
Ag1 Pd1 2.8186(12) . ?
Ag1 Pd2 2.7928(12) . ?
Ag1 Pd3 2.8045(12) . ?
Ag1 O1 2.334(11) . ?
Ag1 O2 2.312(10) . ?
B1 F10 1.34(2) . ?
B1 F11 1.37(2) . ?
B1 F12 1.41(2) . ?
B1 F13 1.33(2) . ?
P1 Pd1 2.311(3) . ?
P2 Pd2 2.305(3) . ?
P3 Pd3 2.312(3) . ?
Pd1 Pd2 2.9093(12) . ?
Pd1 Pd3 2.8816(12) . ?
Pd1 S1 2.289(3) . ?
Pd1 S2 2.290(3) . ?
Pd2 Pd3 2.8738(11) . ?
Pd2 S1 2.280(3) . ?
Pd2 S3 2.295(3) . ?
Pd3 S2 2.293(3) . ?
Pd3 S3 2.291(3) . ?
F14 B2 1.32(2) . ?
F15 B2 1.42(3) . ?
F16 B2 1.35(3) . ?
F17 B2 1.34(3) . ?
O1 H1A 0.9169 . ?
O1 H1B 0.9196 . ?
Cl6 C73 1.7780 . ?
Cl5 C73 1.7763 . ?
Cl4 C73 1.7774 . ?
C73 H73 0.9800 . ?
O2 H2A 0.8500 . ?
O2 H2B 0.8501 . ?

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
C2 C1 P1 118.3(10) . . ?
C6 C1 C2 118.0(12) . . ?
C6 C1 P1 123.4(10) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.6(13) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 121.4 . . ?
C4 C3 C2 117.3(14) . . ?
C4 C3 H3 121.4 . . ?
C5 C4 C3 122.9(14) . . ?
F1 C4 C3 117.9(14) . . ?
F1 C4 C5 119.1(15) . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0(14) . . ?
C6 C5 H5 120.0 . . ?
C1 C6 H6 119.6 . . ?
C5 C6 C1 120.8(13) . . ?
C5 C6 H6 119.6 . . ?
C8 C7 P1 119.9(9) . . ?
C12 C7 C8 115.7(11) . . ?
C12 C7 P1 124.2(10) . . ?
C7 C8 H8 118.8 . . ?
C9 C8 C7 122.3(13) . . ?
C9 C8 H8 118.8 . . ?
C8 C9 H9 120.9 . . ?
C8 C9 C10 118.3(14) . . ?
C10 C9 H9 120.9 . . ?
C11 C10 C9 122.7(14) . . ?
C11 C10 F2 120.5(14) . . ?
F2 C10 C9 116.7(13) . . ?
C10 C11 H11 120.5 . . ?
C10 C11 C12 119.0(14) . . ?
C12 C11 H11 120.5 . . ?
C7 C12 H12 119.0 . . ?
C11 C12 C7 121.9(13) . . ?
C11 C12 H12 119.0 . . ?
C14 C13 C18 122.0(12) . . ?
C14 C13 P1 116.5(9) . . ?
C18 C13 P1 121.5(10) . . ?
C13 C14 H14 120.8 . . ?
C13 C14 C15 118.5(13) . . ?
C15 C14 H14 120.8 . . ?
C14 C15 H15 121.3 . . ?
C16 C15 C14 117.4(14) . . ?
C16 C15 H15 121.3 . . ?
C15 C16 C17 124.3(14) . . ?
C15 C16 F3 116.8(14) . . ?
F3 C16 C17 118.5(13) . . ?
C16 C17 H17 121.1 . . ?
C18 C17 C16 117.7(13) . . ?
C18 C17 H17 121.1 . . ?
C13 C18 H18 120.2 . . ?
C17 C18 C13 119.6(13) . . ?
C17 C18 H18 120.2 . . ?
C20 C19 P2 120.3(8) . . ?
C24 C19 C20 116.7(10) . . ?
C24 C19 P2 122.9(9) . . ?
C19 C20 H20 118.9 . . ?
C21 C20 C19 122.2(12) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 H21 121.5 . . ?
C22 C21 C20 117.1(14) . . ?
C22 C21 H21 121.5 . . ?
C21 C22 C23 124.2(14) . . ?
C21 C22 F4 117.7(14) . . ?
C23 C22 F4 118.1(14) . . ?
C22 C23 H23 120.2 . . ?
C22 C23 C24 119.5(14) . . ?
C24 C23 H23 120.2 . . ?
C19 C24 H24 119.8 . . ?
C23 C24 C19 120.3(12) . . ?
C23 C24 H24 119.8 . . ?
C26 C25 C30 118.7(11) . . ?
C26 C25 P2 120.5(9) . . ?
C30 C25 P2 120.7(9) . . ?
C25 C26 H26 119.5 . . ?
C25 C26 C27 120.9(12) . . ?
C27 C26 H26 119.5 . . ?
C26 C27 H27 120.4 . . ?
C28 C27 C26 119.3(14) . . ?
C28 C27 H27 120.4 . . ?
C27 C28 F5 118.1(12) . . ?
C29 C28 C27 122.0(13) . . ?
C29 C28 F5 119.9(12) . . ?
C28 C29 H29 119.8 . . ?
C28 C29 C30 120.3(14) . . ?
C30 C29 H29 119.8 . . ?
C25 C30 H30 120.6 . . ?
C29 C30 C25 118.7(13) . . ?
C29 C30 H30 120.6 . . ?
C32 C31 P2 119.0(9) . . ?
C36 C31 C32 118.0(12) . . ?
C36 C31 P2 123.0(10) . . ?
C31 C32 H32 119.4 . . ?
C31 C32 C33 121.3(12) . . ?
C33 C32 H32 119.4 . . ?
C32 C33 H33 121.7 . . ?
C34 C33 C32 116.7(13) . . ?
C34 C33 H33 121.7 . . ?
C33 C34 C35 125.3(15) . . ?
C33 C34 F6 117.5(13) . . ?
C35 C34 F6 117.2(14) . . ?
C34 C35 H35 121.5 . . ?
C34 C35 C36 117.0(14) . . ?
C36 C35 H35 121.5 . . ?
C31 C36 C35 121.8(13) . . ?
C31 C36 H36 119.1 . . ?
C35 C36 H36 119.1 . . ?
C38 C37 C42 118.8(13) . . ?
C38 C37 P3 121.5(10) . . ?
C42 C37 P3 119.7(10) . . ?
C37 C38 H38 118.4 . . ?
C37 C38 C39 123.3(14) . . ?
C39 C38 H38 118.4 . . ?
C38 C39 H39 121.6 . . ?
C40 C39 C38 116.8(16) . . ?
C40 C39 H39 121.6 . . ?
C41 C40 C39 121.6(15) . . ?
F7 C40 C39 119.2(16) . . ?
F7 C40 C41 119.1(15) . . ?
C40 C41 H41 120.6 . . ?
C40 C41 C42 118.8(15) . . ?
C42 C41 H41 120.6 . . ?
C37 C42 C41 120.6(14) . . ?
C37 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
C44 C43 P3 119.9(9) . . ?
C48 C43 C44 119.6(12) . . ?
C48 C43 P3 120.5(11) . . ?
C43 C44 H44 120.4 . . ?
C45 C44 C43 119.2(14) . . ?
C45 C44 H44 120.4 . . ?
C44 C45 H45 120.5 . . ?
C46 C45 C44 119.0(16) . . ?
C46 C45 H45 120.5 . . ?
C45 C46 C47 124.3(16) . . ?
C45 C46 F8 119.2(17) . . ?
C47 C46 F8 116.4(15) . . ?
C46 C47 H47 121.7 . . ?
C46 C47 C48 116.5(15) . . ?
C48 C47 H47 121.7 . . ?
C43 C48 C47 121.1(15) . . ?
C43 C48 H48 119.4 . . ?
C47 C48 H48 119.4 . . ?
C50 C49 C54 116.3(11) . . ?
C50 C49 P3 120.0(8) . . ?
C54 C49 P3 123.7(9) . . ?
C49 C50 H50 117.9 . . ?
C51 C50 C49 124.3(11) . . ?
C51 C50 H50 117.9 . . ?
C50 C51 H51 121.8 . . ?
C50 C51 C52 116.3(11) . . ?
C52 C51 H51 121.8 . . ?
C51 C52 F9 118.1(11) . . ?
C53 C52 C51 123.4(13) . . ?
C53 C52 F9 118.3(12) . . ?
C52 C53 H53 120.1 . . ?
C52 C53 C54 119.7(13) . . ?
C54 C53 H53 120.1 . . ?
C49 C54 H54 120.1 . . ?
C53 C54 C49 119.7(12) . . ?
C53 C54 H54 120.1 . . ?
C56 C55 S1 120.1(8) . . ?
C60 C55 C56 121.0(11) . . ?
C60 C55 S1 118.9(9) . . ?
C55 C56 H56 120.2 . . ?
C55 C56 C57 119.5(11) . . ?
C57 C56 H56 120.2 . . ?
C56 C57 H57 120.9 . . ?
C56 C57 C58 118.2(12) . . ?
C58 C57 H57 120.9 . . ?
C57 C58 Cl1 118.1(11) . . ?
C59 C58 C57 120.6(12) . . ?
C59 C58 Cl1 121.1(10) . . ?
C58 C59 H59 119.4 . . ?
C58 C59 C60 121.1(13) . . ?
C60 C59 H59 119.4 . . ?
C55 C60 H60 120.3 . . ?
C59 C60 C55 119.4(12) . . ?
C59 C60 H60 120.3 . . ?
C62 C61 S2 122.8(9) . . ?
C66 C61 C62 121.1(11) . . ?
C66 C61 S2 116.1(10) . . ?
C61 C62 H62 119.8 . . ?
C63 C62 C61 120.3(12) . . ?
C63 C62 H62 119.8 . . ?
C62 C63 H63 120.1 . . ?
C62 C63 C64 119.8(13) . . ?
C64 C63 H63 120.1 . . ?
C63 C64 C65 120.0(13) . . ?
C63 C64 Cl2 121.1(12) . . ?
C65 C64 Cl2 119.0(11) . . ?
C64 C65 H65 119.9 . . ?
C64 C65 C66 120.3(13) . . ?
C66 C65 H65 119.9 . . ?
C61 C66 C65 118.5(13) . . ?
C61 C66 H66 120.8 . . ?
C65 C66 H66 120.8 . . ?
C68 C67 S3 122.1(9) . . ?
C72 C67 C68 119.8(11) . . ?
C72 C67 S3 118.1(9) . . ?
C67 C68 H68 120.3 . . ?
C69 C68 C67 119.5(11) . . ?
C69 C68 H68 120.3 . . ?
C68 C69 H69 119.3 . . ?
C70 C69 C68 121.4(13) . . ?
C70 C69 H69 119.3 . . ?
C69 C70 C71 120.8(13) . . ?
C69 C70 Cl3 121.4(12) . . ?
C71 C70 Cl3 117.8(11) . . ?
C70 C71 H71 120.5 . . ?
C70 C71 C72 119.1(13) . . ?
C72 C71 H71 120.5 . . ?
C67 C72 C71 119.4(12) . . ?
C67 C72 H72 120.3 . . ?
C71 C72 H72 120.3 . . ?
Pd2 Ag1 Pd1 62.46(3) . . ?
Pd2 Ag1 Pd3 61.78(3) . . ?
Pd3 Ag1 Pd1 61.66(3) . . ?
O1 Ag1 Pd1 147.7(3) . . ?
O1 Ag1 Pd2 121.0(3) . . ?
O1 Ag1 Pd3 90.7(3) . . ?
O2 Ag1 Pd1 111.0(3) . . ?
O2 Ag1 Pd2 99.4(3) . . ?
O2 Ag1 Pd3 161.2(3) . . ?
O2 Ag1 O1 100.3(5) . . ?
F10 B1 F11 111.1(15) . . ?
F10 B1 F12 104.3(15) . . ?
F11 B1 F12 104.7(16) . . ?
F13 B1 F10 113.4(17) . . ?
F13 B1 F11 114.6(16) . . ?
F13 B1 F12 107.7(14) . . ?
C1 P1 C13 106.1(6) . . ?
C1 P1 Pd1 115.0(4) . . ?
C7 P1 C1 104.2(6) . . ?
C7 P1 C13 103.6(6) . . ?
C7 P1 Pd1 117.0(4) . . ?
C13 P1 Pd1 109.8(4) . . ?
C19 P2 C25 105.5(5) . . ?
C19 P2 C31 104.5(5) . . ?
C19 P2 Pd2 113.8(3) . . ?
C25 P2 Pd2 112.5(4) . . ?
C31 P2 C25 105.8(6) . . ?
C31 P2 Pd2 113.9(4) . . ?
C37 P3 C43 103.6(6) . . ?
C37 P3 Pd3 117.5(4) . . ?
C43 P3 Pd3 113.6(4) . . ?
C49 P3 C37 104.6(6) . . ?
C49 P3 C43 105.7(5) . . ?
C49 P3 Pd3 110.7(4) . . ?
Ag1 Pd1 Pd2 58.34(3) . . ?
Ag1 Pd1 Pd3 58.93(3) . . ?
P1 Pd1 Ag1 132.70(9) . . ?
P1 Pd1 Pd2 149.21(8) . . ?
P1 Pd1 Pd3 150.24(8) . . ?
Pd3 Pd1 Pd2 59.50(3) . . ?
S1 Pd1 Ag1 82.78(8) . . ?
S1 Pd1 P1 99.46(11) . . ?
S1 Pd1 Pd2 50.32(8) . . ?
S1 Pd1 Pd3 109.81(8) . . ?
S1 Pd1 S2 160.83(11) . . ?
S2 Pd1 Ag1 84.55(8) . . ?
S2 Pd1 P1 99.71(11) . . ?
S2 Pd1 Pd2 110.57(8) . . ?
S2 Pd1 Pd3 51.08(8) . . ?
Ag1 Pd2 Pd1 59.21(3) . . ?
Ag1 Pd2 Pd3 59.31(3) . . ?
P2 Pd2 Ag1 130.08(8) . . ?
P2 Pd2 Pd1 146.71(9) . . ?
P2 Pd2 Pd3 153.03(9) . . ?
Pd3 Pd2 Pd1 59.77(3) . . ?
S1 Pd2 Ag1 83.52(8) . . ?
S1 Pd2 P2 96.41(11) . . ?
S1 Pd2 Pd1 50.57(7) . . ?
S1 Pd2 Pd3 110.34(8) . . ?
S1 Pd2 S3 160.42(11) . . ?
S3 Pd2 Ag1 80.74(8) . . ?
S3 Pd2 P2 102.62(11) . . ?
S3 Pd2 Pd1 110.65(8) . . ?
S3 Pd2 Pd3 51.13(7) . . ?
Ag1 Pd3 Pd1 59.41(3) . . ?
Ag1 Pd3 Pd2 58.91(3) . . ?
P3 Pd3 Ag1 128.41(8) . . ?
P3 Pd3 Pd1 149.01(8) . . ?
P3 Pd3 Pd2 150.15(9) . . ?
Pd2 Pd3 Pd1 60.73(3) . . ?
S2 Pd3 Ag1 84.84(8) . . ?
S2 Pd3 P3 98.08(11) . . ?
S2 Pd3 Pd1 51.01(7) . . ?
S2 Pd3 Pd2 111.73(8) . . ?
S3 Pd3 Ag1 80.55(8) . . ?
S3 Pd3 P3 99.25(11) . . ?
S3 Pd3 Pd1 111.73(8) . . ?
S3 Pd3 Pd2 51.25(7) . . ?
S3 Pd3 S2 161.98(11) . . ?
C55 S1 Pd1 107.5(4) . . ?
C55 S1 Pd2 108.7(4) . . ?
Pd2 S1 Pd1 79.11(9) . . ?
C61 S2 Pd1 107.6(4) . . ?
C61 S2 Pd3 113.6(4) . . ?
Pd1 S2 Pd3 77.92(9) . . ?
C67 S3 Pd2 112.1(4) . . ?
C67 S3 Pd3 109.9(4) . . ?
Pd3 S3 Pd2 77.62(9) . . ?
F14 B2 F15 108.1(19) . . ?
F14 B2 F16 115(2) . . ?
F14 B2 F17 115(2) . . ?
F16 B2 F15 103.9(18) . . ?
F17 B2 F15 101.1(19) . . ?
F17 B2 F16 111(2) . . ?
Ag1 O1 H1A 111.9 . . ?
Ag1 O1 H1B 113.2 . . ?
H1A O1 H1B 105.8 . . ?
Cl6 C73 H73 107.8 . . ?
Cl5 C73 Cl6 111.2 . . ?
Cl5 C73 Cl4 111.1 . . ?
Cl5 C73 H73 107.8 . . ?
Cl4 C73 Cl6 111.1 . . ?
Cl4 C73 H73 107.8 . . ?
Ag1 O2 H2A 109.2 . . ?
Ag1 O2 H2B 109.3 . . ?
H2A O2 H2B 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 2(2) . . . . ?
C2 C1 C6 C5 7.1(19) . . . . ?
C2 C1 P1 C7 50.8(11) . . . . ?
C2 C1 P1 C13 -58.3(11) . . . . ?
C2 C1 P1 Pd1 -179.9(9) . . . . ?
C2 C3 C4 C5 3(2) . . . . ?
C2 C3 C4 F1 -177.9(13) . . . . ?
C3 C4 C5 C6 -2(2) . . . . ?
C4 C5 C6 C1 -3(2) . . . . ?
C6 C1 C2 C3 -6(2) . . . . ?
C6 C1 P1 C7 -122.8(11) . . . . ?
C6 C1 P1 C13 128.1(11) . . . . ?
C6 C1 P1 Pd1 6.5(12) . . . . ?
C7 C8 C9 C10 1(2) . . . . ?
C8 C7 C12 C11 2.6(17) . . . . ?
C8 C7 P1 C1 84.7(10) . . . . ?
C8 C7 P1 C13 -164.5(10) . . . . ?
C8 C7 P1 Pd1 -43.5(11) . . . . ?
C8 C9 C10 C11 -2(2) . . . . ?
C8 C9 C10 F2 179.3(12) . . . . ?
C9 C10 C11 C12 3(2) . . . . ?
C10 C11 C12 C7 -3(2) . . . . ?
C12 C7 C8 C9 -1.7(18) . . . . ?
C12 C7 P1 C1 -89.0(11) . . . . ?
C12 C7 P1 C13 21.8(11) . . . . ?
C12 C7 P1 Pd1 142.8(9) . . . . ?
C13 C14 C15 C16 7(2) . . . . ?
C14 C13 C18 C17 1(2) . . . . ?
C14 C13 P1 C1 168.5(11) . . . . ?
C14 C13 P1 C7 59.1(11) . . . . ?
C14 C13 P1 Pd1 -66.6(11) . . . . ?
C14 C15 C16 C17 -8(2) . . . . ?
C14 C15 C16 F3 180.0(12) . . . . ?
C15 C16 C17 C18 5(2) . . . . ?
C16 C17 C18 C13 -1(2) . . . . ?
C18 C13 C14 C15 -4(2) . . . . ?
C18 C13 P1 C1 -12.0(13) . . . . ?
C18 C13 P1 C7 -121.4(11) . . . . ?
C18 C13 P1 Pd1 112.8(11) . . . . ?
C19 C20 C21 C22 2(2) . . . . ?
C20 C19 C24 C23 0.9(16) . . . . ?
C20 C19 P2 C25 -59.3(10) . . . . ?
C20 C19 P2 C31 -170.6(9) . . . . ?
C20 C19 P2 Pd2 64.5(9) . . . . ?
C20 C21 C22 C23 0(2) . . . . ?
C20 C21 C22 F4 176.6(12) . . . . ?
C21 C22 C23 C24 -1(2) . . . . ?
C22 C23 C24 C19 0.4(19) . . . . ?
C24 C19 C20 C21 -2.0(17) . . . . ?
C24 C19 P2 C25 123.9(9) . . . . ?
C24 C19 P2 C31 12.6(10) . . . . ?
C24 C19 P2 Pd2 -112.2(8) . . . . ?
C25 C26 C27 C28 -1(2) . . . . ?
C26 C25 C30 C29 -1(2) . . . . ?
C26 C25 P2 C19 172.6(11) . . . . ?
C26 C25 P2 C31 -77.0(12) . . . . ?
C26 C25 P2 Pd2 48.0(12) . . . . ?
C26 C27 C28 C29 -2(2) . . . . ?
C26 C27 C28 F5 178.8(13) . . . . ?
C27 C28 C29 C30 4(2) . . . . ?
C28 C29 C30 C25 -2(2) . . . . ?
C30 C25 C26 C27 3(2) . . . . ?
C30 C25 P2 C19 -11.0(12) . . . . ?
C30 C25 P2 C31 99.4(11) . . . . ?
C30 C25 P2 Pd2 -135.6(10) . . . . ?
C31 C32 C33 C34 0.8(18) . . . . ?
C32 C31 C36 C35 1.2(18) . . . . ?
C32 C31 P2 C19 -93.3(10) . . . . ?
C32 C31 P2 C25 155.7(9) . . . . ?
C32 C31 P2 Pd2 31.5(11) . . . . ?
C32 C33 C34 C35 0(2) . . . . ?
C32 C33 C34 F6 179.0(11) . . . . ?
C33 C34 C35 C36 -1(2) . . . . ?
C34 C35 C36 C31 0(2) . . . . ?
C36 C31 C32 C33 -1.5(18) . . . . ?
C36 C31 P2 C19 86.4(11) . . . . ?
C36 C31 P2 C25 -24.6(12) . . . . ?
C36 C31 P2 Pd2 -148.8(9) . . . . ?
C37 C38 C39 C40 -4(2) . . . . ?
C38 C37 C42 C41 0.4(19) . . . . ?
C38 C37 P3 C43 121.8(10) . . . . ?
C38 C37 P3 C49 11.2(11) . . . . ?
C38 C37 P3 Pd3 -112.0(10) . . . . ?
C38 C39 C40 C41 5(2) . . . . ?
C38 C39 C40 F7 -178.4(13) . . . . ?
C39 C40 C41 C42 -3(2) . . . . ?
C40 C41 C42 C37 1(2) . . . . ?
C42 C37 C38 C39 1(2) . . . . ?
C42 C37 P3 C43 -59.8(10) . . . . ?
C42 C37 P3 C49 -170.4(9) . . . . ?
C42 C37 P3 Pd3 66.4(10) . . . . ?
C43 C44 C45 C46 -2(2) . . . . ?
C44 C43 C48 C47 5.1(19) . . . . ?
C44 C43 P3 C37 152.4(10) . . . . ?
C44 C43 P3 C49 -97.8(10) . . . . ?
C44 C43 P3 Pd3 23.8(11) . . . . ?
C44 C45 C46 C47 5(3) . . . . ?
C44 C45 C46 F8 -177.2(13) . . . . ?
C45 C46 C47 C48 -3(3) . . . . ?
C46 C47 C48 C43 -2(2) . . . . ?
C48 C43 C44 C45 -3.2(19) . . . . ?
C48 C43 P3 C37 -26.0(11) . . . . ?
C48 C43 P3 C49 83.8(10) . . . . ?
C48 C43 P3 Pd3 -154.6(8) . . . . ?
C49 C50 C51 C52 3(2) . . . . ?
C50 C49 C54 C53 3(2) . . . . ?
C50 C49 P3 C37 -79.5(10) . . . . ?
C50 C49 P3 C43 171.5(10) . . . . ?
C50 C49 P3 Pd3 48.1(10) . . . . ?
C50 C51 C52 C53 -3(2) . . . . ?
C50 C51 C52 F9 -178.6(12) . . . . ?
C51 C52 C53 C54 4(3) . . . . ?
C52 C53 C54 C49 -4(3) . . . . ?
C54 C49 C50 C51 -2.7(19) . . . . ?
C54 C49 P3 C37 101.1(12) . . . . ?
C54 C49 P3 C43 -7.9(13) . . . . ?
C54 C49 P3 Pd3 -131.4(11) . . . . ?
C55 C56 C57 C58 -0.8(18) . . . . ?
C56 C55 C60 C59 -0.7(17) . . . . ?
C56 C55 S1 Pd1 -54.4(9) . . . . ?
C56 C55 S1 Pd2 29.7(10) . . . . ?
C56 C57 C58 C59 -2.2(19) . . . . ?
C56 C57 C58 Cl1 -178.7(9) . . . . ?
C57 C58 C59 C60 4(2) . . . . ?
C58 C59 C60 C55 -2.4(19) . . . . ?
C60 C55 C56 C57 2.3(17) . . . . ?
C60 C55 S1 Pd1 123.0(8) . . . . ?
C60 C55 S1 Pd2 -152.9(8) . . . . ?
C61 C62 C63 C64 -1.2(18) . . . . ?
C62 C61 C66 C65 -1.3(19) . . . . ?
C62 C61 S2 Pd1 38.3(11) . . . . ?
C62 C61 S2 Pd3 -45.9(11) . . . . ?
C62 C63 C64 C65 -2(2) . . . . ?
C62 C63 C64 Cl2 177.2(9) . . . . ?
C63 C64 C65 C66 3(2) . . . . ?
C64 C65 C66 C61 -2(2) . . . . ?
C66 C61 C62 C63 2.8(18) . . . . ?
C66 C61 S2 Pd1 -141.9(9) . . . . ?
C66 C61 S2 Pd3 133.9(9) . . . . ?
C67 C68 C69 C70 0.0(18) . . . . ?
C68 C67 C72 C71 0.1(17) . . . . ?
C68 C67 S3 Pd2 -54.9(9) . . . . ?
C68 C67 S3 Pd3 29.4(9) . . . . ?
C68 C69 C70 C71 -1(2) . . . . ?
C68 C69 C70 Cl3 -177.6(10) . . . . ?
C69 C70 C71 C72 1(2) . . . . ?
C70 C71 C72 C67 -1(2) . . . . ?
C72 C67 C68 C69 0.4(16) . . . . ?
C72 C67 S3 Pd2 124.8(8) . . . . ?
C72 C67 S3 Pd3 -150.9(8) . . . . ?
Cl1 C58 C59 C60 -179.7(10) . . . . ?
Cl2 C64 C65 C66 -175.8(11) . . . . ?
Cl3 C70 C71 C72 178.2(10) . . . . ?
F1 C4 C5 C6 178.4(12) . . . . ?
F2 C10 C11 C12 -178.5(12) . . . . ?
F3 C16 C17 C18 177.0(11) . . . . ?
F4 C22 C23 C24 -177.6(12) . . . . ?
F5 C28 C29 C30 -177.1(13) . . . . ?
F6 C34 C35 C36 -179.3(12) . . . . ?
F7 C40 C41 C42 179.9(12) . . . . ?
F8 C46 C47 C48 179.0(13) . . . . ?
F9 C52 C53 C54 179.4(16) . . . . ?
P1 C1 C2 C3 179.6(11) . . . . ?
P1 C1 C6 C5 -179.3(10) . . . . ?
P1 C7 C8 C9 -175.9(11) . . . . ?
P1 C7 C12 C11 176.5(10) . . . . ?
P1 C13 C14 C15 175.1(10) . . . . ?
P1 C13 C18 C17 -178.0(10) . . . . ?
P2 C19 C20 C21 -179.0(10) . . . . ?
P2 C19 C24 C23 177.8(9) . . . . ?
P2 C25 C26 C27 179.5(11) . . . . ?
P2 C25 C30 C29 -177.8(11) . . . . ?
P2 C31 C32 C33 178.2(9) . . . . ?
P2 C31 C36 C35 -178.5(10) . . . . ?
P3 C37 C38 C39 179.8(11) . . . . ?
P3 C37 C42 C41 -178.1(10) . . . . ?
P3 C43 C44 C45 178.4(11) . . . . ?
P3 C43 C48 C47 -176.5(10) . . . . ?
P3 C49 C50 C51 177.8(10) . . . . ?
P3 C49 C54 C53 -177.3(13) . . . . ?
S1 C55 C56 C57 179.6(9) . . . . ?
S1 C55 C60 C59 -178.0(9) . . . . ?
S2 C61 C62 C63 -177.5(9) . . . . ?
S2 C61 C66 C65 178.9(10) . . . . ?
S3 C67 C68 C69 -179.9(9) . . . . ?
S3 C67 C72 C71 -179.5(10) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.378 0.250 0.263 1339 459 ' '
2 0.875 -0.250 0.237 1339 460 ' '
3 0.120 0.250 0.763 1339 458 ' '
4 0.620 -0.250 0.737 1339 460 ' '

