#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:35:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179852 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/48/7014835.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_7014835
loop_
_publ_author_name
'Gu, Shaojin'
'Xu, Daichao'
'Chen, Wanzhi'
_publ_section_title
;
 Heterobimetallic complexes containing an N-heterocyclic carbene based
 multidentate ligand and catalyzed tandem click/Sonogashira reactions.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1576
_journal_page_last               1583
_journal_paper_doi               10.1039/c0dt01211d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C42 H30 Ag F18 N10 P3 Pd'
_chemical_formula_weight         1323.94
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.547(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.7545(19)
_cell_length_b                   8.1456(14)
_cell_length_c                   28.866(3)
_cell_measurement_temperature    298(2)
_cell_volume                     4864.7(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0852
_diffrn_reflns_av_sigmaI/netI    0.0930
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            23846
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    0.985
_exptl_absorpt_correction_T_max  0.7566
_exptl_absorpt_correction_T_min  0.6493
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2608
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.707
_refine_diff_density_min         -0.582
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         8573
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.1376
_refine_ls_R_factor_gt           0.0892
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0161P)²+47.7995P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1738
_refine_ls_wR_factor_ref         0.1872
_reflns_number_gt                5272
_reflns_number_total             8573
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01211D.TXT
_cod_data_source_block           080712d
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        4864.7(10)
_cod_original_sg_symbol_H-M      'P2(1)/c '
_cod_database_code               7014835
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.25020(4) 0.73168(10) 0.23986(3) 0.0420(2) Uani 1 1 d . . .
Ag1 Ag 0.22925(5) 0.77552(15) 0.04200(3) 0.0768(4) Uani 1 1 d . . .
F1 F 0.0039(4) 0.8462(11) 0.3479(3) 0.093(3) Uani 1 1 d . . .
F2 F 0.1188(4) 0.9330(13) 0.2873(3) 0.112(3) Uani 1 1 d . . .
F3 F 0.0933(4) 0.7187(11) 0.3276(4) 0.123(3) Uani 1 1 d . . .
F4 F 0.1024(4) 0.9603(12) 0.3623(3) 0.101(3) Uani 1 1 d . . .
F5 F 0.0299(4) 1.0652(10) 0.3102(3) 0.113(3) Uani 1 1 d . . .
F6 F 0.0205(4) 0.8217(13) 0.2744(3) 0.115(3) Uani 1 1 d . . .
F7 F 0.1740(5) 0.2051(18) 0.5205(3) 0.166(5) Uani 1 1 d . . .
F8 F 0.2925(5) 0.2552(13) 0.4618(3) 0.124(3) Uani 1 1 d . . .
F9 F 0.2563(8) 0.0652(17) 0.5048(7) 0.253(9) Uani 1 1 d . . .
F10 F 0.2720(7) 0.313(2) 0.5314(4) 0.220(8) Uani 1 1 d . . .
F11 F 0.2086(7) 0.4041(15) 0.4764(6) 0.193(6) Uani 1 1 d . . .
F12 F 0.1925(6) 0.1702(16) 0.4483(3) 0.159(5) Uani 1 1 d . . .
F13 F 0.4156(4) 1.0713(10) 0.8539(3) 0.094(3) Uani 1 1 d . . .
F14 F 0.4920(5) 0.8565(13) 0.7870(4) 0.149(5) Uani 1 1 d . . .
F15 F 0.4120(5) 0.8167(12) 0.8320(4) 0.147(4) Uani 1 1 d . . .
F16 F 0.5030(5) 0.9254(17) 0.8613(4) 0.166(5) Uani 1 1 d . . .
F17 F 0.4948(5) 1.1167(12) 0.8101(4) 0.141(4) Uani 1 1 d . . .
F18 F 0.4023(6) 1.005(2) 0.7811(3) 0.178(6) Uani 1 1 d . . .
N1 N 0.2383(4) 0.5502(11) 0.1472(3) 0.040(2) Uani 1 1 d . . .
N2 N 0.1578(4) 0.5263(11) 0.1879(3) 0.048(2) Uani 1 1 d . . .
N3 N 0.3088(4) 0.6407(11) 0.0943(3) 0.050(2) Uani 1 1 d . . .
N4 N 0.3271(6) 0.7846(14) 0.0127(4) 0.085(4) Uani 1 1 d . . .
N5 N 0.2164(4) 0.5527(11) 0.2829(3) 0.045(2) Uani 1 1 d . . .
N6 N 0.2484(5) 0.9595(11) 0.1577(3) 0.054(2) Uani 1 1 d . . .
N7 N 0.3356(4) 0.9662(11) 0.2015(3) 0.054(2) Uani 1 1 d . . .
N8 N 0.1637(5) 0.8901(11) 0.1020(3) 0.054(2) Uani 1 1 d . . .
N9 N 0.1241(5) 0.7600(14) 0.0174(3) 0.069(3) Uani 1 1 d . . .
N10 N 0.2910(4) 0.8821(11) 0.2922(3) 0.043(2) Uani 1 1 d . . .
P1 P 0.06169(15) 0.8902(4) 0.31825(11) 0.0570(8) Uani 1 1 d . . .
P2 P 0.2342(2) 0.2312(5) 0.49151(12) 0.0858(12) Uani 1 1 d . . .
P3 P 0.45405(19) 0.9657(5) 0.81998(14) 0.0757(11) Uani 1 1 d . . .
C1 C 0.2157(5) 0.5923(12) 0.1878(3) 0.039(2) Uani 1 1 d . . .
C2 C 0.1417(6) 0.4434(16) 0.1465(4) 0.064(3) Uani 1 1 d . . .
H2 H 0.1037 0.3867 0.1379 0.077 Uiso 1 1 calc R . .
C3 C 0.1933(6) 0.4636(15) 0.1219(4) 0.061(3) Uani 1 1 d . . .
H3 H 0.1972 0.4239 0.0920 0.073 Uiso 1 1 calc R . .
C4 C 0.3039(5) 0.5781(14) 0.1361(4) 0.049(3) Uani 1 1 d . . .
C5 C 0.3553(7) 0.5259(16) 0.1674(4) 0.068(4) Uani 1 1 d . . .
H5 H 0.3488 0.4889 0.1972 0.081 Uiso 1 1 calc R . .
C6 C 0.4150(7) 0.5330(19) 0.1514(5) 0.083(4) Uani 1 1 d . . .
H6 H 0.4504 0.4965 0.1704 0.100 Uiso 1 1 calc R . .
C7 C 0.4247(6) 0.5929(19) 0.1076(4) 0.074(4) Uani 1 1 d . . .
C8 C 0.3705(6) 0.6503(16) 0.0805(4) 0.063(3) Uani 1 1 d . . .
C9 C 0.3777(8) 0.7267(18) 0.0361(4) 0.078(4) Uani 1 1 d . . .
C10 C 0.4418(8) 0.732(2) 0.0212(6) 0.094(5) Uani 1 1 d . . .
C11 C 0.4464(11) 0.795(3) -0.0241(7) 0.128(7) Uani 1 1 d . . .
H11 H 0.4858 0.7914 -0.0375 0.153 Uiso 1 1 calc R . .
C12 C 0.3957(12) 0.857(3) -0.0472(7) 0.149(10) Uani 1 1 d . . .
H12 H 0.4000 0.9079 -0.0757 0.178 Uiso 1 1 calc R . .
C13 C 0.3348(9) 0.8483(19) -0.0297(5) 0.100(5) Uani 1 1 d . . .
H13 H 0.2989 0.8872 -0.0477 0.120 Uiso 1 1 calc R . .
C14 C 0.4856(7) 0.603(3) 0.0901(6) 0.122(7) Uani 1 1 d . . .
H14 H 0.5219 0.5690 0.1086 0.147 Uiso 1 1 calc R . .
C15 C 0.4930(9) 0.660(3) 0.0476(6) 0.113(7) Uani 1 1 d . . .
H15 H 0.5331 0.6525 0.0355 0.136 Uiso 1 1 calc R . .
C16 C 0.1189(5) 0.5371(15) 0.2288(3) 0.050(3) Uani 1 1 d . . .
H16A H 0.0807 0.4688 0.2237 0.061 Uiso 1 1 calc R . .
H16B H 0.1050 0.6496 0.2328 0.061 Uiso 1 1 calc R . .
C17 C 0.1589(5) 0.4807(14) 0.2721(4) 0.049(3) Uani 1 1 d . . .
C18 C 0.1344(6) 0.3606(15) 0.2998(4) 0.060(3) Uani 1 1 d . . .
H18 H 0.0949 0.3105 0.2914 0.072 Uiso 1 1 calc R . .
C19 C 0.1698(8) 0.3184(17) 0.3394(5) 0.082(4) Uani 1 1 d . . .
H19 H 0.1543 0.2388 0.3587 0.098 Uiso 1 1 calc R . .
C20 C 0.2288(6) 0.3922(15) 0.3514(4) 0.062(3) Uani 1 1 d . . .
H20 H 0.2528 0.3649 0.3789 0.075 Uiso 1 1 calc R . .
C21 C 0.2508(5) 0.5053(13) 0.3220(4) 0.049(3) Uani 1 1 d . . .
H21 H 0.2913 0.5519 0.3292 0.059 Uiso 1 1 calc R . .
C22 C 0.2767(5) 0.8970(13) 0.1966(3) 0.043(3) Uani 1 1 d . . .
C23 C 0.3439(6) 1.0694(16) 0.1637(4) 0.065(4) Uani 1 1 d . . .
H23 H 0.3806 1.1306 0.1588 0.077 Uiso 1 1 calc R . .
C24 C 0.2901(6) 1.0638(15) 0.1362(4) 0.065(4) Uani 1 1 d . . .
H24 H 0.2817 1.1186 0.1081 0.078 Uiso 1 1 calc R . .
C25 C 0.1798(6) 0.9457(14) 0.1444(4) 0.050(3) Uani 1 1 d . . .
C26 C 0.1373(6) 0.9900(15) 0.1762(4) 0.056(3) Uani 1 1 d . . .
H26 H 0.1525 1.0271 0.2055 0.068 Uiso 1 1 calc R . .
C27 C 0.0743(6) 0.9794(16) 0.1646(4) 0.068(4) Uani 1 1 d . . .
H27 H 0.0449 1.0096 0.1858 0.082 Uiso 1 1 calc R . .
C28 C 0.0519(6) 0.9220(15) 0.1200(4) 0.056(3) Uani 1 1 d . . .
C29 C 0.0988(6) 0.8784(14) 0.0898(4) 0.054(3) Uani 1 1 d . . .
C30 C 0.0789(7) 0.8074(15) 0.0450(4) 0.065(3) Uani 1 1 d . . .
C31 C 0.0121(7) 0.7942(19) 0.0322(5) 0.077(4) Uani 1 1 d . . .
C32 C -0.0061(8) 0.730(2) -0.0112(5) 0.103(5) Uani 1 1 d . . .
H32 H -0.0496 0.7254 -0.0216 0.124 Uiso 1 1 calc R . .
C33 C 0.0396(9) 0.674(2) -0.0394(5) 0.109(6) Uani 1 1 d . . .
H33 H 0.0276 0.6254 -0.0680 0.131 Uiso 1 1 calc R . .
C34 C 0.1028(9) 0.6916(19) -0.0239(5) 0.089(5) Uani 1 1 d . . .
H34 H 0.1338 0.6541 -0.0430 0.107 Uiso 1 1 calc R . .
C35 C -0.0151(7) 0.9099(19) 0.1040(5) 0.081(4) Uani 1 1 d . . .
H35 H -0.0464 0.9429 0.1234 0.097 Uiso 1 1 calc R . .
C36 C -0.0330(7) 0.8525(19) 0.0621(5) 0.087(4) Uani 1 1 d . . .
H36 H -0.0767 0.8507 0.0522 0.104 Uiso 1 1 calc R . .
C37 C 0.3789(5) 0.9390(16) 0.2427(4) 0.056(3) Uani 1 1 d . . .
H37A H 0.4151 1.0139 0.2424 0.067 Uiso 1 1 calc R . .
H37B H 0.3957 0.8279 0.2420 0.067 Uiso 1 1 calc R . .
C38 C 0.3460(5) 0.9635(14) 0.2873(4) 0.053(3) Uani 1 1 d . . .
C39 C 0.3732(5) 1.0666(15) 0.3206(4) 0.060(3) Uani 1 1 d . . .
H39 H 0.4101 1.1265 0.3155 0.071 Uiso 1 1 calc R . .
C40 C 0.3447(6) 1.0802(17) 0.3624(5) 0.073(4) Uani 1 1 d . . .
H40 H 0.3632 1.1460 0.3862 0.088 Uiso 1 1 calc R . .
C41 C 0.2892(6) 0.9958(16) 0.3680(4) 0.066(3) Uani 1 1 d . . .
H41 H 0.2691 1.0030 0.3955 0.079 Uiso 1 1 calc R . .
C42 C 0.2634(6) 0.8990(13) 0.3317(4) 0.051(3) Uani 1 1 d . . .
H42 H 0.2250 0.8435 0.3352 0.061 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 0.0033 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'
Pd Pd -0.9988 1.0072 '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'
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
_geom_angle_publ_flag
C22 Pd1 C1 90.8(4) . . ?
C22 Pd1 N5 176.1(4) . . ?
C1 Pd1 N5 86.1(4) . . ?
C22 Pd1 N10 86.5(4) . . ?
C1 Pd1 N10 176.5(4) . . ?
N5 Pd1 N10 96.7(3) . . ?
N9 Ag1 N4 139.7(4) . . ?
N9 Ag1 N3 140.6(3) . . ?
N4 Ag1 N3 70.0(4) . . ?
N9 Ag1 N8 70.6(3) . . ?
N4 Ag1 N8 144.2(4) . . ?
N3 Ag1 N8 96.9(3) . . ?
C1 N1 C3 109.5(9) . . ?
C1 N1 C4 123.9(9) . . ?
C3 N1 C4 126.2(9) . . ?
C1 N2 C2 110.7(8) . . ?
C1 N2 C16 122.2(8) . . ?
C2 N2 C16 127.1(9) . . ?
C4 N3 C8 115.3(10) . . ?
C4 N3 Ag1 130.5(7) . . ?
C8 N3 Ag1 113.6(7) . . ?
C9 N4 C13 117.6(13) . . ?
C9 N4 Ag1 120.6(9) . . ?
C13 N4 Ag1 121.8(11) . . ?
C21 N5 C17 118.2(9) . . ?
C21 N5 Pd1 121.5(7) . . ?
C17 N5 Pd1 120.3(7) . . ?
C22 N6 C24 111.2(10) . . ?
C22 N6 C25 123.7(9) . . ?
C24 N6 C25 124.2(9) . . ?
C22 N7 C23 109.7(10) . . ?
C22 N7 C37 121.3(9) . . ?
C23 N7 C37 128.8(10) . . ?
C25 N8 C29 115.7(9) . . ?
C25 N8 Ag1 131.8(8) . . ?
C29 N8 Ag1 112.2(7) . . ?
C30 N9 C34 116.6(12) . . ?
C30 N9 Ag1 120.5(8) . . ?
C34 N9 Ag1 122.8(10) . . ?
C42 N10 C38 118.2(9) . . ?
C42 N10 Pd1 120.6(7) . . ?
C38 N10 Pd1 121.2(7) . . ?
F3 P1 F1 91.7(5) . . ?
F3 P1 F6 91.0(6) . . ?
F1 P1 F6 88.2(5) . . ?
F3 P1 F4 89.6(5) . . ?
F1 P1 F4 91.5(4) . . ?
F6 P1 F4 179.3(6) . . ?
F3 P1 F2 88.4(5) . . ?
F1 P1 F2 178.6(5) . . ?
F6 P1 F2 90.5(5) . . ?
F4 P1 F2 89.9(5) . . ?
F3 P1 F5 178.4(6) . . ?
F1 P1 F5 87.6(5) . . ?
F6 P1 F5 90.4(5) . . ?
F4 P1 F5 89.0(5) . . ?
F2 P1 F5 92.4(5) . . ?
F9 P2 F10 94.3(11) . . ?
F9 P2 F12 93.3(10) . . ?
F10 P2 F12 172.3(10) . . ?
F9 P2 F8 91.1(8) . . ?
F10 P2 F8 89.1(7) . . ?
F12 P2 F8 90.3(6) . . ?
F9 P2 F11 178.0(11) . . ?
F10 P2 F11 87.6(9) . . ?
F12 P2 F11 84.8(8) . . ?
F8 P2 F11 89.7(7) . . ?
F9 P2 F7 88.9(8) . . ?
F10 P2 F7 92.4(7) . . ?
F12 P2 F7 88.2(6) . . ?
F8 P2 F7 178.5(6) . . ?
F11 P2 F7 90.3(7) . . ?
F18 P3 F17 93.4(8) . . ?
F18 P3 F16 176.5(7) . . ?
F17 P3 F16 88.6(7) . . ?
F18 P3 F15 87.4(8) . . ?
F17 P3 F15 177.5(6) . . ?
F16 P3 F15 90.5(7) . . ?
F18 P3 F14 91.8(7) . . ?
F17 P3 F14 91.8(5) . . ?
F16 P3 F14 91.0(7) . . ?
F15 P3 F14 90.6(5) . . ?
F18 P3 F13 88.8(6) . . ?
F17 P3 F13 89.5(5) . . ?
F16 P3 F13 88.3(6) . . ?
F15 P3 F13 88.1(5) . . ?
F14 P3 F13 178.5(6) . . ?
N2 C1 N1 106.4(8) . . ?
N2 C1 Pd1 120.6(7) . . ?
N1 C1 Pd1 133.0(8) . . ?
C3 C2 N2 104.4(10) . . ?
N1 C3 C2 109.0(10) . . ?
N3 C4 C5 126.4(11) . . ?
N3 C4 N1 114.0(9) . . ?
C5 C4 N1 119.4(10) . . ?
C6 C5 C4 115.7(12) . . ?
C5 C6 C7 121.9(13) . . ?
C6 C7 C8 117.4(12) . . ?
C6 C7 C14 123.5(15) . . ?
C8 C7 C14 119.1(14) . . ?
N3 C8 C7 123.0(11) . . ?
N3 C8 C9 116.6(13) . . ?
C7 C8 C9 120.4(13) . . ?
N4 C9 C10 124.7(13) . . ?
N4 C9 C8 118.9(13) . . ?
C10 C9 C8 116.4(15) . . ?
C15 C10 C11 123.8(16) . . ?
C15 C10 C9 120.8(14) . . ?
C11 C10 C9 114.9(17) . . ?
C12 C11 C10 120.2(18) . . ?
C11 C12 C13 120.7(17) . . ?
N4 C13 C12 121.6(16) . . ?
C15 C14 C7 121.7(17) . . ?
C14 C15 C10 121.0(15) . . ?
N2 C16 C17 110.0(8) . . ?
N5 C17 C18 122.3(11) . . ?
N5 C17 C16 118.4(9) . . ?
C18 C17 C16 119.3(10) . . ?
C19 C18 C17 117.9(12) . . ?
C18 C19 C20 120.8(12) . . ?
C21 C20 C19 118.2(12) . . ?
N5 C21 C20 122.5(11) . . ?
N6 C22 N7 105.4(9) . . ?
N6 C22 Pd1 132.8(8) . . ?
N7 C22 Pd1 121.6(8) . . ?
C24 C23 N7 107.3(11) . . ?
C23 C24 N6 106.3(10) . . ?
N8 C25 C26 125.5(11) . . ?
N8 C25 N6 116.3(9) . . ?
C26 C25 N6 118.2(10) . . ?
C27 C26 C25 119.2(11) . . ?
C26 C27 C28 119.9(11) . . ?
C29 C28 C27 117.1(11) . . ?
C29 C28 C35 118.9(11) . . ?
C27 C28 C35 123.9(11) . . ?
N8 C29 C28 122.5(11) . . ?
N8 C29 C30 117.7(10) . . ?
C28 C29 C30 119.6(11) . . ?
N9 C30 C31 123.0(12) . . ?
N9 C30 C29 119.0(12) . . ?
C31 C30 C29 118.1(12) . . ?
C32 C31 C36 122.6(14) . . ?
C32 C31 C30 117.3(13) . . ?
C36 C31 C30 120.1(13) . . ?
C33 C32 C31 120.8(15) . . ?
C34 C33 C32 117.5(15) . . ?
N9 C34 C33 124.8(14) . . ?
C36 C35 C28 121.0(13) . . ?
C35 C36 C31 121.9(14) . . ?
N7 C37 C38 112.7(9) . . ?
N10 C38 C39 122.6(11) . . ?
N10 C38 C37 118.0(10) . . ?
C39 C38 C37 119.4(10) . . ?
C38 C39 C40 118.7(12) . . ?
C41 C40 C39 119.0(12) . . ?
C40 C41 C42 118.6(12) . . ?
N10 C42 C41 122.9(11) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 C22 1.945(10) . ?
Pd1 C1 1.972(10) . ?
Pd1 N5 2.073(8) . ?
Pd1 N10 2.074(8) . ?
Ag1 N9 2.244(10) . ?
Ag1 N4 2.262(11) . ?
Ag1 N3 2.411(9) . ?
Ag1 N8 2.469(9) . ?
F1 P1 1.571(7) . ?
F2 P1 1.580(8) . ?
F3 P1 1.558(9) . ?
F4 P1 1.578(8) . ?
F5 P1 1.581(9) . ?
F6 P1 1.573(8) . ?
F7 P2 1.572(10) . ?
F8 P2 1.551(9) . ?
F9 P2 1.469(12) . ?
F10 P2 1.499(11) . ?
F11 P2 1.555(13) . ?
F12 P2 1.542(11) . ?
F13 P3 1.567(8) . ?
F14 P3 1.561(9) . ?
F15 P3 1.550(9) . ?
F16 P3 1.540(12) . ?
F17 P3 1.533(9) . ?
F18 P3 1.526(11) . ?
N1 C1 1.340(11) . ?
N1 C3 1.341(13) . ?
N1 C4 1.441(13) . ?
N2 C1 1.317(12) . ?
N2 C2 1.390(13) . ?
N2 C16 1.482(12) . ?
N3 C4 1.321(13) . ?
N3 C8 1.373(14) . ?
N4 C9 1.292(17) . ?
N4 C13 1.351(16) . ?
N5 C21 1.344(13) . ?
N5 C17 1.344(13) . ?
N6 C22 1.327(13) . ?
N6 C24 1.393(14) . ?
N6 C25 1.449(14) . ?
N7 C22 1.344(13) . ?
N7 C23 1.399(13) . ?
N7 C37 1.450(13) . ?
N8 C25 1.322(13) . ?
N8 C29 1.369(14) . ?
N9 C30 1.335(14) . ?
N9 C34 1.358(16) . ?
N10 C42 1.322(12) . ?
N10 C38 1.337(13) . ?
C2 C3 1.343(15) . ?
C4 C5 1.409(16) . ?
C5 C6 1.357(17) . ?
C6 C7 1.384(18) . ?
C7 C8 1.400(17) . ?
C7 C14 1.402(18) . ?
C8 C9 1.442(16) . ?
C9 C10 1.432(19) . ?
C10 C15 1.39(2) . ?
C10 C11 1.42(2) . ?
C11 C12 1.30(3) . ?
C12 C13 1.40(2) . ?
C14 C15 1.33(2) . ?
C16 C17 1.516(14) . ?
C17 C18 1.385(14) . ?
C18 C19 1.354(17) . ?
C19 C20 1.383(17) . ?
C20 C21 1.357(14) . ?
C23 C24 1.318(16) . ?
C25 C26 1.370(14) . ?
C26 C27 1.328(16) . ?
C27 C28 1.411(16) . ?
C28 C29 1.405(14) . ?
C28 C35 1.432(17) . ?
C29 C30 1.445(16) . ?
C30 C31 1.411(18) . ?
C31 C32 1.382(18) . ?
C31 C36 1.406(18) . ?
C32 C33 1.38(2) . ?
C33 C34 1.36(2) . ?
C35 C36 1.322(18) . ?
C37 C38 1.517(14) . ?
C38 C39 1.365(15) . ?
C39 C40 1.389(16) . ?
C40 C41 1.361(17) . ?
C41 C42 1.384(15) . ?
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
N9 Ag1 N3 C4 -38.6(12) . . . . ?
N4 Ag1 N3 C4 174.7(10) . . . . ?
N8 Ag1 N3 C4 29.1(10) . . . . ?
N9 Ag1 N3 C8 150.8(8) . . . . ?
N4 Ag1 N3 C8 4.0(8) . . . . ?
N8 Ag1 N3 C8 -141.5(8) . . . . ?
N9 Ag1 N4 C9 -150.9(11) . . . . ?
N3 Ag1 N4 C9 -3.4(11) . . . . ?
N8 Ag1 N4 C9 70.1(13) . . . . ?
N9 Ag1 N4 C13 28.4(15) . . . . ?
N3 Ag1 N4 C13 175.8(13) . . . . ?
N8 Ag1 N4 C13 -110.7(12) . . . . ?
C22 Pd1 N5 C21 177(5) . . . . ?
C1 Pd1 N5 C21 139.5(8) . . . . ?
N10 Pd1 N5 C21 -38.5(8) . . . . ?
C22 Pd1 N5 C17 -3(6) . . . . ?
C1 Pd1 N5 C17 -40.5(8) . . . . ?
N10 Pd1 N5 C17 141.5(8) . . . . ?
N9 Ag1 N8 C25 175.5(11) . . . . ?
N4 Ag1 N8 C25 -31.2(13) . . . . ?
N3 Ag1 N8 C25 34.0(10) . . . . ?
N9 Ag1 N8 C29 2.3(7) . . . . ?
N4 Ag1 N8 C29 155.6(8) . . . . ?
N3 Ag1 N8 C29 -139.2(7) . . . . ?
N4 Ag1 N9 C30 -159.2(9) . . . . ?
N3 Ag1 N9 C30 73.6(11) . . . . ?
N8 Ag1 N9 C30 -3.2(9) . . . . ?
N4 Ag1 N9 C34 26.0(14) . . . . ?
N3 Ag1 N9 C34 -101.2(11) . . . . ?
N8 Ag1 N9 C34 -178.0(11) . . . . ?
C22 Pd1 N10 C42 141.9(9) . . . . ?
C1 Pd1 N10 C42 180(100) . . . . ?
N5 Pd1 N10 C42 -35.9(9) . . . . ?
C22 Pd1 N10 C38 -38.6(9) . . . . ?
C1 Pd1 N10 C38 -1(7) . . . . ?
N5 Pd1 N10 C38 143.7(8) . . . . ?
C2 N2 C1 N1 -1.4(12) . . . . ?
C16 N2 C1 N1 175.9(9) . . . . ?
C2 N2 C1 Pd1 175.7(8) . . . . ?
C16 N2 C1 Pd1 -7.0(14) . . . . ?
C3 N1 C1 N2 2.2(12) . . . . ?
C4 N1 C1 N2 -170.8(9) . . . . ?
C3 N1 C1 Pd1 -174.4(9) . . . . ?
C4 N1 C1 Pd1 12.6(16) . . . . ?
C22 Pd1 C1 N2 -132.5(9) . . . . ?
N5 Pd1 C1 N2 45.1(8) . . . . ?
N10 Pd1 C1 N2 -170(6) . . . . ?
C22 Pd1 C1 N1 43.6(10) . . . . ?
N5 Pd1 C1 N1 -138.7(10) . . . . ?
N10 Pd1 C1 N1 6(7) . . . . ?
C1 N2 C2 C3 0.1(14) . . . . ?
C16 N2 C2 C3 -177.1(11) . . . . ?
C1 N1 C3 C2 -2.2(14) . . . . ?
C4 N1 C3 C2 170.6(11) . . . . ?
N2 C2 C3 N1 1.3(14) . . . . ?
C8 N3 C4 C5 1.8(17) . . . . ?
Ag1 N3 C4 C5 -168.7(9) . . . . ?
C8 N3 C4 N1 -172.5(9) . . . . ?
Ag1 N3 C4 N1 17.0(14) . . . . ?
C1 N1 C4 N3 -134.3(10) . . . . ?
C3 N1 C4 N3 53.8(15) . . . . ?
C1 N1 C4 C5 50.9(15) . . . . ?
C3 N1 C4 C5 -120.9(12) . . . . ?
N3 C4 C5 C6 -4.0(19) . . . . ?
N1 C4 C5 C6 170.1(11) . . . . ?
C4 C5 C6 C7 2(2) . . . . ?
C5 C6 C7 C8 1(2) . . . . ?
C5 C6 C7 C14 179.5(15) . . . . ?
C4 N3 C8 C7 2.2(17) . . . . ?
Ag1 N3 C8 C7 174.3(10) . . . . ?
C4 N3 C8 C9 -176.6(11) . . . . ?
Ag1 N3 C8 C9 -4.4(13) . . . . ?
C6 C7 C8 N3 -4(2) . . . . ?
C14 C7 C8 N3 178.0(13) . . . . ?
C6 C7 C8 C9 174.9(13) . . . . ?
C14 C7 C8 C9 -3(2) . . . . ?
C13 N4 C9 C10 3(2) . . . . ?
Ag1 N4 C9 C10 -177.9(11) . . . . ?
C13 N4 C9 C8 -176.8(13) . . . . ?
Ag1 N4 C9 C8 2.4(19) . . . . ?
N3 C8 C9 N4 1.7(19) . . . . ?
C7 C8 C9 N4 -177.1(13) . . . . ?
N3 C8 C9 C10 -178.1(12) . . . . ?
C7 C8 C9 C10 3(2) . . . . ?
N4 C9 C10 C15 -177.3(17) . . . . ?
C8 C9 C10 C15 2(2) . . . . ?
N4 C9 C10 C11 -5(2) . . . . ?
C8 C9 C10 C11 174.8(15) . . . . ?
C15 C10 C11 C12 179(2) . . . . ?
C9 C10 C11 C12 7(3) . . . . ?
C10 C11 C12 C13 -6(4) . . . . ?
C9 N4 C13 C12 -2(2) . . . . ?
Ag1 N4 C13 C12 178.5(14) . . . . ?
C11 C12 C13 N4 4(3) . . . . ?
C6 C7 C14 C15 179.5(18) . . . . ?
C8 C7 C14 C15 -2(3) . . . . ?
C7 C14 C15 C10 8(3) . . . . ?
C11 C10 C15 C14 -179.9(19) . . . . ?
C9 C10 C15 C14 -8(3) . . . . ?
C1 N2 C16 C17 -51.5(14) . . . . ?
C2 N2 C16 C17 125.4(12) . . . . ?
C21 N5 C17 C18 -0.1(15) . . . . ?
Pd1 N5 C17 C18 179.9(8) . . . . ?
C21 N5 C17 C16 178.3(9) . . . . ?
Pd1 N5 C17 C16 -1.7(13) . . . . ?
N2 C16 C17 N5 54.3(13) . . . . ?
N2 C16 C17 C18 -127.3(10) . . . . ?
N5 C17 C18 C19 1.4(17) . . . . ?
C16 C17 C18 C19 -176.9(11) . . . . ?
C17 C18 C19 C20 -0.7(19) . . . . ?
C18 C19 C20 C21 -1(2) . . . . ?
C17 N5 C21 C20 -2.1(16) . . . . ?
Pd1 N5 C21 C20 177.9(9) . . . . ?
C19 C20 C21 N5 2.8(18) . . . . ?
C24 N6 C22 N7 2.6(12) . . . . ?
C25 N6 C22 N7 -166.4(10) . . . . ?
C24 N6 C22 Pd1 -173.6(9) . . . . ?
C25 N6 C22 Pd1 17.4(17) . . . . ?
C23 N7 C22 N6 -1.9(12) . . . . ?
C37 N7 C22 N6 174.1(9) . . . . ?
C23 N7 C22 Pd1 174.8(8) . . . . ?
C37 N7 C22 Pd1 -9.1(14) . . . . ?
C1 Pd1 C22 N6 42.2(11) . . . . ?
N5 Pd1 C22 N6 5(6) . . . . ?
N10 Pd1 C22 N6 -139.9(11) . . . . ?
C1 Pd1 C22 N7 -133.5(9) . . . . ?
N5 Pd1 C22 N7 -171(5) . . . . ?
N10 Pd1 C22 N7 44.4(8) . . . . ?
C22 N7 C23 C24 0.5(14) . . . . ?
C37 N7 C23 C24 -175.2(11) . . . . ?
N7 C23 C24 N6 1.1(14) . . . . ?
C22 N6 C24 C23 -2.4(14) . . . . ?
C25 N6 C24 C23 166.6(11) . . . . ?
C29 N8 C25 C26 0.5(17) . . . . ?
Ag1 N8 C25 C26 -172.5(9) . . . . ?
C29 N8 C25 N6 -179.6(9) . . . . ?
Ag1 N8 C25 N6 7.3(15) . . . . ?
C22 N6 C25 N8 -128.9(11) . . . . ?
C24 N6 C25 N8 63.5(15) . . . . ?
C22 N6 C25 C26 51.0(16) . . . . ?
C24 N6 C25 C26 -116.7(13) . . . . ?
N8 C25 C26 C27 -0.6(19) . . . . ?
N6 C25 C26 C27 179.5(11) . . . . ?
C25 C26 C27 C28 0.3(19) . . . . ?
C26 C27 C28 C29 0.0(18) . . . . ?
C26 C27 C28 C35 -178.5(13) . . . . ?
C25 N8 C29 C28 -0.2(16) . . . . ?
Ag1 N8 C29 C28 174.2(9) . . . . ?
C25 N8 C29 C30 -175.7(10) . . . . ?
Ag1 N8 C29 C30 -1.3(12) . . . . ?
C27 C28 C29 N8 0.0(17) . . . . ?
C35 C28 C29 N8 178.5(12) . . . . ?
C27 C28 C29 C30 175.4(11) . . . . ?
C35 C28 C29 C30 -6.1(18) . . . . ?
C34 N9 C30 C31 -2.2(19) . . . . ?
Ag1 N9 C30 C31 -177.3(10) . . . . ?
C34 N9 C30 C29 179.0(11) . . . . ?
Ag1 N9 C30 C29 3.8(15) . . . . ?
N8 C29 C30 N9 -1.4(16) . . . . ?
C28 C29 C30 N9 -177.1(11) . . . . ?
N8 C29 C30 C31 179.7(11) . . . . ?
C28 C29 C30 C31 4.0(17) . . . . ?
N9 C30 C31 C32 -1(2) . . . . ?
C29 C30 C31 C32 178.2(13) . . . . ?
N9 C30 C31 C36 -177.5(13) . . . . ?
C29 C30 C31 C36 1(2) . . . . ?
C36 C31 C32 C33 -179.7(16) . . . . ?
C30 C31 C32 C33 4(3) . . . . ?
C31 C32 C33 C34 -3(3) . . . . ?
C30 N9 C34 C33 2(2) . . . . ?
Ag1 N9 C34 C33 177.4(13) . . . . ?
C32 C33 C34 N9 0(3) . . . . ?
C29 C28 C35 C36 3(2) . . . . ?
C27 C28 C35 C36 -178.9(14) . . . . ?
C28 C35 C36 C31 3(2) . . . . ?
C32 C31 C36 C35 178.4(16) . . . . ?
C30 C31 C36 C35 -5(2) . . . . ?
C22 N7 C37 C38 -48.3(14) . . . . ?
C23 N7 C37 C38 126.9(12) . . . . ?
C42 N10 C38 C39 -2.1(17) . . . . ?
Pd1 N10 C38 C39 178.3(9) . . . . ?
C42 N10 C38 C37 177.8(10) . . . . ?
Pd1 N10 C38 C37 -1.7(14) . . . . ?
N7 C37 C38 N10 52.5(14) . . . . ?
N7 C37 C38 C39 -127.6(12) . . . . ?
N10 C38 C39 C40 3.8(18) . . . . ?
C37 C38 C39 C40 -176.2(11) . . . . ?
C38 C39 C40 C41 -2.7(19) . . . . ?
C39 C40 C41 C42 0(2) . . . . ?
C38 N10 C42 C41 -0.6(17) . . . . ?
Pd1 N10 C42 C41 179.0(9) . . . . ?
C40 C41 C42 N10 1.5(19) . . . . ?
