#------------------------------------------------------------------------------
#$Date: 2017-03-05 07:12:29 +0200 (Sun, 05 Mar 2017) $
#$Revision: 193812 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/16/7041615.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7041615
loop_
_publ_author_name
'Wang, Yu-Ting'
'Gao, Bin-Bin'
'Wang, Fan'
'Liu, Shi-Yuan'
'Yu, Hong'
'Zhang, Wen-Hua'
'Lang, Jian-Ping'
_publ_section_title
;
 Palladium(ii) and palladium(ii)-silver(i) complexes with N-heterocyclic
 carbene and zwitterionic thiolate mixed ligands: synthesis, structural
 characterization and catalytic properties.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1832
_journal_page_last               1839
_journal_paper_doi               10.1039/c6dt04599e
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C130 H194 Ag4 N26 Pd4 S10, 12(F6 P)'
_chemical_formula_sum            'C130 H194 Ag4 F72 N26 P12 Pd4 S10'
_chemical_formula_weight         5038.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-12-29 deposited with the CCDC.
2017-01-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.292(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   39.487(9)
_cell_length_b                   18.813(4)
_cell_length_c                   29.645(6)
_cell_measurement_reflns_used    9903
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      22.26
_cell_measurement_theta_min      2.79
_cell_volume                     19911(7)
_computing_cell_refinement       'Bruker D8 Quest'
_computing_data_collection       'Bruker D8 Quest'
_computing_data_reduction        'Bruker D8 Quest'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0961
_diffrn_reflns_av_unetI/netI     0.0558
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            233883
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         2.794
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.056
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_correction_T_min  0.859
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick, 2008'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_description       prism
_exptl_crystal_F_000             10064
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.839
_refine_diff_density_min         -1.371
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1231
_refine_ls_number_reflns         24655
_refine_ls_number_restraints     333
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.1205
_refine_ls_R_factor_gt           0.0607
_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)+(0.0636P)²+150.0116P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1389
_refine_ls_wR_factor_ref         0.1766
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14991
_reflns_number_total             24655
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04599e2.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 7041612--7041617.cif.'
_cod_database_code               7041615
_publcif_datablock.id            {b219c34e-1342-4631-8759-91c1b63c5c5b}
_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.
;
_shelx_estimated_absorpt_t_min   0.817
_shelx_estimated_absorpt_t_max   0.920
_shelxl_version_number           2013-2
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Ag1 Ag 0.64749(2) 0.68930(3) 0.46144(2) 0.05034(13) Uani 1 1 d . . . . .
Ag2 Ag 0.74762(2) 0.68217(3) 0.52510(2) 0.04538(13) Uani 1 1 d . . . . .
Pd1 Pd 0.56244(2) 0.62848(2) 0.41811(2) 0.03785(11) Uani 1 1 d . . . . .
Pd2 Pd 0.79653(2) 0.77996(2) 0.62887(2) 0.03421(11) Uani 1 1 d . . . . .
S1 S 0.60392(5) 0.63210(8) 0.37971(6) 0.0466(4) Uani 1 1 d . . . . .
S2 S 0.58076(4) 0.74841(8) 0.44226(6) 0.0428(3) Uani 1 1 d . . . . .
S3 S 0.69403(4) 0.66606(8) 0.54702(6) 0.0430(3) Uani 1 1 d . . . . .
S4 S 0.81451(4) 0.71960(7) 0.57267(5) 0.0358(3) Uani 1 1 d . . . . .
S5 S 0.76942(4) 0.86378(8) 0.56332(6) 0.0403(3) Uani 1 1 d . . . . .
N1 N 0.5142(6) 0.6189(15) 0.4755(10) 0.076(3) Uani 0.46(2) 1 d D U P A 1
N2 N 0.4899(6) 0.6839(13) 0.4126(9) 0.076(3) Uani 0.46(2) 1 d D U P A 1
C1 C 0.5205(7) 0.643(2) 0.4371(12) 0.076(3) Uani 0.46(2) 1 d D U P A 1
C2 C 0.4835(7) 0.6406(16) 0.4788(10) 0.076(3) Uani 0.46(2) 1 d D U P A 1
H2 H 0.4751 0.6300 0.5037 0.091 Uiso 0.46(2) 1 calc R U P A 1
C3 C 0.4667(5) 0.6822(13) 0.4369(9) 0.076(3) Uani 0.46(2) 1 d D U P A 1
H3 H 0.4433 0.7057 0.4265 0.091 Uiso 0.46(2) 1 calc R U P A 1
C4 C 0.5416(7) 0.5739(16) 0.5143(11) 0.076(3) Uani 0.46(2) 1 d D U P A 1
H4A H 0.5363 0.5238 0.5047 0.114 Uiso 0.46(2) 1 calc R U P A 1
H4B H 0.5398 0.5819 0.5459 0.114 Uiso 0.46(2) 1 calc R U P A 1
H4C H 0.5669 0.5858 0.5184 0.114 Uiso 0.46(2) 1 calc R U P A 1
C5 C 0.4832(6) 0.7246(13) 0.3686(8) 0.076(3) Uani 0.46(2) 1 d D U P A 1
H5A H 0.4974 0.7041 0.3516 0.114 Uiso 0.46(2) 1 calc R U P A 1
H5B H 0.4912 0.7738 0.3780 0.114 Uiso 0.46(2) 1 calc R U P A 1
H5C H 0.4564 0.7236 0.3462 0.114 Uiso 0.46(2) 1 calc R U P A 1
N1A N 0.5252(5) 0.6037(10) 0.4890(6) 0.067(4) Uani 0.54(2) 1 d D U P A 2
N2A N 0.4894(4) 0.6620(11) 0.4252(7) 0.074(4) Uani 0.54(2) 1 d D U P A 2
C1A C 0.5236(5) 0.6310(12) 0.4461(7) 0.051(3) Uani 0.54(2) 1 d D U P A 2
C2A C 0.4956(6) 0.6165(13) 0.4977(9) 0.086(5) Uani 0.54(2) 1 d D U P A 2
H2A H 0.4914 0.6015 0.5255 0.103 Uiso 0.54(2) 1 calc R U P A 2
C3A C 0.4723(5) 0.6563(15) 0.4575(10) 0.093(6) Uani 0.54(2) 1 d D U P A 2
H3A H 0.4489 0.6761 0.4526 0.111 Uiso 0.54(2) 1 calc R U P A 2
C4A C 0.5587(8) 0.5662(12) 0.5249(8) 0.092(6) Uani 0.54(2) 1 d D U P A 2
H4A1 H 0.5631 0.5794 0.5589 0.138 Uiso 0.54(2) 1 calc R U P A 2
H4A2 H 0.5805 0.5795 0.5190 0.138 Uiso 0.54(2) 1 calc R U P A 2
H4A3 H 0.5547 0.5148 0.5205 0.138 Uiso 0.54(2) 1 calc R U P A 2
C5A C 0.4744(5) 0.6984(12) 0.3782(8) 0.093(6) Uani 0.54(2) 1 d D U P A 2
H5A1 H 0.4649 0.7450 0.3820 0.140 Uiso 0.54(2) 1 calc R U P A 2
H5A2 H 0.4539 0.6703 0.3536 0.140 Uiso 0.54(2) 1 calc R U P A 2
H5A3 H 0.4941 0.7047 0.3668 0.140 Uiso 0.54(2) 1 calc R U P A 2
N3 N 0.52351(16) 0.5027(3) 0.3550(2) 0.0543(14) Uani 1 1 d . . . . .
N4 N 0.56743(18) 0.4671(3) 0.4228(2) 0.0612(16) Uani 1 1 d . . . . .
N5 N 0.64759(17) 0.3364(3) 0.3438(2) 0.0585(15) Uani 1 1 d . . . . .
N6 N 0.55105(17) 0.7738(3) 0.6260(2) 0.0579(15) Uani 1 1 d . . . . .
N7 N 0.6931(3) 0.3624(4) 0.6125(3) 0.1015(16) Uani 1 1 d . . . . .
N8 N 0.91955(18) 0.4721(3) 0.6648(3) 0.071(2) Uani 1 1 d . . . . .
N9 N 0.6290(2) 0.9820(4) 0.5694(4) 0.0992(16) Uani 1 1 d . . . . .
N10 N 0.74861(15) 0.8201(3) 0.6816(2) 0.0502(13) Uani 1 1 d . . . . .
N11 N 0.78840(17) 0.9018(3) 0.6899(2) 0.0548(14) Uani 1 1 d . . . . .
N12 N 0.81642(15) 0.6459(3) 0.69312(19) 0.0457(12) Uani 1 1 d . . . . .
N13 N 0.85714(16) 0.7279(3) 0.7255(2) 0.0570(15) Uani 1 1 d . . . . .
C6 C 0.54975(17) 0.5263(3) 0.3980(2) 0.0452(14) Uani 1 1 d . . . . .
C7 C 0.5245(3) 0.4297(4) 0.3525(4) 0.075(2) Uani 1 1 d . . . . .
H7 H 0.5085 0.4006 0.3257 0.090 Uiso 1 1 calc R U . . .
C8 C 0.5521(3) 0.4077(4) 0.3947(4) 0.080(3) Uani 1 1 d . . . . .
H8 H 0.5598 0.3599 0.4037 0.097 Uiso 1 1 calc R U . . .
C9 C 0.4990(2) 0.5473(5) 0.3160(3) 0.075(2) Uani 1 1 d . . . . .
H9A H 0.4822 0.5726 0.3273 0.112 Uiso 1 1 calc R U . . .
H9B H 0.4840 0.5183 0.2868 0.112 Uiso 1 1 calc R U . . .
H9C H 0.5137 0.5819 0.3071 0.112 Uiso 1 1 calc R U . . .
C10 C 0.5996(3) 0.4663(5) 0.4717(4) 0.090(3) Uani 1 1 d . . . . .
H10A H 0.6097 0.5145 0.4803 0.136 Uiso 1 1 calc R U . . .
H10B H 0.6190 0.4347 0.4706 0.136 Uiso 1 1 calc R U . . .
H10C H 0.5917 0.4492 0.4969 0.136 Uiso 1 1 calc R U . . .
C11 C 0.61713(17) 0.5453(3) 0.3709(2) 0.0422(14) Uani 1 1 d . . . . .
C12 C 0.59684(19) 0.5103(3) 0.3266(2) 0.0501(16) Uani 1 1 d . . . . .
H12 H 0.5757 0.5329 0.3015 0.060 Uiso 1 1 calc R U . . .
C13 C 0.60668(19) 0.4430(4) 0.3180(3) 0.0550(17) Uani 1 1 d . . . . .
H13 H 0.5922 0.4196 0.2873 0.066 Uiso 1 1 calc R U . . .
C14 C 0.63731(18) 0.4099(3) 0.3538(3) 0.0494(16) Uani 1 1 d . . . . .
C15 C 0.6582(2) 0.4435(4) 0.3980(3) 0.0599(18) Uani 1 1 d . . . . .
H15 H 0.6796 0.4207 0.4226 0.072 Uiso 1 1 calc R U . . .
C16 C 0.64812(19) 0.5112(4) 0.4067(3) 0.0523(16) Uani 1 1 d . . . . .
H16 H 0.6626 0.5343 0.4375 0.063 Uiso 1 1 calc R U . . .
C17 C 0.6853(5) 0.3151(8) 0.3783(7) 0.097(3) Uani 0.641(9) 1 d . . P B 1
H17A H 0.6866 0.3103 0.4119 0.146 Uiso 0.641(9) 1 calc R U P B 1
H17B H 0.7033 0.3512 0.3785 0.146 Uiso 0.641(9) 1 calc R U P B 1
H17C H 0.6914 0.2694 0.3677 0.146 Uiso 0.641(9) 1 calc R U P B 1
C18 C 0.6524(5) 0.3373(7) 0.2949(7) 0.097(3) Uani 0.641(9) 1 d . . P B 1
H18A H 0.6603 0.2902 0.2891 0.146 Uiso 0.641(9) 1 calc R U P B 1
H18B H 0.6714 0.3725 0.2975 0.146 Uiso 0.641(9) 1 calc R U P B 1
H18C H 0.6285 0.3498 0.2671 0.146 Uiso 0.641(9) 1 calc R U P B 1
C19 C 0.6186(5) 0.2855(7) 0.3384(8) 0.097(3) Uani 0.641(9) 1 d . . P B 1
H19A H 0.6244 0.2397 0.3277 0.146 Uiso 0.641(9) 1 calc R U P B 1
H19B H 0.5944 0.3028 0.3134 0.146 Uiso 0.641(9) 1 calc R U P B 1
H19C H 0.6173 0.2797 0.3705 0.146 Uiso 0.641(9) 1 calc R U P B 1
C17A C 0.6846(9) 0.3382(14) 0.3431(14) 0.097(3) Uani 0.359(9) 1 d . . P B 2
H17D H 0.6841 0.3721 0.3178 0.146 Uiso 0.359(9) 1 calc R U P B 2
H17E H 0.6907 0.2908 0.3351 0.146 Uiso 0.359(9) 1 calc R U P B 2
H17F H 0.7035 0.3528 0.3759 0.146 Uiso 0.359(9) 1 calc R U P B 2
C18A C 0.6176(9) 0.3055(13) 0.2940(13) 0.097(3) Uani 0.359(9) 1 d . . P B 2
H18D H 0.6189 0.3306 0.2658 0.146 Uiso 0.359(9) 1 calc R U P B 2
H18E H 0.5927 0.3118 0.2929 0.146 Uiso 0.359(9) 1 calc R U P B 2
H18F H 0.6224 0.2548 0.2920 0.146 Uiso 0.359(9) 1 calc R U P B 2
C19A C 0.6442(10) 0.2846(13) 0.3805(13) 0.097(3) Uani 0.359(9) 1 d . . P B 2
H19D H 0.6446 0.2359 0.3690 0.146 Uiso 0.359(9) 1 calc R U P B 2
H19E H 0.6206 0.2929 0.3831 0.146 Uiso 0.359(9) 1 calc R U P B 2
H19F H 0.6653 0.2913 0.4133 0.146 Uiso 0.359(9) 1 calc R U P B 2
C20 C 0.57389(16) 0.7593(3) 0.4976(2) 0.0387(13) Uani 1 1 d . . . . .
C21 C 0.59876(17) 0.7327(3) 0.5433(2) 0.0434(14) Uani 1 1 d . . . . .
H21 H 0.6210 0.7098 0.5461 0.052 Uiso 1 1 calc R U . . .
C22 C 0.59186(19) 0.7387(4) 0.5849(3) 0.0531(16) Uani 1 1 d . . . . .
H22 H 0.6092 0.7200 0.6159 0.064 Uiso 1 1 calc R U . . .
C23 C 0.55977(18) 0.7721(3) 0.5813(2) 0.0455(15) Uani 1 1 d . . . . .
C24 C 0.5353(2) 0.8013(4) 0.5368(3) 0.0556(17) Uani 1 1 d . . . . .
H24 H 0.5135 0.8254 0.5346 0.067 Uiso 1 1 calc R U . . .
C25 C 0.54242(19) 0.7955(4) 0.4952(3) 0.0510(16) Uani 1 1 d . . . . .
H25 H 0.5257 0.8165 0.4646 0.061 Uiso 1 1 calc R U . . .
C26 C 0.5408(7) 0.8409(8) 0.6352(8) 0.084(7) Uani 0.59(2) 1 d . U P C 1
H26A H 0.5604 0.8751 0.6386 0.126 Uiso 0.59(2) 1 calc R U P C 1
H26B H 0.5375 0.8399 0.6661 0.126 Uiso 0.59(2) 1 calc R U P C 1
H26C H 0.5172 0.8550 0.6074 0.126 Uiso 0.59(2) 1 calc R U P C 1
C27 C 0.5838(5) 0.7461(12) 0.6745(6) 0.089(6) Uani 0.59(2) 1 d . U P C 1
H27A H 0.6063 0.7744 0.6815 0.133 Uiso 0.59(2) 1 calc R U P C 1
H27B H 0.5888 0.6962 0.6702 0.133 Uiso 0.59(2) 1 calc R U P C 1
H27C H 0.5769 0.7504 0.7025 0.133 Uiso 0.59(2) 1 calc R U P C 1
C28 C 0.5181(6) 0.7183(16) 0.6158(11) 0.097(9) Uani 0.59(2) 1 d . U P C 1
H28A H 0.5069 0.7271 0.6391 0.146 Uiso 0.59(2) 1 calc R U P C 1
H28B H 0.5281 0.6699 0.6205 0.146 Uiso 0.59(2) 1 calc R U P C 1
H28C H 0.4989 0.7239 0.5815 0.146 Uiso 0.59(2) 1 calc R U P C 1
C26A C 0.5146(9) 0.822(2) 0.6149(13) 0.107(11) Uani 0.41(2) 1 d . U P C 2
H26D H 0.4927 0.7997 0.5880 0.160 Uiso 0.41(2) 1 calc R U P C 2
H26E H 0.5184 0.8693 0.6047 0.160 Uiso 0.41(2) 1 calc R U P C 2
H26F H 0.5103 0.8247 0.6451 0.160 Uiso 0.41(2) 1 calc R U P C 2
C27A C 0.5821(8) 0.8157(18) 0.6680(9) 0.100(11) Uani 0.41(2) 1 d . U P C 2
H27D H 0.5771 0.8163 0.6976 0.150 Uiso 0.41(2) 1 calc R U P C 2
H27E H 0.5827 0.8646 0.6569 0.150 Uiso 0.41(2) 1 calc R U P C 2
H27F H 0.6064 0.7929 0.6763 0.150 Uiso 0.41(2) 1 calc R U P C 2
C28A C 0.5408(13) 0.7082(16) 0.6348(15) 0.103(12) Uani 0.41(2) 1 d . U P C 2
H28D H 0.5276 0.6831 0.6031 0.155 Uiso 0.41(2) 1 calc R U P C 2
H28E H 0.5243 0.7129 0.6516 0.155 Uiso 0.41(2) 1 calc R U P C 2
H28F H 0.5632 0.6813 0.6561 0.155 Uiso 0.41(2) 1 calc R U P C 2
C29 C 0.69261(16) 0.5757(3) 0.5624(2) 0.0395(13) Uani 1 1 d . . . . .
C30 C 0.6742(2) 0.5577(4) 0.5912(3) 0.0599(19) Uani 1 1 d . . . . .
H30 H 0.6613 0.5934 0.6004 0.072 Uiso 1 1 calc R U . . .
C31 C 0.6742(2) 0.4882(4) 0.6070(3) 0.069(2) Uani 1 1 d . . . . .
H31 H 0.6615 0.4768 0.6270 0.083 Uiso 1 1 calc R U . . .
C32 C 0.69265(19) 0.4356(4) 0.5938(3) 0.0534(17) Uani 1 1 d . . . . .
C33 C 0.7106(2) 0.4526(4) 0.5646(3) 0.0596(18) Uani 1 1 d . . . . .
H33 H 0.7235 0.4168 0.5556 0.072 Uiso 1 1 calc R U . . .
C34 C 0.7100(2) 0.5220(3) 0.5480(3) 0.0527(16) Uani 1 1 d . . . . .
H34 H 0.7217 0.5327 0.5267 0.063 Uiso 1 1 calc R U . . .
C35 C 0.6526(3) 0.3360(5) 0.5970(4) 0.1015(16) Uani 1 1 d . . . . .
H35A H 0.6383 0.3726 0.6049 0.152 Uiso 1 1 calc R U . . .
H35B H 0.6530 0.2923 0.6153 0.152 Uiso 1 1 calc R U . . .
H35C H 0.6407 0.3263 0.5611 0.152 Uiso 1 1 calc R U . . .
C36 C 0.7090(3) 0.3608(5) 0.6671(4) 0.1015(16) Uani 1 1 d . . . . .
H36A H 0.7353 0.3751 0.6810 0.152 Uiso 1 1 calc R U . . .
H36B H 0.7071 0.3125 0.6783 0.152 Uiso 1 1 calc R U . . .
H36C H 0.6950 0.3936 0.6786 0.152 Uiso 1 1 calc R U . . .
C37 C 0.7103(3) 0.3107(5) 0.5937(4) 0.1015(16) Uani 1 1 d . . . . .
H37A H 0.6979 0.3109 0.5572 0.152 Uiso 1 1 calc R U . . .
H37B H 0.7078 0.2635 0.6060 0.152 Uiso 1 1 calc R U . . .
H37C H 0.7369 0.3221 0.6052 0.152 Uiso 1 1 calc R U . . .
C38 C 0.84473(16) 0.6462(3) 0.5999(2) 0.0388(13) Uani 1 1 d . . . . .
C39 C 0.83345(19) 0.5776(3) 0.5838(3) 0.0513(16) Uani 1 1 d . . . . .
H39 H 0.8089 0.5693 0.5586 0.062 Uiso 1 1 calc R U . . .
C40 C 0.8576(2) 0.5207(3) 0.6043(3) 0.0581(18) Uani 1 1 d . . . . .
H40 H 0.8498 0.4737 0.5928 0.070 Uiso 1 1 calc R U . . .
C41 C 0.89246(19) 0.5324(4) 0.6408(3) 0.0527(17) Uani 1 1 d . . . . .
C42 C 0.90436(19) 0.6010(4) 0.6567(3) 0.0610(19) Uani 1 1 d . . . . .
H42 H 0.9289 0.6092 0.6818 0.073 Uiso 1 1 calc R U . . .
C43 C 0.88041(18) 0.6572(4) 0.6360(3) 0.0557(17) Uani 1 1 d . . . . .
H43 H 0.8887 0.7042 0.6468 0.067 Uiso 1 1 calc R U . . .
C44 C 0.9012(3) 0.4004(5) 0.6474(4) 0.0951(19) Uani 1 1 d . . . . .
H44A H 0.8916 0.3971 0.6110 0.143 Uiso 1 1 calc R U . . .
H44B H 0.8804 0.3950 0.6569 0.143 Uiso 1 1 calc R U . . .
H44C H 0.9196 0.3626 0.6630 0.143 Uiso 1 1 calc R U . . .
C45 C 0.9327(3) 0.4747(5) 0.7207(4) 0.0951(19) Uani 1 1 d . . . . .
H45A H 0.9484 0.4331 0.7359 0.143 Uiso 1 1 calc R U . . .
H45B H 0.9109 0.4745 0.7284 0.143 Uiso 1 1 calc R U . . .
H45C H 0.9473 0.5181 0.7339 0.143 Uiso 1 1 calc R U . . .
C46 C 0.9516(3) 0.4775(5) 0.6519(4) 0.0951(19) Uani 1 1 d . . . . .
H46A H 0.9697 0.4399 0.6691 0.143 Uiso 1 1 calc R U . . .
H46B H 0.9635 0.5240 0.6623 0.143 Uiso 1 1 calc R U . . .
H46C H 0.9428 0.4721 0.6158 0.143 Uiso 1 1 calc R U . . .
C47 C 0.72766(16) 0.8977(3) 0.5636(2) 0.0367(12) Uani 1 1 d . . . . .
C48 C 0.7259(2) 0.9674(4) 0.5757(4) 0.076(3) Uani 1 1 d . . . . .
H48 H 0.7471 0.9972 0.5835 0.091 Uiso 1 1 calc R U . . .
C49 C 0.6935(2) 0.9956(4) 0.5769(4) 0.084(3) Uani 1 1 d . . . . .
H49 H 0.6930 1.0438 0.5861 0.101 Uiso 1 1 calc R U . . .
C50 C 0.66290(18) 0.9544(3) 0.5649(2) 0.0453(14) Uani 1 1 d . . . . .
C51 C 0.6636(2) 0.8858(4) 0.5507(3) 0.066(2) Uani 1 1 d . . . . .
H51 H 0.6418 0.8570 0.5413 0.079 Uiso 1 1 calc R U . . .
C52 C 0.6958(2) 0.8580(3) 0.5501(3) 0.060(2) Uani 1 1 d . . . . .
H52 H 0.6958 0.8101 0.5399 0.072 Uiso 1 1 calc R U . . .
C53 C 0.5953(3) 0.9732(5) 0.5213(4) 0.0992(16) Uani 1 1 d . . . . .
H53A H 0.5911 0.9225 0.5131 0.149 Uiso 1 1 calc R U . . .
H53B H 0.5992 0.9980 0.4948 0.149 Uiso 1 1 calc R U . . .
H53C H 0.5734 0.9932 0.5242 0.149 Uiso 1 1 calc R U . . .
C54 C 0.6297(3) 1.0593(5) 0.5793(4) 0.0992(16) Uani 1 1 d . . . . .
H54A H 0.6061 1.0732 0.5805 0.149 Uiso 1 1 calc R U . . .
H54B H 0.6326 1.0855 0.5526 0.149 Uiso 1 1 calc R U . . .
H54C H 0.6507 1.0702 0.6113 0.149 Uiso 1 1 calc R U . . .
C55 C 0.6243(3) 0.9438(5) 0.6095(4) 0.0992(16) Uani 1 1 d . . . . .
H55A H 0.6475 0.9469 0.6403 0.149 Uiso 1 1 calc R U . . .
H55B H 0.6186 0.8937 0.6001 0.149 Uiso 1 1 calc R U . . .
H55C H 0.6037 0.9651 0.6149 0.149 Uiso 1 1 calc R U . . .
C56 C 0.77722(18) 0.8364(3) 0.6708(2) 0.0441(14) Uani 1 1 d . . . . .
C57 C 0.7418(3) 0.8752(5) 0.7076(3) 0.071(2) Uani 1 1 d . . . . .
H57 H 0.7229 0.8765 0.7195 0.085 Uiso 1 1 calc R U . . .
C58 C 0.7665(3) 0.9256(4) 0.7129(3) 0.071(2) Uani 1 1 d . . . . .
H58 H 0.7688 0.9699 0.7293 0.085 Uiso 1 1 calc R U . . .
C59 C 0.7266(2) 0.7549(5) 0.6677(3) 0.070(2) Uani 1 1 d . . . . .
H59A H 0.7356 0.7247 0.6481 0.105 Uiso 1 1 calc R U . . .
H59B H 0.7002 0.7666 0.6477 0.105 Uiso 1 1 calc R U . . .
H59C H 0.7293 0.7294 0.6979 0.105 Uiso 1 1 calc R U . . .
C60 C 0.8169(3) 0.9448(4) 0.6850(3) 0.077(2) Uani 1 1 d . . . . .
H60A H 0.8387 0.9482 0.7174 0.115 Uiso 1 1 calc R U . . .
H60B H 0.8070 0.9925 0.6735 0.115 Uiso 1 1 calc R U . . .
H60C H 0.8245 0.9229 0.6607 0.115 Uiso 1 1 calc R U . . .
C61 C 0.82430(17) 0.7131(3) 0.6863(2) 0.0411(13) Uani 1 1 d . . . . .
C62 C 0.8443(2) 0.6185(4) 0.7365(3) 0.0620(19) Uani 1 1 d . . . . .
H62 H 0.8452 0.5718 0.7493 0.074 Uiso 1 1 calc R U . . .
C63 C 0.8696(2) 0.6696(4) 0.7569(3) 0.070(2) Uani 1 1 d . . . . .
H63 H 0.8919 0.6667 0.7870 0.084 Uiso 1 1 calc R U . . .
C64 C 0.7839(2) 0.6051(4) 0.6606(3) 0.0594(18) Uani 1 1 d . . . . .
H64A H 0.7712 0.6298 0.6286 0.089 Uiso 1 1 calc R U . . .
H64B H 0.7667 0.6000 0.6763 0.089 Uiso 1 1 calc R U . . .
H64C H 0.7920 0.5580 0.6550 0.089 Uiso 1 1 calc R U . . .
C65 C 0.8771(3) 0.7955(5) 0.7346(3) 0.087(3) Uani 1 1 d . . . . .
H65A H 0.8671 0.8240 0.7040 0.130 Uiso 1 1 calc R U . . .
H65B H 0.9038 0.7866 0.7448 0.130 Uiso 1 1 calc R U . . .
H65C H 0.8738 0.8213 0.7612 0.130 Uiso 1 1 calc R U . . .
P1 P 0.46631(8) 0.94233(16) 0.37421(15) 0.1060(10) Uani 1 1 d D . . . .
F1 F 0.4592(3) 0.8836(5) 0.4037(6) 0.277(8) Uani 1 1 d D . . . .
F2 F 0.4666(4) 0.8925(6) 0.3328(6) 0.270(7) Uani 1 1 d D . . . .
F3 F 0.4233(2) 0.9524(6) 0.3421(4) 0.199(4) Uani 1 1 d D . . . .
F4 F 0.47360(19) 1.0045(4) 0.3449(3) 0.140(3) Uani 1 1 d D . . . .
F5 F 0.4619(3) 0.9953(5) 0.4110(3) 0.176(3) Uani 1 1 d D . . . .
F6 F 0.5075(2) 0.9322(7) 0.4030(4) 0.229(6) Uani 1 1 d D . . . .
P2 P 0.66507(8) 0.89116(11) 0.77218(11) 0.0792(7) Uani 1 1 d . . . . .
F7 F 0.6883(3) 0.8453(5) 0.8177(5) 0.230(6) Uani 1 1 d . . . . .
F8 F 0.6696(3) 0.8346(4) 0.7368(5) 0.198(5) Uani 1 1 d . . . . .
F9 F 0.6995(2) 0.9332(3) 0.7745(3) 0.146(3) Uani 1 1 d . . . . .
F10 F 0.6390(3) 0.9353(4) 0.7267(3) 0.173(3) Uani 1 1 d . . . . .
F11 F 0.65941(18) 0.9484(3) 0.8060(3) 0.122(2) Uani 1 1 d . . . . .
F12 F 0.62875(18) 0.8490(3) 0.7683(2) 0.112(2) Uani 1 1 d . . . . .
P3 P 0.76342(7) 0.63698(10) 0.80091(9) 0.0663(5) Uani 1 1 d . . . . .
F13 F 0.7342(2) 0.6112(4) 0.7490(3) 0.152(3) Uani 1 1 d . . . . .
F14 F 0.74338(19) 0.5895(3) 0.8265(3) 0.122(2) Uani 1 1 d . . . . .
F15 F 0.73764(17) 0.7022(3) 0.7977(3) 0.116(2) Uani 1 1 d . . . . .
F16 F 0.7937(2) 0.6620(3) 0.8535(2) 0.128(2) Uani 1 1 d . . . . .
F17 F 0.78365(19) 0.6853(3) 0.7769(3) 0.125(2) Uani 1 1 d . . . . .
F18 F 0.78892(17) 0.5713(3) 0.8040(2) 0.1059(18) Uani 1 1 d . . . . .
P4 P 0.40480(8) 0.49826(16) 0.33359(12) 0.0925(8) Uani 1 1 d . . . . .
F19 F 0.4117(5) 0.4461(6) 0.3011(5) 0.281(8) Uani 1 1 d . . . . .
F20 F 0.4474(2) 0.4943(6) 0.3701(3) 0.183(4) Uani 1 1 d . . . . .
F21 F 0.4126(2) 0.5549(5) 0.3010(4) 0.176(4) Uani 1 1 d . . . . .
F22 F 0.4024(3) 0.5479(5) 0.3726(5) 0.220(5) Uani 1 1 d . . . . .
F23 F 0.3639(2) 0.5096(9) 0.3037(4) 0.279(8) Uani 1 1 d . . . . .
F24 F 0.3957(2) 0.4359(4) 0.3613(3) 0.157(3) Uani 1 1 d . . . . .
P5 P 0.59093(9) 0.21624(13) 0.47335(9) 0.0851(7) Uani 1 1 d . . . . .
F25 F 0.5606(3) 0.1645(5) 0.4740(3) 0.173(3) Uani 1 1 d . . . . .
F26 F 0.5696(3) 0.2815(4) 0.4793(3) 0.163(3) Uani 1 1 d . . . . .
F27 F 0.6133(3) 0.2089(3) 0.5307(2) 0.165(4) Uani 1 1 d . . . . .
F28 F 0.6224(2) 0.2688(5) 0.4728(3) 0.155(3) Uani 1 1 d . . . . .
F29 F 0.6116(3) 0.1484(5) 0.4668(3) 0.183(4) Uani 1 1 d . . . . .
F30 F 0.5714(2) 0.2254(4) 0.4151(2) 0.123(2) Uani 1 1 d . . . . .
P6 P 0.77426(16) 0.3396(3) 0.5096(2) 0.0910(15) Uani 0.5 1 d D . P D -1
F31 F 0.7814(8) 0.2628(7) 0.5066(8) 0.29(2) Uani 0.5 1 d D . P D -1
F32 F 0.7790(5) 0.3329(10) 0.5641(5) 0.196(9) Uani 0.5 1 d D . P D -1
F33 F 0.7320(4) 0.3383(16) 0.4921(6) 0.30(2) Uani 0.5 1 d D . P D -1
F34 F 0.7681(5) 0.4211(6) 0.5125(7) 0.156(6) Uani 0.5 1 d D . P D -1
F35 F 0.7740(4) 0.3465(6) 0.4588(4) 0.132(5) Uani 0.5 1 d D . P D -1
F36 F 0.8138(4) 0.3588(11) 0.5282(8) 0.230(11) Uani 0.5 1 d D . P D -1
P7 P 0.5000 0.75316(15) 0.7500 0.0530(6) Uani 1 2 d S T P . .
F39 F 0.52646(17) 0.7507(4) 0.80712(19) 0.123(2) Uani 1 1 d . . . . .
F38 F 0.4768(2) 0.6936(4) 0.7605(3) 0.136(3) Uani 1 1 d . . . . .
F37 F 0.5252(3) 0.8060(5) 0.7407(3) 0.213(5) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
S3 Ag1 S1 144.61(6) . .
S3 Ag1 S2 121.74(5) . .
S1 Ag1 S2 76.69(5) . .
S3 Ag1 S4 101.93(5) . 7_666
S1 Ag1 S4 99.66(5) . 7_666
S2 Ag1 S4 107.77(5) . 7_666
S3 Ag1 Pd1 122.50(4) . .
S1 Ag1 Pd1 46.19(4) . .
S2 Ag1 Pd1 46.18(4) . .
S4 Ag1 Pd1 135.32(4) 7_666 .
S3 Ag2 S4 134.28(6) . .
S3 Ag2 S5 110.24(5) . 7_666
S4 Ag2 S5 115.06(5) . 7_666
S3 Ag2 Ag2 118.32(4) . 7_666
S4 Ag2 Ag2 76.45(4) . 7_666
S5 Ag2 Ag2 79.89(4) 7_666 7_666
C1 Pd1 C6 94.6(13) . .
C6 Pd1 C1A 90.4(7) . .
C1 Pd1 S1 165.6(7) . .
C6 Pd1 S1 91.24(17) . .
C1A Pd1 S1 174.8(5) . .
C1 Pd1 S2 88.3(13) . .
C6 Pd1 S2 176.96(17) . .
C1A Pd1 S2 92.3(7) . .
S1 Pd1 S2 86.19(5) . .
C1 Pd1 Ag1 133.5(13) . .
C6 Pd1 Ag1 122.59(17) . .
C1A Pd1 Ag1 131.6(7) . .
S1 Pd1 Ag1 50.78(5) . .
S2 Pd1 Ag1 54.42(4) . .
C56 Pd2 C61 91.1(2) . .
C56 Pd2 S4 174.26(18) . .
C61 Pd2 S4 94.38(17) . .
C56 Pd2 S5 89.90(17) . .
C61 Pd2 S5 174.62(18) . .
S4 Pd2 S5 84.74(5) . .
C11 S1 Pd1 110.7(2) . .
C11 S1 Ag1 114.3(2) . .
Pd1 S1 Ag1 83.04(5) . .
C20 S2 Pd1 103.85(19) . .
C20 S2 Ag1 111.9(2) . .
Pd1 S2 Ag1 79.40(5) . .
C29 S3 Ag1 110.2(2) . .
C29 S3 Ag2 108.0(2) . .
Ag1 S3 Ag2 93.05(6) . .
C38 S4 Pd2 113.6(2) . .
C38 S4 Ag2 112.3(2) . .
Pd2 S4 Ag2 88.28(5) . .
C38 S4 Ag1 106.61(19) . 7_666
Pd2 S4 Ag1 109.67(5) . 7_666
Ag2 S4 Ag1 125.44(6) . 7_666
C47 S5 Pd2 109.32(19) . .
C47 S5 Ag2 106.7(2) . 7_666
Pd2 S5 Ag2 116.29(6) . 7_666
C2 N1 C1 117.8(17) . .
C2 N1 C4 120.7(18) . .
C1 N1 C4 121.4(16) . .
C1 N2 C3 110.2(16) . .
C1 N2 C5 124.6(16) . .
C3 N2 C5 125.2(16) . .
N1 C1 N2 101.6(14) . .
N1 C1 Pd1 132.4(14) . .
N2 C1 Pd1 126.0(16) . .
N1 C2 C3 102.3(16) . .
N1 C2 H2 128.9 . .
C3 C2 H2 128.9 . .
C2 C3 N2 108.1(15) . .
C2 C3 H3 126.0 . .
N2 C3 H3 126.0 . .
N1 C4 H4A 109.5 . .
N1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
N1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N2 C5 H5A 109.5 . .
N2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
N2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C2A N1A C1A 115.1(14) . .
C2A N1A C4A 122.7(15) . .
C1A N1A C4A 122.0(11) . .
C1A N2A C3A 109.6(14) . .
C1A N2A C5A 124.5(12) . .
C3A N2A C5A 125.8(15) . .
N1A C1A N2A 103.4(11) . .
N1A C1A Pd1 129.5(11) . .
N2A C1A Pd1 127.1(10) . .
N1A C2A C3A 104.6(13) . .
N1A C2A H2A 127.7 . .
C3A C2A H2A 127.7 . .
C2A C3A N2A 107.2(13) . .
C2A C3A H3A 126.4 . .
N2A C3A H3A 126.4 . .
N1A C4A H4A1 109.5 . .
N1A C4A H4A2 109.5 . .
H4A1 C4A H4A2 109.5 . .
N1A C4A H4A3 109.5 . .
H4A1 C4A H4A3 109.5 . .
H4A2 C4A H4A3 109.5 . .
N2A C5A H5A1 109.5 . .
N2A C5A H5A2 109.5 . .
H5A1 C5A H5A2 109.5 . .
N2A C5A H5A3 109.5 . .
H5A1 C5A H5A3 109.5 . .
H5A2 C5A H5A3 109.5 . .
C6 N3 C7 110.9(7) . .
C6 N3 C9 124.3(6) . .
C7 N3 C9 124.7(7) . .
C6 N4 C8 110.5(7) . .
C6 N4 C10 125.1(7) . .
C8 N4 C10 124.4(7) . .
C19 N5 C17 114.8(11) . .
C19 N5 C14 111.2(7) . .
C17 N5 C14 113.3(7) . .
C17A N5 C14 109.5(11) . .
C17A N5 C19A 114.9(19) . .
C14 N5 C19A 109.7(10) . .
C19 N5 C18 108.2(10) . .
C17 N5 C18 99.4(10) . .
C14 N5 C18 109.0(7) . .
C17A N5 C18A 110.6(18) . .
C14 N5 C18A 111.7(11) . .
C19A N5 C18A 100.2(17) . .
C28A N6 C23 110.4(15) . .
C26 N6 C23 112.9(8) . .
C28A N6 C27A 121(2) . .
C23 N6 C27A 108.7(9) . .
C26 N6 C27 108.6(12) . .
C23 N6 C27 113.2(7) . .
C26 N6 C28 110.4(14) . .
C23 N6 C28 107.1(11) . .
C27 N6 C28 104.2(13) . .
C28A N6 C26A 103(2) . .
C23 N6 C26A 110.7(12) . .
C27A N6 C26A 102.4(18) . .
C37 N7 C36 111.5(9) . .
C37 N7 C32 115.0(8) . .
C36 N7 C32 111.2(7) . .
C37 N7 C35 105.7(8) . .
C36 N7 C35 102.7(8) . .
C32 N7 C35 110.0(7) . .
C46 N8 C45 110.5(7) . .
C46 N8 C41 109.9(5) . .
C45 N8 C41 109.5(6) . .
C46 N8 C44 108.3(7) . .
C45 N8 C44 107.0(7) . .
C41 N8 C44 111.6(6) . .
C55 N9 C54 108.6(8) . .
C55 N9 C53 110.6(9) . .
C54 N9 C53 103.4(8) . .
C55 N9 C50 109.3(7) . .
C54 N9 C50 114.7(8) . .
C53 N9 C50 110.1(7) . .
C56 N10 C57 110.3(6) . .
C56 N10 C59 126.0(6) . .
C57 N10 C59 123.7(6) . .
C56 N11 C58 109.9(6) . .
C56 N11 C60 126.8(6) . .
C58 N11 C60 123.2(6) . .
C61 N12 C62 110.4(6) . .
C61 N12 C64 126.6(5) . .
C62 N12 C64 123.0(6) . .
C61 N13 C63 110.5(6) . .
C61 N13 C65 125.7(6) . .
C63 N13 C65 123.8(6) . .
N3 C6 N4 104.8(6) . .
N3 C6 Pd1 126.6(5) . .
N4 C6 Pd1 128.4(5) . .
C8 C7 N3 106.9(7) . .
C8 C7 H7 126.5 . .
N3 C7 H7 126.5 . .
C7 C8 N4 106.9(7) . .
C7 C8 H8 126.5 . .
N4 C8 H8 126.5 . .
N3 C9 H9A 109.5 . .
N3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N4 C10 H10A 109.5 . .
N4 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
N4 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C12 C11 C16 118.2(6) . .
C12 C11 S1 119.6(5) . .
C16 C11 S1 122.2(5) . .
C11 C12 C13 121.3(6) . .
C11 C12 H12 119.4 . .
C13 C12 H12 119.4 . .
C14 C13 C12 119.9(6) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C15 C14 C13 120.2(6) . .
C15 C14 N5 120.6(6) . .
C13 C14 N5 119.2(6) . .
C14 C15 C16 119.8(7) . .
C14 C15 H15 120.1 . .
C16 C15 H15 120.1 . .
C11 C16 C15 120.6(6) . .
C11 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
N5 C17 H17A 109.5 . .
N5 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
N5 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N5 C18 H18A 109.5 . .
N5 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N5 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N5 C19 H19A 109.5 . .
N5 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N5 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N5 C17A H17D 109.5 . .
N5 C17A H17E 109.5 . .
H17D C17A H17E 109.5 . .
N5 C17A H17F 109.5 . .
H17D C17A H17F 109.5 . .
H17E C17A H17F 109.5 . .
N5 C18A H18D 109.5 . .
N5 C18A H18E 109.5 . .
H18D C18A H18E 109.5 . .
N5 C18A H18F 109.5 . .
H18D C18A H18F 109.5 . .
H18E C18A H18F 109.5 . .
N5 C19A H19D 109.5 . .
N5 C19A H19E 109.5 . .
H19D C19A H19E 109.5 . .
N5 C19A H19F 109.5 . .
H19D C19A H19F 109.5 . .
H19E C19A H19F 109.5 . .
C21 C20 C25 118.1(6) . .
C21 C20 S2 122.4(4) . .
C25 C20 S2 119.5(5) . .
C22 C21 C20 121.2(6) . .
C22 C21 H21 119.4 . .
C20 C21 H21 119.4 . .
C21 C22 C23 119.8(7) . .
C21 C22 H22 120.1 . .
C23 C22 H22 120.1 . .
C24 C23 C22 120.1(6) . .
C24 C23 N6 120.3(6) . .
C22 C23 N6 119.5(6) . .
C23 C24 C25 119.9(6) . .
C23 C24 H24 120.1 . .
C25 C24 H24 120.1 . .
C24 C25 C20 120.7(6) . .
C24 C25 H25 119.6 . .
C20 C25 H25 119.6 . .
N6 C26 H26A 109.5 . .
N6 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
N6 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
N6 C27 H27A 109.5 . .
N6 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
N6 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N6 C28 H28A 109.5 . .
N6 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
N6 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
N6 C26A H26D 109.5 . .
N6 C26A H26E 109.5 . .
H26D C26A H26E 109.5 . .
N6 C26A H26F 109.5 . .
H26D C26A H26F 109.5 . .
H26E C26A H26F 109.5 . .
N6 C27A H27D 109.5 . .
N6 C27A H27E 109.5 . .
H27D C27A H27E 109.5 . .
N6 C27A H27F 109.5 . .
H27D C27A H27F 109.5 . .
H27E C27A H27F 109.5 . .
N6 C28A H28D 109.5 . .
N6 C28A H28E 109.5 . .
H28D C28A H28E 109.5 . .
N6 C28A H28F 109.5 . .
H28D C28A H28F 109.5 . .
H28E C28A H28F 109.5 . .
C30 C29 C34 118.1(6) . .
C30 C29 S3 118.7(5) . .
C34 C29 S3 123.2(5) . .
C29 C30 C31 121.1(7) . .
C29 C30 H30 119.4 . .
C31 C30 H30 119.4 . .
C32 C31 C30 120.2(7) . .
C32 C31 H31 119.9 . .
C30 C31 H31 119.9 . .
C33 C32 C31 119.2(6) . .
C33 C32 N7 121.7(7) . .
C31 C32 N7 119.1(7) . .
C32 C33 C34 120.5(7) . .
C32 C33 H33 119.7 . .
C34 C33 H33 119.7 . .
C29 C34 C33 120.7(6) . .
C29 C34 H34 119.7 . .
C33 C34 H34 119.7 . .
N7 C35 H35A 109.5 . .
N7 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
N7 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
N7 C36 H36A 109.5 . .
N7 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
N7 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N7 C37 H37A 109.5 . .
N7 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
N7 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C43 C38 C39 118.8(6) . .
C43 C38 S4 120.2(5) . .
C39 C38 S4 121.0(5) . .
C38 C39 C40 120.6(6) . .
C38 C39 H39 119.7 . .
C40 C39 H39 119.7 . .
C41 C40 C39 119.7(6) . .
C41 C40 H40 120.1 . .
C39 C40 H40 120.1 . .
C40 C41 C42 120.3(6) . .
C40 C41 N8 121.7(7) . .
C42 C41 N8 118.0(7) . .
C43 C42 C41 119.7(6) . .
C43 C42 H42 120.2 . .
C41 C42 H42 120.2 . .
C38 C43 C42 120.9(6) . .
C38 C43 H43 119.6 . .
C42 C43 H43 119.6 . .
N8 C44 H44A 109.5 . .
N8 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
N8 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
N8 C45 H45A 109.5 . .
N8 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
N8 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
N8 C46 H46A 109.5 . .
N8 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
N8 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C52 C47 C48 117.3(6) . .
C52 C47 S5 122.9(4) . .
C48 C47 S5 119.8(5) . .
C47 C48 C49 121.1(7) . .
C47 C48 H48 119.4 . .
C49 C48 H48 119.4 . .
C50 C49 C48 120.2(6) . .
C50 C49 H49 119.9 . .
C48 C49 H49 119.9 . .
C49 C50 C51 119.5(6) . .
C49 C50 N9 120.9(6) . .
C51 C50 N9 119.5(7) . .
C50 C51 C52 120.1(6) . .
C50 C51 H51 119.9 . .
C52 C51 H51 119.9 . .
C47 C52 C51 121.7(6) . .
C47 C52 H52 119.1 . .
C51 C52 H52 119.1 . .
N9 C53 H53A 109.5 . .
N9 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
N9 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
N9 C54 H54A 109.5 . .
N9 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
N9 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
N9 C55 H55A 109.5 . .
N9 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
N9 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
N10 C56 N11 105.5(5) . .
N10 C56 Pd2 127.5(5) . .
N11 C56 Pd2 126.7(5) . .
C58 C57 N10 107.1(7) . .
C58 C57 H57 126.4 . .
N10 C57 H57 126.4 . .
C57 C58 N11 107.1(7) . .
C57 C58 H58 126.4 . .
N11 C58 H58 126.4 . .
N10 C59 H59A 109.5 . .
N10 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
N10 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
N11 C60 H60A 109.5 . .
N11 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
N11 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
N12 C61 N13 105.4(5) . .
N12 C61 Pd2 129.6(5) . .
N13 C61 Pd2 124.9(5) . .
C63 C62 N12 107.3(6) . .
C63 C62 H62 126.4 . .
N12 C62 H62 126.4 . .
C62 C63 N13 106.5(6) . .
C62 C63 H63 126.7 . .
N13 C63 H63 126.7 . .
N12 C64 H64A 109.5 . .
N12 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
N12 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
N13 C65 H65A 109.5 . .
N13 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
N13 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
F6 P1 F1 90.2(6) . .
F6 P1 F5 95.9(7) . .
F1 P1 F5 87.6(6) . .
F6 P1 F2 90.0(7) . .
F1 P1 F2 94.8(7) . .
F5 P1 F2 173.6(7) . .
F6 P1 F4 89.9(5) . .
F1 P1 F4 178.3(7) . .
F5 P1 F4 90.7(5) . .
F2 P1 F4 86.9(6) . .
F6 P1 F3 177.7(7) . .
F1 P1 F3 91.1(6) . .
F5 P1 F3 86.0(5) . .
F2 P1 F3 88.0(7) . .
F4 P1 F3 88.9(5) . .
F7 P2 F10 175.6(6) . .
F7 P2 F9 93.8(5) . .
F10 P2 F9 90.5(5) . .
F7 P2 F11 91.0(6) . .
F10 P2 F11 88.0(5) . .
F9 P2 F11 89.1(3) . .
F7 P2 F8 90.6(7) . .
F10 P2 F8 90.3(6) . .
F9 P2 F8 91.6(4) . .
F11 P2 F8 178.2(6) . .
F7 P2 F12 88.0(5) . .
F10 P2 F12 87.8(5) . .
F9 P2 F12 178.3(5) . .
F11 P2 F12 91.0(3) . .
F8 P2 F12 88.3(4) . .
F13 P3 F17 92.2(4) . .
F13 P3 F15 89.8(4) . .
F17 P3 F15 87.9(3) . .
F13 P3 F18 90.0(4) . .
F17 P3 F18 92.5(3) . .
F15 P3 F18 179.5(3) . .
F13 P3 F16 178.8(5) . .
F17 P3 F16 87.6(4) . .
F15 P3 F16 91.4(4) . .
F18 P3 F16 88.9(4) . .
F13 P3 F14 89.2(4) . .
F17 P3 F14 178.5(4) . .
F15 P3 F14 91.4(3) . .
F18 P3 F14 88.1(3) . .
F16 P3 F14 91.0(4) . .
F19 P4 F23 99.3(9) . .
F19 P4 F22 172.4(9) . .
F23 P4 F22 87.7(8) . .
F19 P4 F21 84.8(6) . .
F23 P4 F21 89.0(5) . .
F22 P4 F21 98.3(6) . .
F19 P4 F24 89.5(5) . .
F23 P4 F24 89.2(5) . .
F22 P4 F24 87.6(6) . .
F21 P4 F24 173.7(6) . .
F19 P4 F20 88.7(8) . .
F23 P4 F20 172.0(8) . .
F22 P4 F20 84.4(6) . .
F21 P4 F20 91.3(4) . .
F24 P4 F20 91.3(5) . .
F26 P5 F25 92.0(5) . .
F26 P5 F27 91.6(5) . .
F25 P5 F27 90.6(5) . .
F26 P5 F30 90.1(4) . .
F25 P5 F30 93.6(5) . .
F27 P5 F30 175.4(5) . .
F26 P5 F29 178.3(6) . .
F25 P5 F29 86.4(6) . .
F27 P5 F29 88.9(4) . .
F30 P5 F29 89.5(4) . .
F26 P5 F28 88.5(5) . .
F25 P5 F28 179.4(5) . .
F27 P5 F28 89.2(4) . .
F30 P5 F28 86.6(4) . .
F29 P5 F28 93.1(6) . .
F36 P6 F31 93.6(13) . .
F36 P6 F35 84.6(10) . .
F31 P6 F35 86.7(9) . .
F36 P6 F33 166.4(14) . .
F31 P6 F33 100.0(14) . .
F35 P6 F33 96.9(9) . .
F36 P6 F32 89.6(11) . .
F31 P6 F32 92.4(10) . .
F35 P6 F32 174.0(10) . .
F33 P6 F32 89.0(9) . .
F36 P6 F34 84.4(10) . .
F31 P6 F34 177.7(12) . .
F35 P6 F34 92.0(8) . .
F33 P6 F34 82.1(11) . .
F32 P6 F34 88.7(9) . .
F37 P7 F37 97.8(9) 2_656 .
F37 P7 F38 87.0(5) 2_656 .
F37 P7 F38 174.9(6) . .
F37 P7 F38 174.9(6) 2_656 2_656
F37 P7 F38 87.0(5) . 2_656
F38 P7 F38 88.2(6) . 2_656
F37 P7 F39 91.7(4) 2_656 2_656
F37 P7 F39 90.5(4) . 2_656
F38 P7 F39 90.9(4) . 2_656
F38 P7 F39 86.6(4) 2_656 2_656
F37 P7 F39 90.5(4) 2_656 .
F37 P7 F39 91.7(4) . .
F38 P7 F39 86.6(4) . .
F38 P7 F39 91.0(4) 2_656 .
F39 P7 F39 176.6(6) 2_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S3 2.4536(18) .
Ag1 S1 2.5351(18) .
Ag1 S2 2.6875(17) .
Ag1 S4 2.7404(15) 7_666
Ag1 Pd1 3.2482(9) .
Ag2 S3 2.4834(16) .
Ag2 S4 2.5057(16) .
Ag2 S5 2.5618(17) 7_666
Ag2 Ag2 3.0004(10) 7_666
Pd1 C1 1.98(2) .
Pd1 C6 2.011(6) .
Pd1 C1A 2.033(13) .
Pd1 S1 2.3613(16) .
Pd1 S2 2.3841(17) .
Pd2 C56 2.016(6) .
Pd2 C61 2.022(6) .
Pd2 S4 2.3620(15) .
Pd2 S5 2.3731(15) .
S1 C11 1.768(6) .
S2 C20 1.785(6) .
S3 C29 1.766(6) .
S4 C38 1.777(6) .
S4 Ag1 2.7401(15) 7_666
S5 C47 1.771(6) .
S5 Ag2 2.5617(17) 7_666
N1 C2 1.324(18) .
N1 C1 1.340(17) .
N1 C4 1.466(18) .
N2 C1 1.353(16) .
N2 C3 1.388(19) .
N2 C5 1.44(2) .
C2 C3 1.37(2) .
C2 H2 0.9500 .
C3 H3 0.9500 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
N1A C2A 1.321(15) .
N1A C1A 1.348(14) .
N1A C4A 1.474(17) .
N2A C1A 1.353(15) .
N2A C3A 1.391(17) .
N2A C5A 1.434(19) .
C2A C3A 1.38(2) .
C2A H2A 0.9500 .
C3A H3A 0.9500 .
C4A H4A1 0.9800 .
C4A H4A2 0.9800 .
C4A H4A3 0.9800 .
C5A H5A1 0.9800 .
C5A H5A2 0.9800 .
C5A H5A3 0.9800 .
N3 C6 1.330(8) .
N3 C7 1.377(9) .
N3 C9 1.423(10) .
N4 C6 1.354(8) .
N4 C8 1.370(10) .
N4 C10 1.462(11) .
N5 C19 1.447(17) .
N5 C17 1.457(18) .
N5 C17A 1.47(3) .
N5 C14 1.506(8) .
N5 C19A 1.51(3) .
N5 C18 1.540(17) .
N5 C18A 1.56(3) .
N6 C28A 1.36(3) .
N6 C26 1.387(15) .
N6 C23 1.504(8) .
N6 C27A 1.54(2) .
N6 C27 1.557(18) .
N6 C28 1.59(2) .
N6 C26A 1.61(3) .
N7 C37 1.426(13) .
N7 C36 1.467(12) .
N7 C32 1.482(9) .
N7 C35 1.548(13) .
N8 C46 1.471(10) .
N8 C45 1.510(12) .
N8 C41 1.513(8) .
N8 C44 1.515(12) .
N9 C55 1.467(12) .
N9 C54 1.482(12) .
N9 C53 1.488(13) .
N9 C50 1.492(9) .
N10 C56 1.335(8) .
N10 C57 1.385(9) .
N10 C59 1.457(9) .
N11 C56 1.348(8) .
N11 C58 1.384(9) .
N11 C60 1.445(9) .
N12 C61 1.337(8) .
N12 C62 1.387(8) .
N12 C64 1.451(9) .
N13 C61 1.350(8) .
N13 C63 1.386(9) .
N13 C65 1.459(10) .
C7 C8 1.326(13) .
C7 H7 0.9500 .
C8 H8 0.9500 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.379(8) .
C11 C16 1.388(9) .
C12 C13 1.379(9) .
C12 H12 0.9500 .
C13 C14 1.371(9) .
C13 H13 0.9500 .
C14 C15 1.368(9) .
C15 C16 1.391(9) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C17A H17D 0.9800 .
C17A H17E 0.9800 .
C17A H17F 0.9800 .
C18A H18D 0.9800 .
C18A H18E 0.9800 .
C18A H18F 0.9800 .
C19A H19D 0.9800 .
C19A H19E 0.9800 .
C19A H19F 0.9800 .
C20 C21 1.384(8) .
C20 C25 1.392(8) .
C21 C22 1.375(9) .
C21 H21 0.9500 .
C22 C23 1.377(9) .
C22 H22 0.9500 .
C23 C24 1.376(10) .
C24 C25 1.381(9) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C26A H26D 0.9800 .
C26A H26E 0.9800 .
C26A H26F 0.9800 .
C27A H27D 0.9800 .
C27A H27E 0.9800 .
C27A H27F 0.9800 .
C28A H28D 0.9800 .
C28A H28E 0.9800 .
C28A H28F 0.9800 .
C29 C30 1.378(9) .
C29 C34 1.388(8) .
C30 C31 1.389(10) .
C30 H30 0.9500 .
C31 C32 1.379(10) .
C31 H31 0.9500 .
C32 C33 1.370(10) .
C33 C34 1.391(9) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 C43 1.373(9) .
C38 C39 1.382(8) .
C39 C40 1.390(9) .
C39 H39 0.9500 .
C40 C41 1.356(10) .
C40 H40 0.9500 .
C41 C42 1.385(10) .
C42 C43 1.376(9) .
C42 H42 0.9500 .
C43 H43 0.9500 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 C52 1.367(9) .
C47 C48 1.369(9) .
C48 C49 1.401(10) .
C48 H48 0.9500 .
C49 C50 1.348(10) .
C49 H49 0.9500 .
C50 C51 1.361(9) .
C51 C52 1.386(9) .
C51 H51 0.9500 .
C52 H52 0.9500 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C57 C58 1.320(12) .
C57 H57 0.9500 .
C58 H58 0.9500 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C62 C63 1.331(11) .
C62 H62 0.9500 .
C63 H63 0.9500 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
P1 F6 1.492(7) .
P1 F1 1.507(8) .
P1 F5 1.540(8) .
P1 F2 1.548(10) .
P1 F4 1.555(7) .
P1 F3 1.562(8) .
P2 F7 1.533(9) .
P2 F10 1.545(8) .
P2 F9 1.551(6) .
P2 F11 1.552(6) .
P2 F8 1.557(7) .
P2 F12 1.600(6) .
P3 F13 1.555(7) .
P3 F17 1.568(6) .
P3 F15 1.571(5) .
P3 F18 1.571(5) .
P3 F16 1.577(6) .
P3 F14 1.584(6) .
P4 F19 1.481(10) .
P4 F23 1.489(8) .
P4 F22 1.522(10) .
P4 F21 1.555(7) .
P4 F24 1.559(7) .
P4 F20 1.567(8) .
P5 F26 1.542(7) .
P5 F25 1.551(8) .
P5 F27 1.552(7) .
P5 F30 1.571(6) .
P5 F29 1.571(8) .
P5 F28 1.593(8) .
P6 F36 1.462(13) .
P6 F31 1.483(13) .
P6 F35 1.508(10) .
P6 F33 1.520(14) .
P6 F32 1.548(12) .
P6 F34 1.561(12) .
P7 F37 1.513(6) 2_656
P7 F37 1.513(6) .
P7 F38 1.561(6) .
P7 F38 1.561(6) 2_656
P7 F39 1.565(5) 2_656
P7 F39 1.565(5) .
