#------------------------------------------------------------------------------
#$Date: 2016-01-01 11:18:28 +0200 (Fri, 01 Jan 2016) $
#$Revision: 171866 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/77/7037781.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_7037781
loop_
_publ_author_name
'Fernández-Rodríguez, María-José'
'Martínez-Viviente, Eloísa'
'Vicente, José'
'Jones, Peter G.'
_publ_section_title
;
 Reactivity towards nitriles, cyanamides, and carbodiimides of palladium
 complexes derived from benzyl alcohol. Synthesis of a mixed Pd2Ag
 complex.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              820
_journal_page_last               830
_journal_paper_doi               10.1039/c5dt03597j
_journal_volume                  45
_journal_year                    2015
_chemical_formula_sum            'C69.5 H63.5 Ag Cl7.5 F3 N8 O5.5 Pd2 S'
_chemical_formula_weight         1774.39
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-09-14 deposited with the CCDC.
2015-12-03 downloaded from the CCDC.
;
_cell_angle_alpha                84.739(5)
_cell_angle_beta                 86.381(5)
_cell_angle_gamma                79.154(5)
_cell_formula_units_Z            4
_cell_length_a                   12.8921(7)
_cell_length_b                   17.7080(10)
_cell_length_c                   33.077(2)
_cell_measurement_reflns_used    27511
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      75.7679
_cell_measurement_theta_min      3.4918
_cell_volume                     7377.0(7)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.40 (release 27-04-2009 CrysAlis171 .NET)
(compiled Apr 27 2009,10:20:11)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.40 (release 27-04-2009 CrysAlis171 .NET)
(compiled Apr 27 2009,10:20:11)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.40 (release 27-04-2009 CrysAlis171 .NET)
(compiled Apr 27 2009,10:20:11)
;
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 10.3543
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Xcalibur, Atlas, Nova'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0837
_diffrn_reflns_av_sigmaI/netI    0.0694
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            135416
_diffrn_reflns_theta_full        72.50
_diffrn_reflns_theta_max         76.49
_diffrn_reflns_theta_min         3.49
_exptl_absorpt_coefficient_mu    9.284
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88379
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.40 (release 27-04-2009 CrysAlis171 .NET)
(compiled Apr 27 2009,10:20:11)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.598
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3560
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.639
_refine_diff_density_min         -1.586
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    'rigid methyls, others riding'
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1836
_refine_ls_number_reflns         30575
_refine_ls_number_restraints     943
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0965
_refine_ls_R_factor_gt           0.0652
_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1077P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1679
_refine_ls_wR_factor_ref         0.1841
_reflns_number_gt                21160
_reflns_number_total             30575
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03597j2.cif
_cod_data_source_block           nokey
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_cell_volume        7376.9(7)
_cod_database_code               7037781
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.70892(4) 0.75723(2) 0.259278(15) 0.03466(10) Uani 1 1 d . . .
Pd1 Pd 0.88436(4) 0.70718(2) 0.127920(14) 0.03129(10) Uani 1 1 d . . .
Pd2 Pd 0.40558(4) 0.84565(3) 0.363227(15) 0.03741(11) Uani 1 1 d . . .
O1 O 0.7873(4) 0.5822(2) 0.17676(14) 0.0326(9) Uani 1 1 d U . .
O2 O 0.5013(4) 0.9447(3) 0.31008(17) 0.0444(12) Uani 1 1 d U . .
N1 N 0.8763(4) 0.6743(3) 0.18875(16) 0.0302(10) Uani 1 1 d U . .
N2 N 0.7392(4) 0.6476(3) 0.23499(16) 0.0310(10) Uani 1 1 d U . .
N3 N 0.5576(5) 0.8247(3) 0.33860(19) 0.0410(13) Uani 1 1 d U . .
N4 N 0.6457(5) 0.8683(3) 0.27852(19) 0.0376(12) Uani 1 1 d U . .
C1 C 0.7253(5) 0.7336(4) 0.1296(2) 0.0357(13) Uani 1 1 d U . .
C2 C 0.6540(5) 0.6842(4) 0.1431(2) 0.0366(13) Uani 1 1 d U . .
C3 C 0.5456(6) 0.7128(5) 0.1440(2) 0.0482(16) Uani 1 1 d U . .
H3 H 0.4978 0.6796 0.1535 0.058 Uiso 1 1 calc R . .
C4 C 0.5068(6) 0.7888(5) 0.1313(3) 0.0498(17) Uani 1 1 d U . .
H4 H 0.4326 0.8071 0.1316 0.060 Uiso 1 1 calc R . .
C5 C 0.5746(7) 0.8378(4) 0.1184(3) 0.0510(18) Uani 1 1 d U . .
H5 H 0.5474 0.8899 0.1094 0.061 Uiso 1 1 calc R . .
C6 C 0.6835(6) 0.8113(4) 0.1183(2) 0.0429(15) Uani 1 1 d U . .
H6 H 0.7302 0.8463 0.1106 0.052 Uiso 1 1 calc R . .
C7 C 0.7990(5) 0.6360(3) 0.20247(19) 0.0303(12) Uani 1 1 d U . .
C8 C 0.6878(5) 0.5999(4) 0.15739(19) 0.0349(13) Uani 1 1 d U . .
H8A H 0.6324 0.5843 0.1767 0.042 Uiso 1 1 calc R . .
H8B H 0.6926 0.5689 0.1337 0.042 Uiso 1 1 calc R . .
C11 C 0.9096(5) 0.7234(3) 0.21503(19) 0.0334(12) Uani 1 1 d DU . .
C12 C 0.9633(5) 0.6929(4) 0.2493(2) 0.0421(15) Uani 1 1 d DU . .
H12 H 0.9777 0.6386 0.2554 0.050 Uiso 1 1 calc R . .
C13 C 0.9970(6) 0.7410(4) 0.2753(2) 0.0427(15) Uani 1 1 d DU . .
H13 H 1.0345 0.7189 0.2986 0.051 Uiso 1 1 calc R . .
C14 C 0.9756(6) 0.8214(4) 0.2670(2) 0.0455(16) Uani 1 1 d DU . .
C15 C 0.9215(6) 0.8513(4) 0.2325(2) 0.0438(16) Uani 1 1 d DU . .
H15 H 0.9056 0.9057 0.2266 0.053 Uiso 1 1 calc R . .
C16 C 0.8897(5) 0.8031(3) 0.2061(2) 0.0344(13) Uani 1 1 d DU . .
H16 H 0.8547 0.8248 0.1822 0.041 Uiso 1 1 calc R . .
C17 C 1.0080(8) 0.8735(5) 0.2952(3) 0.062(2) Uani 1 1 d U . .
H17A H 1.0526 0.9066 0.2801 0.093 Uiso 1 1 calc R . .
H17B H 1.0477 0.8424 0.3172 0.093 Uiso 1 1 calc R . .
H17C H 0.9448 0.9057 0.3068 0.093 Uiso 1 1 calc R . .
C21 C 0.6713(5) 0.5968(3) 0.25126(19) 0.0310(12) Uani 1 1 d DU . .
C22 C 0.7101(5) 0.5199(3) 0.2649(2) 0.0362(13) Uani 1 1 d DU . .
H22 H 0.7828 0.4984 0.2606 0.043 Uiso 1 1 calc R . .
C23 C 0.6416(5) 0.4754(3) 0.2848(2) 0.0388(14) Uani 1 1 d DU . .
H23 H 0.6687 0.4232 0.2934 0.047 Uiso 1 1 calc R . .
C24 C 0.5358(5) 0.5039(3) 0.2924(2) 0.0372(14) Uani 1 1 d DU . .
C25 C 0.4962(5) 0.5800(3) 0.2774(2) 0.0379(14) Uani 1 1 d DU . .
H25 H 0.4229 0.6003 0.2811 0.045 Uiso 1 1 calc R . .
C26 C 0.5628(5) 0.6261(3) 0.2571(2) 0.0361(13) Uani 1 1 d DU . .
H26 H 0.5347 0.6775 0.2472 0.043 Uiso 1 1 calc R . .
C27 C 0.4647(6) 0.4567(4) 0.3167(3) 0.0486(17) Uani 1 1 d U . .
H27A H 0.4983 0.4021 0.3180 0.073 Uiso 1 1 calc R . .
H27B H 0.3971 0.4634 0.3036 0.073 Uiso 1 1 calc R . .
H27C H 0.4524 0.4737 0.3442 0.073 Uiso 1 1 calc R . .
C31 C 0.3594(5) 0.8347(4) 0.30752(19) 0.0351(13) Uani 1 1 d U . .
C32 C 0.3831(6) 0.8833(4) 0.2735(2) 0.0394(14) Uani 1 1 d U . .
C33 C 0.3639(6) 0.8657(4) 0.2346(2) 0.0405(14) Uani 1 1 d U . .
H33 H 0.3841 0.8966 0.2115 0.049 Uiso 1 1 calc R . .
C34 C 0.3157(6) 0.8038(4) 0.2292(2) 0.0448(16) Uani 1 1 d U . .
H34 H 0.3026 0.7923 0.2027 0.054 Uiso 1 1 calc R . .
C35 C 0.2870(6) 0.7590(4) 0.2631(2) 0.0455(16) Uani 1 1 d U . .
H35 H 0.2506 0.7182 0.2599 0.055 Uiso 1 1 calc R . .
C36 C 0.3104(6) 0.7727(4) 0.3015(2) 0.0416(15) Uani 1 1 d U . .
H36 H 0.2930 0.7397 0.3242 0.050 Uiso 1 1 calc R . .
C37 C 0.5741(5) 0.8762(4) 0.3085(2) 0.0370(13) Uani 1 1 d U . .
C38 C 0.4259(6) 0.9545(4) 0.2782(2) 0.0426(15) Uani 1 1 d U . .
H38A H 0.4609 0.9702 0.2521 0.051 Uiso 1 1 calc R . .
H38B H 0.3664 0.9967 0.2844 0.051 Uiso 1 1 calc R . .
C41 C 0.6274(5) 0.7532(4) 0.3450(2) 0.0443(16) Uani 1 1 d DU . .
C42 C 0.7366(6) 0.7479(5) 0.3441(2) 0.0495(17) Uani 1 1 d DU . .
H42 H 0.7663 0.7932 0.3390 0.059 Uiso 1 1 calc R . .
C43 C 0.8027(6) 0.6761(5) 0.3505(2) 0.0577(19) Uani 1 1 d DU . .
H43 H 0.8771 0.6735 0.3501 0.069 Uiso 1 1 calc R . .
C44 C 0.7623(6) 0.6090(5) 0.3576(3) 0.060(2) Uani 1 1 d DU . .
C45 C 0.6531(7) 0.6151(4) 0.3591(3) 0.0552(19) Uani 1 1 d DU . .
H45 H 0.6236 0.5698 0.3646 0.066 Uiso 1 1 calc R . .
C46 C 0.5859(6) 0.6857(4) 0.3527(2) 0.0464(16) Uani 1 1 d DU . .
H46 H 0.5115 0.6881 0.3536 0.056 Uiso 1 1 calc R . .
C47 C 0.8339(9) 0.5308(6) 0.3631(4) 0.083(3) Uani 1 1 d U . .
H47A H 0.8641 0.5150 0.3365 0.124 Uiso 1 1 calc R . .
H47B H 0.7928 0.4927 0.3756 0.124 Uiso 1 1 calc R . .
H47C H 0.8910 0.5339 0.3807 0.124 Uiso 1 1 calc R . .
C51 C 0.6589(5) 0.9328(3) 0.2514(2) 0.0415(14) Uani 1 1 d DU . .
C52 C 0.6788(6) 1.0009(4) 0.2652(3) 0.056(2) Uani 1 1 d DU . .
H52 H 0.6832 1.0046 0.2935 0.068 Uiso 1 1 calc R . .
C53 C 0.6922(6) 1.0624(4) 0.2382(4) 0.068(2) Uani 1 1 d DU . .
H53 H 0.7058 1.1081 0.2481 0.081 Uiso 1 1 calc R . .
C54 C 0.6861(6) 1.0590(4) 0.1973(3) 0.065(2) Uani 1 1 d DU . .
C55 C 0.6678(6) 0.9912(4) 0.1825(3) 0.0551(19) Uani 1 1 d DU . .
H55 H 0.6650 0.9879 0.1541 0.066 Uiso 1 1 calc R . .
C56 C 0.6539(6) 0.9291(4) 0.2095(2) 0.0448(15) Uani 1 1 d DU . .
H56 H 0.6407 0.8834 0.1994 0.054 Uiso 1 1 calc R . .
C57 C 0.6999(8) 1.1274(5) 0.1675(5) 0.092(4) Uani 1 1 d U . .
H57A H 0.6390 1.1692 0.1706 0.138 Uiso 1 1 calc R . .
H57B H 0.7050 1.1117 0.1397 0.138 Uiso 1 1 calc R . .
H57C H 0.7646 1.1454 0.1730 0.138 Uiso 1 1 calc R . .
N61 N 1.0511(4) 0.6928(3) 0.12255(19) 0.0363(11) Uani 1 1 d U . .
C62 C 1.0899(6) 0.7259(4) 0.0877(2) 0.0403(14) Uani 1 1 d U . .
C63 C 1.1965(7) 0.7275(4) 0.0813(3) 0.0503(17) Uani 1 1 d U . .
H63 H 1.2225 0.7523 0.0571 0.060 Uiso 1 1 calc R . .
C64 C 1.2636(7) 0.6926(4) 0.1107(3) 0.0544(19) Uani 1 1 d U . .
H64 H 1.3373 0.6924 0.1066 0.065 Uiso 1 1 calc R . .
C65 C 1.2261(6) 0.6574(4) 0.1465(3) 0.0480(16) Uani 1 1 d U . .
H65 H 1.2730 0.6336 0.1669 0.058 Uiso 1 1 calc R . .
C66 C 1.1175(5) 0.6581(4) 0.1517(2) 0.0406(14) Uani 1 1 d U . .
H66 H 1.0901 0.6340 0.1758 0.049 Uiso 1 1 calc R . .
N71 N 0.9082(5) 0.7495(3) 0.06829(17) 0.0387(12) Uani 1 1 d U . .
C72 C 1.0106(6) 0.7559(3) 0.0569(2) 0.0410(14) Uani 1 1 d U . .
C73 C 1.0353(7) 0.7858(4) 0.0193(3) 0.0533(18) Uani 1 1 d U . .
H73 H 1.1066 0.7901 0.0120 0.064 Uiso 1 1 calc R . .
C74 C 0.9579(8) 0.8106(4) -0.0091(3) 0.059(2) Uani 1 1 d U . .
H74 H 0.9757 0.8321 -0.0354 0.070 Uiso 1 1 calc R . .
C75 C 0.8550(8) 0.8032(4) 0.0018(3) 0.0547(19) Uani 1 1 d U . .
H75 H 0.8004 0.8186 -0.0169 0.066 Uiso 1 1 calc R . .
C76 C 0.8341(7) 0.7724(4) 0.0410(2) 0.0449(16) Uani 1 1 d U . .
H76 H 0.7634 0.7673 0.0488 0.054 Uiso 1 1 calc R . .
N81 N 0.4436(5) 0.8424(3) 0.42478(18) 0.0402(13) Uani 1 1 d U . .
C82 C 0.3586(5) 0.8645(4) 0.4500(2) 0.0360(13) Uani 1 1 d U . .
C83 C 0.3669(6) 0.8591(4) 0.4916(2) 0.0430(15) Uani 1 1 d U . .
H83 H 0.3069 0.8760 0.5088 0.052 Uiso 1 1 calc R . .
C84 C 0.4635(6) 0.8288(4) 0.5078(2) 0.0466(16) Uani 1 1 d U . .
H84 H 0.4703 0.8245 0.5364 0.056 Uiso 1 1 calc R . .
C85 C 0.5497(7) 0.8050(5) 0.4824(2) 0.0517(19) Uani 1 1 d U . .
H85 H 0.6165 0.7833 0.4931 0.062 Uiso 1 1 calc R . .
C86 C 0.5366(6) 0.8134(5) 0.4409(2) 0.0510(19) Uani 1 1 d U . .
H86 H 0.5961 0.7980 0.4232 0.061 Uiso 1 1 calc R . .
N91 N 0.2601(4) 0.8875(3) 0.38893(18) 0.0343(11) Uani 1 1 d U . .
C92 C 0.2576(5) 0.8952(3) 0.4291(2) 0.0340(13) Uani 1 1 d U . .
C93 C 0.1690(5) 0.9321(4) 0.4488(2) 0.0372(13) Uani 1 1 d U . .
H93 H 0.1687 0.9371 0.4772 0.045 Uiso 1 1 calc R . .
C94 C 0.0792(6) 0.9623(4) 0.4275(2) 0.0428(15) Uani 1 1 d U . .
H94 H 0.0162 0.9866 0.4409 0.051 Uiso 1 1 calc R . .
C95 C 0.0840(6) 0.9560(4) 0.3860(2) 0.0401(14) Uani 1 1 d U . .
H95 H 0.0243 0.9771 0.3704 0.048 Uiso 1 1 calc R . .
C96 C 0.1757(6) 0.9191(4) 0.3674(2) 0.0391(14) Uani 1 1 d U . .
H96 H 0.1794 0.9159 0.3388 0.047 Uiso 1 1 calc R . .
Ag1' Ag 0.84093(4) 0.76427(2) 0.795483(16) 0.03572(10) Uani 1 1 d U . .
Pd1' Pd 0.87306(4) 0.85381(2) 0.650196(15) 0.03350(10) Uani 1 1 d U . .
Pd2' Pd 0.94706(4) 0.63063(2) 0.930320(14) 0.03039(9) Uani 1 1 d U . .
O1' O 0.9157(4) 0.9466(2) 0.71259(15) 0.0371(10) Uani 1 1 d U . .
O2' O 0.9072(3) 0.5461(2) 0.86346(13) 0.0310(9) Uani 1 1 d U . .
N1' N 0.8016(4) 0.8666(3) 0.70714(18) 0.0358(11) Uani 1 1 d U . .
N2' N 0.8635(4) 0.8773(3) 0.77145(18) 0.0347(11) Uani 1 1 d U . .
N3' N 0.8423(4) 0.6630(3) 0.88468(17) 0.0334(11) Uani 1 1 d U . .
N4' N 0.8413(4) 0.6455(3) 0.81558(16) 0.0296(10) Uani 1 1 d U . .
C1' C 1.0033(5) 0.7994(3) 0.6786(2) 0.0355(13) Uani 1 1 d U . .
C2' C 1.0548(5) 0.8321(3) 0.7061(2) 0.0357(13) Uani 1 1 d U . .
C3' C 1.1361(5) 0.7861(4) 0.7282(2) 0.0401(14) Uani 1 1 d U . .
H3' H 1.1693 0.8083 0.7478 0.048 Uiso 1 1 calc R . .
C4' C 1.1691(6) 0.7082(4) 0.7218(2) 0.0452(16) Uani 1 1 d U . .
H4' H 1.2242 0.6774 0.7370 0.054 Uiso 1 1 calc R . .
C5' C 1.1207(6) 0.6764(4) 0.6933(2) 0.0406(14) Uani 1 1 d U . .
H5' H 1.1449 0.6241 0.6878 0.049 Uiso 1 1 calc R . .
C6' C 1.0365(5) 0.7206(4) 0.6725(2) 0.0359(13) Uani 1 1 d U . .
H6' H 1.0011 0.6975 0.6539 0.043 Uiso 1 1 calc R . .
C7' C 0.8575(5) 0.8950(3) 0.7324(2) 0.0340(12) Uani 1 1 d U . .
C8' C 1.0287(6) 0.9163(4) 0.7131(2) 0.0400(15) Uani 1 1 d U . .
H8'1 H 1.0547 0.9239 0.7397 0.048 Uiso 1 1 calc R . .
H8'2 H 1.0658 0.9456 0.6918 0.048 Uiso 1 1 calc R . .
C11' C 0.7276(5) 0.8199(3) 0.7228(2) 0.0348(13) Uani 1 1 d DU . .
C12' C 0.6488(5) 0.8437(4) 0.7521(2) 0.0454(17) Uani 1 1 d DU . .
H12' H 0.6437 0.8927 0.7623 0.054 Uiso 1 1 calc R . .
C13' C 0.5782(6) 0.7970(4) 0.7664(3) 0.0502(18) Uani 1 1 d DU . .
H13' H 0.5240 0.8150 0.7859 0.060 Uiso 1 1 calc R . .
C14' C 0.5842(6) 0.7241(4) 0.7529(3) 0.0491(17) Uani 1 1 d DU . .
C15' C 0.6606(5) 0.7012(4) 0.7231(2) 0.0423(15) Uani 1 1 d DU . .
H15' H 0.6646 0.6524 0.7127 0.051 Uiso 1 1 calc R . .
C16' C 0.7314(5) 0.7478(3) 0.7080(2) 0.0390(14) Uani 1 1 d DU . .
H16' H 0.7831 0.7307 0.6875 0.047 Uiso 1 1 calc R . .
C17' C 0.5053(7) 0.6727(5) 0.7696(3) 0.064(2) Uani 1 1 d U . .
H17D H 0.4367 0.6922 0.7577 0.096 Uiso 1 1 calc R . .
H17E H 0.4974 0.6735 0.7992 0.096 Uiso 1 1 calc R . .
H17F H 0.5315 0.6198 0.7625 0.096 Uiso 1 1 calc R . .
C21' C 0.9063(5) 0.9236(3) 0.7966(2) 0.0360(13) Uani 1 1 d DU . .
C22' C 0.8693(6) 1.0029(4) 0.7957(2) 0.0438(16) Uani 1 1 d DU . .
H22' H 0.8180 1.0271 0.7770 0.053 Uiso 1 1 calc R . .
C23' C 0.9070(7) 1.0467(4) 0.8222(3) 0.055(2) Uani 1 1 d DU . .
H23' H 0.8808 1.1007 0.8211 0.066 Uiso 1 1 calc R . .
C24' C 0.9817(7) 1.0142(4) 0.8501(3) 0.057(2) Uani 1 1 d DU . .
C25' C 1.0197(6) 0.9353(5) 0.8503(2) 0.0494(16) Uani 1 1 d DU . .
H25' H 1.0721 0.9116 0.8688 0.059 Uiso 1 1 calc R . .
C26' C 0.9824(6) 0.8902(4) 0.8242(2) 0.0411(14) Uani 1 1 d DU . .
H26' H 1.0091 0.8363 0.8252 0.049 Uiso 1 1 calc R . .
C27' C 1.0234(10) 1.0631(7) 0.8782(3) 0.077(3) Uani 1 1 d U . .
H27D H 1.1004 1.0569 0.8740 0.116 Uiso 1 1 calc R . .
H27E H 1.0056 1.0466 0.9065 0.116 Uiso 1 1 calc R . .
H27F H 0.9913 1.1174 0.8723 0.116 Uiso 1 1 calc R . .
C31' C 1.0616(5) 0.6358(3) 0.8867(2) 0.0312(12) Uani 1 1 d U . .
C32' C 1.0788(5) 0.5906(3) 0.8537(2) 0.0314(12) Uani 1 1 d U . .
C33' C 1.1596(5) 0.6015(4) 0.8249(2) 0.0380(14) Uani 1 1 d U . .
H33' H 1.1700 0.5720 0.8020 0.046 Uiso 1 1 calc R . .
C34' C 1.2248(6) 0.6535(4) 0.8287(2) 0.0456(16) Uani 1 1 d U . .
H34' H 1.2812 0.6583 0.8093 0.055 Uiso 1 1 calc R . .
C35' C 1.2066(6) 0.6987(4) 0.8615(2) 0.0446(16) Uani 1 1 d U . .
H35' H 1.2500 0.7355 0.8644 0.054 Uiso 1 1 calc R . .
C36' C 1.1265(5) 0.6904(3) 0.8897(2) 0.0361(13) Uani 1 1 d U . .
H36' H 1.1144 0.7222 0.9117 0.043 Uiso 1 1 calc R . .
C37' C 0.8595(5) 0.6208(3) 0.8532(2) 0.0296(11) Uani 1 1 d U . .
C38' C 1.0153(5) 0.5293(3) 0.8474(2) 0.0319(12) Uani 1 1 d U . .
H38C H 1.0150 0.5235 0.8180 0.038 Uiso 1 1 calc R . .
H38D H 1.0505 0.4794 0.8606 0.038 Uiso 1 1 calc R . .
C41' C 0.7853(5) 0.7405(4) 0.8812(2) 0.0382(14) Uani 1 1 d DU . .
C42' C 0.6850(6) 0.7583(5) 0.8678(3) 0.084(4) Uani 1 1 d DU . .
H42' H 0.6517 0.7186 0.8600 0.101 Uiso 1 1 calc R . .
C43' C 0.6313(8) 0.8347(6) 0.8654(4) 0.103(5) Uani 1 1 d DU . .
H43' H 0.5622 0.8463 0.8552 0.124 Uiso 1 1 calc R . .
C44' C 0.6749(7) 0.8936(5) 0.8771(3) 0.061(2) Uani 1 1 d DU . .
C45' C 0.7750(6) 0.8741(4) 0.8903(2) 0.0480(17) Uani 1 1 d DU . .
H45' H 0.8079 0.9134 0.8987 0.058 Uiso 1 1 calc R . .
C46' C 0.8307(5) 0.7987(3) 0.8920(2) 0.0372(14) Uani 1 1 d DU . .
H46' H 0.9012 0.7877 0.9006 0.045 Uiso 1 1 calc R . .
C47' C 0.6133(10) 0.9755(6) 0.8750(4) 0.086(4) Uani 1 1 d U . .
H47D H 0.5815 0.9872 0.9020 0.129 Uiso 1 1 calc R . .
H47E H 0.5575 0.9810 0.8556 0.129 Uiso 1 1 calc R . .
H47F H 0.6611 1.0114 0.8661 0.129 Uiso 1 1 calc R . .
C51' C 0.8459(5) 0.5928(3) 0.78529(18) 0.0294(11) Uani 1 1 d DU . .
C52' C 0.7846(5) 0.5352(3) 0.7891(2) 0.0377(14) Uani 1 1 d DU . .
H52' H 0.7421 0.5285 0.8132 0.045 Uiso 1 1 calc R . .
C53' C 0.7852(6) 0.4876(4) 0.7580(2) 0.0395(14) Uani 1 1 d DU . .
H53' H 0.7434 0.4484 0.7611 0.047 Uiso 1 1 calc R . .
C54' C 0.8461(6) 0.4964(4) 0.7223(2) 0.0406(14) Uani 1 1 d DU . .
C55' C 0.9082(6) 0.5537(4) 0.7189(2) 0.0392(14) Uani 1 1 d DU . .
H55' H 0.9513 0.5603 0.6949 0.047 Uiso 1 1 calc R . .
C56' C 0.9076(5) 0.6006(4) 0.7500(2) 0.0356(13) Uani 1 1 d DU . .
H56' H 0.9504 0.6391 0.7471 0.043 Uiso 1 1 calc R . .
C57' C 0.8447(7) 0.4455(4) 0.6874(2) 0.0499(18) Uani 1 1 d U . .
H57D H 0.8049 0.4045 0.6964 0.075 Uiso 1 1 calc R . .
H57E H 0.9173 0.4225 0.6793 0.075 Uiso 1 1 calc R . .
H57F H 0.8109 0.4770 0.6642 0.075 Uiso 1 1 calc R . .
N61' N 0.7378(5) 0.9000(3) 0.6165(2) 0.0401(12) Uani 1 1 d U . .
C62' C 0.7560(6) 0.8960(4) 0.5756(2) 0.0441(15) Uani 1 1 d U . .
C63' C 0.6427(6) 0.9306(4) 0.6310(3) 0.0434(16) Uani 1 1 d U . .
H63' H 0.6311 0.9330 0.6595 0.052 Uiso 1 1 calc R . .
C64' C 0.5598(6) 0.9591(4) 0.6061(3) 0.0502(18) Uani 1 1 d U . .
H64' H 0.4922 0.9808 0.6173 0.060 Uiso 1 1 calc R . .
C65' C 0.5768(7) 0.9552(4) 0.5656(3) 0.0540(19) Uani 1 1 d U . .
H65' H 0.5207 0.9749 0.5481 0.065 Uiso 1 1 calc R . .
C66' C 0.6748(7) 0.9231(5) 0.5494(3) 0.0524(18) Uani 1 1 d U . .
H66' H 0.6864 0.9196 0.5209 0.063 Uiso 1 1 calc R . .
N71' N 0.9366(5) 0.8436(3) 0.59221(19) 0.0395(12) Uani 1 1 d U . .
C72' C 0.8650(6) 0.8646(4) 0.5626(2) 0.0432(14) Uani 1 1 d U . .
C73' C 0.8985(8) 0.8571(4) 0.5220(3) 0.0541(18) Uani 1 1 d U . .
H73' H 0.8489 0.8704 0.5013 0.065 Uiso 1 1 calc R . .
C74' C 1.0027(8) 0.8305(5) 0.5120(3) 0.061(2) Uani 1 1 d U . .
H74' H 1.0254 0.8256 0.4843 0.073 Uiso 1 1 calc R . .
C75' C 1.0748(8) 0.8110(5) 0.5419(3) 0.0563(19) Uani 1 1 d U . .
H75' H 1.1474 0.7921 0.5355 0.068 Uiso 1 1 calc R . .
C76' C 1.0385(6) 0.8195(4) 0.5812(2) 0.0424(15) Uani 1 1 d U . .
H76' H 1.0882 0.8078 0.6019 0.051 Uiso 1 1 calc R . .
N81' N 0.8341(5) 0.6244(4) 0.97883(18) 0.0421(13) Uani 1 1 d U . .
C82' C 0.8760(6) 0.5979(4) 1.0152(2) 0.0399(14) Uani 1 1 d U . .
C83' C 0.8096(6) 0.5861(5) 1.0494(2) 0.0490(18) Uani 1 1 d U . .
H83' H 0.8386 0.5661 1.0748 0.059 Uiso 1 1 calc R . .
C84' C 0.7016(7) 0.6038(6) 1.0458(3) 0.065(2) Uani 1 1 d U . .
H84' H 0.6559 0.5971 1.0691 0.078 Uiso 1 1 calc R . .
C85' C 0.6597(7) 0.6308(7) 1.0094(3) 0.074(3) Uani 1 1 d U . .
H85' H 0.5854 0.6433 1.0068 0.089 Uiso 1 1 calc R . .
C86' C 0.7301(6) 0.6396(6) 0.9758(2) 0.059(2) Uani 1 1 d U . .
H86' H 0.7021 0.6571 0.9500 0.071 Uiso 1 1 calc R . .
N91' N 1.0435(5) 0.6005(3) 0.97893(16) 0.0333(10) Uani 1 1 d U . .
C92' C 0.9917(5) 0.5858(3) 1.0152(2) 0.0334(12) Uani 1 1 d U . .
C93' C 1.0468(6) 0.5626(4) 1.0500(2) 0.0395(14) Uani 1 1 d U . .
H93' H 1.0103 0.5521 1.0751 0.047 Uiso 1 1 calc R . .
C94' C 1.1574(6) 0.5547(4) 1.0480(2) 0.0435(15) Uani 1 1 d U . .
H94' H 1.1966 0.5373 1.0715 0.052 Uiso 1 1 calc R . .
C95' C 1.2081(6) 0.5723(4) 1.0117(2) 0.0433(15) Uani 1 1 d U . .
H95' H 1.2825 0.5700 1.0100 0.052 Uiso 1 1 calc R . .
C96' C 1.1490(5) 0.5935(4) 0.9775(2) 0.0384(14) Uani 1 1 d U . .
H96' H 1.1846 0.6034 0.9521 0.046 Uiso 1 1 calc R . .
S1 S -0.2250(3) 1.0227(2) 0.41987(13) 0.0363(10) Uani 0.537(8) 1 d PDU A 1
O11 O -0.3342(10) 1.0573(11) 0.4220(6) 0.047(4) Uani 0.537(8) 1 d PDU A 1
O12 O -0.1752(15) 1.0132(14) 0.4575(4) 0.068(8) Uani 0.537(8) 1 d PDU A 1
O13 O -0.1653(7) 1.0518(5) 0.3865(3) 0.045(2) Uani 0.537(8) 1 d PD A 1
C101 C -0.2307(9) 0.9261(6) 0.4071(3) 0.048(3) Uani 0.537(8) 1 d PD A 1
F11 F -0.1319(10) 0.8858(7) 0.4000(5) 0.057(4) Uani 0.537(8) 1 d PDU A 1
F12 F -0.2837(13) 0.9297(10) 0.3727(4) 0.058(4) Uani 0.537(8) 1 d PDU A 1
F13 F -0.2820(8) 0.8882(6) 0.4367(3) 0.067(3) Uani 0.537(8) 1 d PD A 1
S1' S -0.2602(4) 0.9992(3) 0.43639(16) 0.0494(14) Uani 0.463(8) 1 d PDU A 2
O11' O -0.3327(19) 1.0683(13) 0.4274(9) 0.072(9) Uani 0.463(8) 1 d PDU A 2
O12' O -0.1674(11) 1.0088(11) 0.4546(5) 0.035(5) Uani 0.463(8) 1 d PDU A 2
O13' O -0.3078(12) 0.9392(9) 0.4559(4) 0.073(5) Uani 0.463(8) 1 d PD A 2
C10' C -0.2133(12) 0.9636(9) 0.3879(4) 0.068(6) Uani 0.463(8) 1 d PD A 2
F11' F -0.1437(19) 0.8966(12) 0.3959(9) 0.110(9) Uani 0.463(8) 1 d PDU A 2
F12' F -0.2928(16) 0.9495(17) 0.3671(6) 0.101(9) Uani 0.463(8) 1 d PDU A 2
F13' F -0.1696(10) 1.0160(9) 0.3635(4) 0.080(4) Uani 0.463(8) 1 d PD A 2
S2 S 1.3640(2) 0.74125(11) 0.97345(8) 0.0634(6) Uani 1 1 d D . .
O21 O 1.3807(15) 0.7829(9) 1.0095(4) 0.329(17) Uani 1 1 d D . .
O22 O 1.2598(6) 0.7693(6) 0.9641(4) 0.191(8) Uani 1 1 d D . .
O23 O 1.4049(6) 0.6651(4) 0.9819(5) 0.162(6) Uani 1 1 d D . .
C201 C 1.4542(12) 0.7863(6) 0.9399(3) 0.210(16) Uani 1 1 d D . .
F21 F 1.4366(8) 0.7489(6) 0.9082(5) 0.216(8) Uani 1 1 d D . .
F22 F 1.4172(10) 0.8643(4) 0.9400(5) 0.308(13) Uani 1 1 d D . .
F23 F 1.5475(7) 0.7763(5) 0.9591(5) 0.287(13) Uani 1 1 d D . .
C901 C 0.4895(7) 0.4492(5) 1.0809(3) 0.041(2) Uiso 0.710(7) 1 d PDU B 1
H901 H 0.5020 0.4022 1.0653 0.049 Uiso 0.710(7) 1 calc PR B 1
Cl1 Cl 0.5981(3) 0.44312(18) 1.11092(13) 0.0742(13) Uani 0.710(7) 1 d PDU B 1
Cl2 Cl 0.3745(3) 0.4474(4) 1.11176(13) 0.0876(16) Uani 0.710(7) 1 d PDU B 1
Cl3 Cl 0.4717(4) 0.5293(3) 1.0457(2) 0.108(2) Uani 0.710(7) 1 d PDU B 1
C907 C 0.4846(13) 0.4548(9) 1.0972(5) 0.040(5) Uiso 0.290(7) 1 d PDU B 2
H907 H 0.5418 0.4188 1.0831 0.048 Uiso 0.290(7) 1 calc PR B 2
Cl1' Cl 0.5248(13) 0.4758(9) 1.1442(5) 0.127(5) Uiso 0.290(7) 1 d PD B 2
Cl2' Cl 0.4538(5) 0.5448(3) 1.06826(19) 0.0345(15) Uiso 0.290(7) 1 d PDU B 2
Cl3' Cl 0.3706(6) 0.4135(4) 1.1077(2) 0.0361(16) Uiso 0.290(7) 1 d PDU B 2
C902 C 1.4228(7) 0.7928(6) 0.6310(3) 0.073(3) Uiso 1 1 d D . .
H902 H 1.4028 0.8401 0.6121 0.088 Uiso 1 1 calc R . .
Cl4 Cl 1.5502(2) 0.74707(14) 0.61591(8) 0.0737(6) Uani 1 1 d DU . .
Cl5 Cl 1.4216(3) 0.8216(3) 0.68017(11) 0.1164(13) Uani 1 1 d DU . .
Cl6 Cl 1.3313(3) 0.7324(2) 0.62694(16) 0.1269(15) Uani 1 1 d DU . .
C903 C 0.2908(9) 0.6816(6) 0.4167(3) 0.093(4) Uiso 1 1 d D . .
H903 H 0.3261 0.7242 0.4039 0.112 Uiso 1 1 calc R . .
Cl7 Cl 0.3210(8) 0.6654(3) 0.46739(14) 0.221(4) Uani 1 1 d DU . .
Cl8 Cl 0.1526(4) 0.7095(2) 0.4114(2) 0.167(3) Uani 1 1 d DU . .
Cl9 Cl 0.3374(3) 0.59954(16) 0.39136(10) 0.0906(9) Uani 1 1 d DU . .
C904 C 0.8783(9) 0.5992(6) 0.5665(4) 0.098(4) Uiso 1 1 d D . .
H904 H 0.8341 0.6216 0.5431 0.117 Uiso 1 1 calc R . .
Cl10 Cl 1.0035(5) 0.6256(3) 0.55993(19) 0.180(3) Uani 1 1 d DU . .
Cl11 Cl 0.8160(5) 0.6337(3) 0.61278(16) 0.176(3) Uani 1 1 d DU . .
Cl12 Cl 0.8967(3) 0.49669(19) 0.57009(12) 0.1066(11) Uani 1 1 d DU . .
C905 C 0.7339(12) 1.0429(11) 0.9970(4) 0.103(7) Uiso 0.664(7) 1 d PD C 1
H905 H 0.6962 1.0964 1.0016 0.124 Uiso 0.664(7) 1 calc PR C 1
Cl13 Cl 0.6406(5) 0.9842(4) 0.9944(2) 0.126(3) Uani 0.664(7) 1 d PDU C 1
Cl14 Cl 0.8080(7) 1.0452(5) 0.9513(3) 0.170(5) Uani 0.664(7) 1 d PDU C 1
Cl15 Cl 0.8124(7) 1.0064(5) 1.0389(3) 0.161(4) Uani 0.664(7) 1 d PDU C 1
C906 C 0.786(3) 1.0356(17) 1.0068(10) 0.060(7) Uiso 0.336(7) 1 d P C 2
H906 H 0.7582 1.0914 1.0103 0.072 Uiso 0.336(7) 1 calc PR C 2
Cl16 Cl 0.9228(7) 1.0190(4) 1.0098(3) 0.082(3) Uani 0.336(7) 1 d PU . 2
Cl17 Cl 0.7339(9) 0.9785(5) 1.0494(4) 0.097(4) Uani 0.336(7) 1 d PU C 2
Cl18 Cl 0.7522(15) 1.0167(8) 0.9641(4) 0.123(6) Uani 0.336(7) 1 d PU C 2
C911 C 0.5954(15) 0.5914(11) 0.5377(6) 0.143(7) Uiso 1 1 d D . .
H91A H 0.5427 0.5577 0.5402 0.214 Uiso 1 1 calc R . .
H91B H 0.5599 0.6448 0.5405 0.214 Uiso 1 1 calc R . .
H91C H 0.6460 0.5753 0.5591 0.214 Uiso 1 1 calc R . .
C912 C 0.6527(12) 0.5858(9) 0.4970(5) 0.110(5) Uiso 1 1 d D . .
H91D H 0.6892 0.5322 0.4937 0.133 Uiso 1 1 calc R . .
H91E H 0.6027 0.6021 0.4750 0.133 Uiso 1 1 calc R . .
O913 O 0.7293(7) 0.6373(5) 0.4958(3) 0.094(2) Uiso 1 1 d D . .
C914 C 0.7883(13) 0.6400(9) 0.4562(5) 0.115(5) Uiso 1 1 d D . .
H91F H 0.7390 0.6585 0.4341 0.137 Uiso 1 1 calc R . .
H91G H 0.8274 0.5879 0.4508 0.137 Uiso 1 1 calc R . .
C915 C 0.8633(12) 0.6937(8) 0.4580(5) 0.107(4) Uiso 1 1 d D . .
H91H H 0.9028 0.6977 0.4318 0.161 Uiso 1 1 calc R . .
H91I H 0.9126 0.6742 0.4795 0.161 Uiso 1 1 calc R . .
H91J H 0.8238 0.7448 0.4638 0.161 Uiso 1 1 calc R . .
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'
N N 0.0311 0.0180 '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'
F F 0.0727 0.0534 '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'
Pd Pd 0.1215 3.9337 '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'
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_3
N4 Ag1 N2 167.5(2) .
C1 Pd1 N1 88.7(2) .
C1 Pd1 N71 96.5(3) .
N1 Pd1 N71 171.9(2) .
C1 Pd1 N61 173.1(2) .
N1 Pd1 N61 95.7(2) .
N71 Pd1 N61 78.5(2) .
C31 Pd2 N91 97.9(2) .
C31 Pd2 N3 86.4(3) .
N91 Pd2 N3 168.8(2) .
C31 Pd2 N81 171.3(3) .
N91 Pd2 N81 79.7(2) .
N3 Pd2 N81 97.5(2) .
C7 O1 C8 112.9(4) .
C37 O2 C38 112.0(5) .
C7 N1 C11 118.2(5) .
C7 N1 Pd1 117.3(4) .
C11 N1 Pd1 116.5(4) .
C7 N2 C21 123.2(5) .
C7 N2 Ag1 120.8(4) .
C21 N2 Ag1 114.5(4) .
C37 N3 C41 121.9(6) .
C37 N3 Pd2 112.6(4) .
C41 N3 Pd2 123.4(5) .
C37 N4 C51 119.9(5) .
C37 N4 Ag1 120.1(4) .
C51 N4 Ag1 117.4(4) .
C6 C1 C2 118.0(6) .
C6 C1 Pd1 114.8(5) .
C2 C1 Pd1 127.0(5) .
C3 C2 C1 119.7(7) .
C3 C2 C8 116.5(7) .
C1 C2 C8 123.9(6) .
C4 C3 C2 120.9(8) .
C5 C4 C3 120.3(7) .
C4 C5 C6 120.0(7) .
C5 C6 C1 121.0(7) .
N2 C7 N1 126.4(6) .
N2 C7 O1 122.1(6) .
N1 C7 O1 111.4(5) .
O1 C8 C2 114.4(5) .
C12 C11 C16 119.1(6) .
C12 C11 N1 120.6(5) .
C16 C11 N1 120.3(6) .
C11 C12 C13 121.0(6) .
C14 C13 C12 120.4(7) .
C15 C14 C13 118.1(7) .
C15 C14 C17 120.9(6) .
C13 C14 C17 121.0(7) .
C14 C15 C16 121.4(6) .
C11 C16 C15 120.1(6) .
C22 C21 C26 118.7(6) .
C22 C21 N2 122.1(5) .
C26 C21 N2 118.9(5) .
C23 C22 C21 119.6(6) .
C24 C23 C22 122.7(6) .
C23 C24 C25 117.7(6) .
C23 C24 C27 121.8(6) .
C25 C24 C27 120.4(6) .
C26 C25 C24 121.0(6) .
C25 C26 C21 120.2(6) .
C36 C31 C32 118.6(6) .
C36 C31 Pd2 119.2(5) .
C32 C31 Pd2 122.0(5) .
C33 C32 C31 119.6(7) .
C33 C32 C38 119.2(7) .
C31 C32 C38 121.2(6) .
C34 C33 C32 120.9(7) .
C35 C34 C33 119.0(7) .
C36 C35 C34 121.0(7) .
C35 C36 C31 120.8(7) .
N4 C37 N3 128.1(6) .
N4 C37 O2 119.7(7) .
N3 C37 O2 112.2(6) .
O2 C38 C32 113.3(6) .
C42 C41 C46 118.6(7) .
C42 C41 N3 122.1(7) .
C46 C41 N3 119.2(6) .
C41 C42 C43 120.3(8) .
C44 C43 C42 121.4(8) .
C43 C44 C45 117.8(7) .
C43 C44 C47 121.6(8) .
C45 C44 C47 120.6(9) .
C46 C45 C44 121.8(8) .
C45 C46 C41 120.0(7) .
C52 C51 C56 118.1(8) .
C52 C51 N4 121.9(7) .
C56 C51 N4 120.0(5) .
C53 C52 C51 120.7(9) .
C54 C53 C52 121.0(8) .
C53 C54 C55 119.7(8) .
C53 C54 C57 121.0(9) .
C55 C54 C57 119.3(10) .
C56 C55 C54 119.6(8) .
C55 C56 C51 120.8(7) .
C62 N61 C66 120.1(6) .
C62 N61 Pd1 114.7(5) .
C66 N61 Pd1 125.0(5) .
N61 C62 C63 121.6(8) .
N61 C62 C72 114.9(6) .
C63 C62 C72 123.4(7) .
C64 C63 C62 118.3(8) .
C63 C64 C65 121.2(8) .
C64 C65 C66 118.2(8) .
N61 C66 C65 120.5(7) .
C76 N71 C72 118.3(6) .
C76 N71 Pd1 126.5(5) .
C72 N71 Pd1 115.2(5) .
C73 C72 N71 120.7(8) .
C73 C72 C62 123.5(7) .
N71 C72 C62 115.7(6) .
C72 C73 C74 121.0(8) .
C75 C74 C73 118.8(8) .
C74 C75 C76 117.6(9) .
N71 C76 C75 123.5(8) .
C86 N81 C82 118.7(6) .
C86 N81 Pd2 127.3(5) .
C82 N81 Pd2 113.4(5) .
N81 C82 C83 121.4(6) .
N81 C82 C92 114.8(6) .
C83 C82 C92 123.9(6) .
C82 C83 C84 119.2(7) .
C85 C84 C83 119.7(7) .
C84 C85 C86 118.2(7) .
N81 C86 C85 122.7(7) .
C96 N91 C92 119.9(6) .
C96 N91 Pd2 123.6(5) .
C92 N91 Pd2 115.4(4) .
N91 C92 C93 121.2(6) .
N91 C92 C82 116.2(6) .
C93 C92 C82 122.6(6) .
C92 C93 C94 119.9(7) .
C95 C94 C93 118.2(6) .
C96 C95 C94 119.6(7) .
N91 C96 C95 121.1(7) .
N4' Ag1' N2' 171.5(2) .
C1' Pd1' N71' 96.4(3) .
C1' Pd1' N1' 86.7(3) .
N71' Pd1' N1' 177.0(2) .
C1' Pd1' N61' 173.6(2) .
N71' Pd1' N61' 79.8(3) .
N1' Pd1' N61' 97.2(2) .
C31' Pd2' N3' 86.3(2) .
C31' Pd2' N91' 97.5(2) .
N3' Pd2' N91' 176.0(2) .
C31' Pd2' N81' 176.4(3) .
N3' Pd2' N81' 97.2(2) .
N91' Pd2' N81' 79.0(2) .
C7' O1' C8' 111.6(5) .
C37' O2' C38' 112.3(4) .
C7' N1' C11' 119.9(6) .
C7' N1' Pd1' 113.9(5) .
C11' N1' Pd1' 120.8(4) .
C7' N2' C21' 121.2(5) .
C7' N2' Ag1' 118.5(4) .
C21' N2' Ag1' 118.9(4) .
C37' N3' C41' 121.6(6) .
C37' N3' Pd2' 115.6(4) .
C41' N3' Pd2' 118.5(4) .
C37' N4' C51' 120.8(5) .
C37' N4' Ag1' 120.1(4) .
C51' N4' Ag1' 117.6(4) .
C2' C1' C6' 119.0(6) .
C2' C1' Pd1' 124.5(5) .
C6' C1' Pd1' 116.2(5) .
C1' C2' C3' 119.7(6) .
C1' C2' C8' 122.8(6) .
C3' C2' C8' 117.5(6) .
C4' C3' C2' 121.0(7) .
C5' C4' C3' 119.2(7) .
C4' C5' C6' 120.3(6) .
C5' C6' C1' 120.6(7) .
N2' C7' N1' 126.9(6) .
N2' C7' O1' 120.6(6) .
N1' C7' O1' 112.4(6) .
O1' C8' C2' 112.3(5) .
C12' C11' C16' 117.9(6) .
C12' C11' N1' 122.5(5) .
C16' C11' N1' 119.6(6) .
C13' C12' C11' 120.8(6) .
C12' C13' C14' 121.5(7) .
C15' C14' C13' 117.7(7) .
C15' C14' C17' 121.7(7) .
C13' C14' C17' 120.6(7) .
C14' C15' C16' 121.5(6) .
C15' C16' C11' 120.5(6) .
C22' C21' C26' 118.3(7) .
C22' C21' N2' 120.9(6) .
C26' C21' N2' 120.7(5) .
C23' C22' C21' 120.3(7) .
C24' C23' C22' 121.9(7) .
C23' C24' C25' 117.5(8) .
C23' C24' C27' 121.3(8) .
C25' C24' C27' 121.2(8) .
C24' C25' C26' 121.4(7) .
C25' C26' C21' 120.5(6) .
C32' C31' C36' 118.7(6) .
C32' C31' Pd2' 124.4(5) .
C36' C31' Pd2' 116.8(5) .
C31' C32' C33' 118.6(6) .
C31' C32' C38' 123.7(6) .
C33' C32' C38' 117.6(6) .
C34' C33' C32' 122.2(7) .
C33' C34' C35' 118.7(7) .
C36' C35' C34' 120.3(6) .
C35' C36' C31' 121.4(6) .
N4' C37' N3' 126.0(5) .
N4' C37' O2' 121.2(5) .
N3' C37' O2' 112.7(6) .
O2' C38' C32' 113.7(5) .
C46' C41' C42' 118.4(6) .
C46' C41' N3' 119.9(6) .
C42' C41' N3' 121.7(6) .
C41' C42' C43' 120.0(8) .
C44' C43' C42' 122.1(8) .
C45' C44' C43' 116.4(7) .
C45' C44' C47' 122.9(8) .
C43' C44' C47' 120.7(8) .
C44' C45' C46' 122.3(7) .
C41' C46' C45' 120.7(7) .
C56' C51' C52' 118.3(6) .
C56' C51' N4' 120.0(5) .
C52' C51' N4' 121.7(5) .
C53' C52' C51' 120.6(6) .
C54' C53' C52' 120.9(6) .
C53' C54' C55' 118.3(6) .
C53' C54' C57' 121.1(6) .
C55' C54' C57' 120.6(6) .
C56' C55' C54' 120.6(6) .
C55' C56' C51' 121.4(6) .
C63' N61' C62' 119.5(6) .
C63' N61' Pd1' 127.3(5) .
C62' N61' Pd1' 113.2(5) .
N61' C62' C66' 120.2(8) .
N61' C62' C72' 115.2(6) .
C66' C62' C72' 124.6(8) .
N61' C63' C64' 122.5(8) .
C65' C64' C63' 118.5(8) .
C64' C65' C66' 120.8(8) .
C65' C66' C62' 118.6(8) .
C76' N71' C72' 118.8(7) .
C76' N71' Pd1' 126.9(5) .
C72' N71' Pd1' 114.3(5) .
N71' C72' C73' 119.4(8) .
N71' C72' C62' 117.3(7) .
C73' C72' C62' 123.3(7) .
C74' C73' C72' 120.1(9) .
C73' C74' C75' 120.1(9) .
C76' C75' C74' 117.7(9) .
N71' C76' C75' 123.8(8) .
C86' N81' C82' 119.9(7) .
C86' N81' Pd2' 125.7(5) .
C82' N81' Pd2' 114.3(5) .
N81' C82' C83' 120.1(7) .
N81' C82' C92' 115.1(6) .
C83' C82' C92' 124.7(7) .
C84' C83' C82' 119.1(8) .
C85' C84' C83' 120.7(8) .
C84' C85' C86' 117.8(9) .
N81' C86' C85' 122.3(8) .
C96' N91' C92' 119.1(6) .
C96' N91' Pd2' 126.2(5) .
C92' N91' Pd2' 114.6(5) .
N91' C92' C93' 120.7(6) .
N91' C92' C82' 116.6(6) .
C93' C92' C82' 122.7(6) .
C92' C93' C94' 119.5(7) .
C95' C94' C93' 119.2(7) .
C94' C95' C96' 118.8(7) .
N91' C96' C95' 122.6(7) .
O12 S1 O13 114.5(9) .
O12 S1 O11 114.5(9) .
O13 S1 O11 114.9(8) .
O12 S1 C101 105.9(10) .
O13 S1 C101 103.3(6) .
O11 S1 C101 101.8(10) .
F13 C101 F12 107.4(10) .
F13 C101 F11 110.0(10) .
F12 C101 F11 107.4(10) .
F13 C101 S1 111.4(9) .
F12 C101 S1 110.0(10) .
F11 C101 S1 110.4(9) .
O13' S1' O11' 113.6(15) .
O13' S1' O12' 113.8(10) .
O11' S1' O12' 114.8(15) .
O13' S1' C10' 103.1(9) .
O11' S1' C10' 105.7(13) .
O12' S1' C10' 104.3(9) .
F12' C10' F13' 105.0(16) .
F12' C10' F11' 109.3(17) .
F13' C10' F11' 112.4(17) .
F12' C10' S1' 111.6(12) .
F13' C10' S1' 111.9(11) .
F11' C10' S1' 106.7(14) .
O23 S2 O22 124.0(7) .
O23 S2 O21 107.4(9) .
O22 S2 O21 104.7(9) .
O23 S2 C201 110.2(5) .
O22 S2 C201 111.6(6) .
O21 S2 C201 94.3(8) .
F21 C201 F23 125.8(13) .
F21 C201 F22 119.6(13) .
F23 C201 F22 103.1(12) .
F21 C201 S2 92.9(10) .
F23 C201 S2 107.0(8) .
F22 C201 S2 105.6(8) .
Cl3 C901 Cl1 113.8(5) .
Cl3 C901 Cl2 110.3(5) .
Cl1 C901 Cl2 110.1(6) .
Cl3' C907 Cl1' 106.7(11) .
Cl3' C907 Cl2' 110.7(9) .
Cl1' C907 Cl2' 105.7(10) .
Cl5 C902 Cl4 110.3(5) .
Cl5 C902 Cl6 111.9(6) .
Cl4 C902 Cl6 110.4(5) .
Cl7 C903 Cl9 110.5(6) .
Cl7 C903 Cl8 111.2(7) .
Cl9 C903 Cl8 109.5(6) .
Cl10 C904 Cl12 108.1(6) .
Cl10 C904 Cl11 108.8(7) .
Cl12 C904 Cl11 109.2(6) .
Cl14 C905 Cl13 109.4(9) .
Cl14 C905 Cl15 112.5(11) .
Cl13 C905 Cl15 108.1(9) .
Cl18 C906 Cl16 111.7(19) .
Cl18 C906 Cl17 113(2) .
Cl16 C906 Cl17 107.3(19) .
C906 Cl16 Cl16 155.4(14) 2_777
O913 C912 C911 106.0(12) .
C912 O913 C914 111.5(11) .
O913 C914 C915 107.3(12) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N4 2.121(5) .
Ag1 N2 2.128(4) .
Pd1 C1 2.014(7) .
Pd1 N1 2.044(5) .
Pd1 N71 2.070(5) .
Pd1 N61 2.115(5) .
Pd2 C31 2.009(6) .
Pd2 N91 2.045(5) .
Pd2 N3 2.054(6) .
Pd2 N81 2.117(6) .
O1 C7 1.368(7) .
O1 C8 1.439(8) .
O2 C37 1.390(7) .
O2 C38 1.456(9) .
N1 C7 1.341(8) .
N1 C11 1.422(8) .
N2 C7 1.292(8) .
N2 C21 1.418(8) .
N3 C37 1.322(10) .
N3 C41 1.416(8) .
N4 C37 1.310(9) .
N4 C51 1.415(10) .
C1 C6 1.404(9) .
C1 C2 1.411(10) .
C2 C3 1.394(10) .
C2 C8 1.513(9) .
C3 C4 1.380(11) .
C4 C5 1.368(12) .
C5 C6 1.395(11) .
C11 C12 1.379(9) .
C11 C16 1.393(8) .
C12 C13 1.405(9) .
C13 C14 1.403(9) .
C14 C15 1.387(9) .
C14 C17 1.499(10) .
C15 C16 1.404(9) .
C21 C22 1.403(7) .
C21 C26 1.406(8) .
C22 C23 1.388(9) .
C23 C24 1.377(8) .
C24 C25 1.404(8) .
C24 C27 1.503(10) .
C25 C26 1.395(9) .
C31 C36 1.400(10) .
C31 C32 1.406(10) .
C32 C33 1.400(10) .
C32 C38 1.494(10) .
C33 C34 1.386(11) .
C34 C35 1.386(11) .
C35 C36 1.376(10) .
C41 C42 1.391(9) .
C41 C46 1.395(10) .
C42 C43 1.398(9) .
C43 C44 1.380(11) .
C44 C45 1.390(11) .
C44 C47 1.516(10) .
C45 C46 1.387(9) .
C51 C52 1.400(9) .
C51 C56 1.401(10) .
C52 C53 1.373(12) .
C53 C54 1.367(12) .
C54 C55 1.403(11) .
C54 C57 1.521(12) .
C55 C56 1.382(10) .
N61 C62 1.353(9) .
N61 C66 1.355(10) .
C62 C63 1.383(10) .
C62 C72 1.482(11) .
C63 C64 1.367(13) .
C64 C65 1.389(12) .
C65 C66 1.398(10) .
N71 C76 1.337(10) .
N71 C72 1.372(10) .
C72 C73 1.351(11) .
C73 C74 1.395(14) .
C74 C75 1.379(13) .
C75 C76 1.391(11) .
N81 C86 1.335(9) .
N81 C82 1.354(9) .
C82 C83 1.379(10) .
C82 C92 1.499(9) .
C83 C84 1.380(11) .
C84 C85 1.374(12) .
C85 C86 1.386(11) .
N91 C96 1.342(9) .
N91 C92 1.346(9) .
C92 C93 1.365(9) .
C93 C94 1.388(10) .
C94 C95 1.383(10) .
C95 C96 1.378(10) .
Ag1' N4' 2.146(5) .
Ag1' N2' 2.150(5) .
Pd1' C1' 2.014(7) .
Pd1' N71' 2.047(6) .
Pd1' N1' 2.056(6) .
Pd1' N61' 2.119(6) .
Pd2' C31' 2.007(6) .
Pd2' N3' 2.059(5) .
Pd2' N91' 2.064(6) .
Pd2' N81' 2.107(6) .
O1' C7' 1.382(8) .
O1' C8' 1.455(8) .
O2' C37' 1.370(7) .
O2' C38' 1.446(7) .
N1' C7' 1.326(9) .
N1' C11' 1.421(9) .
N2' C7' 1.306(9) .
N2' C21' 1.421(9) .
N3' C37' 1.320(8) .
N3' C41' 1.427(8) .
N4' C37' 1.302(8) .
N4' C51' 1.422(8) .
C1' C2' 1.386(10) .
C1' C6' 1.410(9) .
C2' C3' 1.401(10) .
C2' C8' 1.500(9) .
C3' C4' 1.397(10) .
C4' C5' 1.378(11) .
C5' C6' 1.395(10) .
C11' C12' 1.391(9) .
C11' C16' 1.401(8) .
C12' C13' 1.375(10) .
C13' C14' 1.392(9) .
C14' C15' 1.380(9) .
C14' C17' 1.533(10) .
C15' C16' 1.383(9) .
C21' C22' 1.394(8) .
C21' C26' 1.395(9) .
C22' C23' 1.387(10) .
C23' C24' 1.384(11) .
C24' C25' 1.390(10) .
C24' C27' 1.514(12) .
C25' C26' 1.392(10) .
C31' C32' 1.394(9) .
C31' C36' 1.406(9) .
C32' C33' 1.396(9) .
C32' C38' 1.513(9) .
C33' C34' 1.377(10) .
C34' C35' 1.389(11) .
C35' C36' 1.366(10) .
C41' C46' 1.360(9) .
C41' C42' 1.366(9) .
C42' C43' 1.398(10) .
C43' C44' 1.370(11) .
C44' C45' 1.360(10) .
C44' C47' 1.515(10) .
C45' C46' 1.390(8) .
C51' C56' 1.382(8) .
C51' C52' 1.396(8) .
C52' C53' 1.387(9) .
C53' C54' 1.387(9) .
C54' C55' 1.400(9) .
C54' C57' 1.532(10) .
C55' C56' 1.378(9) .
N61' C63' 1.322(9) .
N61' C62' 1.365(10) .
C62' C66' 1.387(11) .
C62' C72' 1.464(11) .
C63' C64' 1.380(10) .
C64' C65' 1.349(13) .
C65' C66' 1.382(13) .
N71' C76' 1.340(9) .
N71' C72' 1.366(10) .
C72' C73' 1.395(12) .
C73' C74' 1.368(13) .
C74' C75' 1.378(14) .
C75' C76' 1.364(12) .
N81' C86' 1.325(10) .
N81' C82' 1.356(10) .
C82' C83' 1.401(10) .
C82' C92' 1.466(10) .
C83' C84' 1.378(12) .
C84' C85' 1.361(14) .
C85' C86' 1.407(11) .
N91' C96' 1.341(9) .
N91' C92' 1.364(9) .
C92' C93' 1.379(10) .
C93' C94' 1.404(11) .
C94' C95' 1.367(11) .
C95' C96' 1.388(10) .
S1 O12 1.417(12) .
S1 O13 1.419(9) .
S1 O11 1.426(11) .
S1 C101 1.814(11) .
C101 F13 1.346(11) .
C101 F12 1.355(12) .
C101 F11 1.356(12) .
S1' O13' 1.413(11) .
S1' O11' 1.413(13) .
S1' O12' 1.417(10) .
S1' C10' 1.803(13) .
C10' F12' 1.343(13) .
C10' F13' 1.353(13) .
C10' F11' 1.362(13) .
S2 O23 1.363(7) .
S2 O22 1.385(9) .
S2 O21 1.506(12) .
S2 C201 1.802(13) .
C201 F21 1.345(11) .
C201 F23 1.370(13) .
C201 F22 1.375(10) .
C901 Cl3 1.741(9) .
C901 Cl1 1.749(9) .
C901 Cl2 1.750(9) .
C907 Cl3' 1.763(13) .
C907 Cl1' 1.764(13) .
C907 Cl2' 1.773(13) .
C902 Cl5 1.747(9) .
C902 Cl4 1.752(9) .
C902 Cl6 1.754(9) .
C903 Cl7 1.732(10) .
C903 Cl9 1.734(10) .
C903 Cl8 1.772(10) .
C904 Cl10 1.758(10) .
C904 Cl12 1.780(10) .
C904 Cl11 1.785(10) .
C905 Cl14 1.737(13) .
C905 Cl13 1.741(12) .
C905 Cl15 1.768(13) .
C906 Cl18 1.59(3) .
C906 Cl16 1.74(3) .
C906 Cl17 1.82(3) .
Cl16 Cl16 2.062(17) 2_777
C911 C912 1.497(17) .
C912 O913 1.462(14) .
O913 C914 1.476(14) .
C914 C915 1.486(16) .
