#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:15:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179101 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/63/4306393.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_4306393
loop_
_publ_author_name
'Stefan Welsch'
'Christophe Lescop'
'Manfred Scheer'
'Régis Réau'
_publ_section_title
;
AgI Bimetallic Molecular Clips with Adaptive Coordination Behavior for
Supramolecular Chemistry
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8592
_journal_page_last               8594
_journal_paper_doi               10.1021/ic801222j
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C51 H48 Ag2 Cl6 F12 N4 P4'
_chemical_formula_sum            'C51 H48 Ag2 Cl6 F12 N4 P4'
_chemical_formula_weight         1497.25
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 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                 98.209(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1777(8)
_cell_length_b                   52.808(4)
_cell_length_c                   11.4270(10)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      2.70
_cell_volume                     5481.4(8)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       none
_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  0.0371
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       55
_diffrn_reflns_limit_k_min       -68
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            30294
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         1.80
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.207
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2984
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.906
_refine_diff_density_min         -2.039
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         12411
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_gt           0.0682
_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)+(0.0677P)²+40.0584P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1657
_refine_ls_wR_factor_ref         0.1837
_reflns_number_gt                10042
_reflns_number_total             12411
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801222j_si_002_2.cif
_cod_data_source_block           compound_1
_cod_original_cell_volume        5481.5(8)
_cod_database_code               4306393
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, 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 0.83585(5) 0.134029(8) 0.69461(4) 0.01946(12) Uani 1 1 d . . .
Ag2 Ag 0.99282(6) 0.103843(9) 0.56782(4) 0.02182(13) Uani 1 1 d . . .
P1 P 0.93851(16) 0.08899(3) 0.76377(12) 0.0134(3) Uani 1 1 d . . .
P2 P 0.80371(17) 0.16230(3) 0.53103(12) 0.0156(3) Uani 1 1 d . . .
N1 N 0.7653(6) 0.13153(10) 0.8725(4) 0.0171(10) Uani 1 1 d . . .
N2 N 1.0826(6) 0.06320(10) 0.5754(4) 0.0195(10) Uani 1 1 d . . .
N3 N 0.9795(5) 0.12023(10) 0.3889(4) 0.0168(10) Uani 1 1 d . . .
N4 N 0.6211(7) 0.19116(11) 0.6722(5) 0.0273(12) Uani 1 1 d . . .
C1 C 0.7844(6) 0.08679(11) 0.8457(5) 0.0157(11) Uani 1 1 d . . .
C2 C 0.7151(7) 0.06416(12) 0.8236(5) 0.0193(12) Uani 1 1 d . . .
C3 C 0.5727(7) 0.05677(13) 0.8643(6) 0.0246(13) Uani 1 1 d . . .
H3A H 0.5133 0.0721 0.8730 0.029 Uiso 1 1 calc R . .
H3B H 0.5931 0.0484 0.9423 0.029 Uiso 1 1 calc R . .
C4 C 0.4869(9) 0.03886(18) 0.7754(9) 0.046(2) Uani 1 1 d . . .
H4A H 0.3949 0.0336 0.8045 0.055 Uiso 1 1 calc R . .
H4B H 0.4600 0.0477 0.6990 0.055 Uiso 1 1 calc R . .
C5 C 0.5776(9) 0.01604(16) 0.7581(8) 0.0420(19) Uani 1 1 d . . .
H5A H 0.5173 0.0039 0.7056 0.050 Uiso 1 1 calc R . .
H5B H 0.6064 0.0076 0.8354 0.050 Uiso 1 1 calc R . .
C6 C 0.7146(8) 0.02242(13) 0.7051(6) 0.0270(14) Uani 1 1 d . . .
H6A H 0.7869 0.0086 0.7242 0.032 Uiso 1 1 calc R . .
H6B H 0.6889 0.0230 0.6180 0.032 Uiso 1 1 calc R . .
C7 C 0.7872(7) 0.04713(11) 0.7462(5) 0.0173(11) Uani 1 1 d . . .
C8 C 0.9109(7) 0.05714(10) 0.7110(5) 0.0167(11) Uani 1 1 d . . .
C9 C 1.0167(7) 0.04653(11) 0.6389(5) 0.0175(11) Uani 1 1 d . . .
C10 C 1.0568(7) 0.02103(12) 0.6419(5) 0.0218(13) Uani 1 1 d . . .
H10 H 1.0098 0.0094 0.6876 0.026 Uiso 1 1 calc R . .
C11 C 1.1643(7) 0.01282(12) 0.5787(6) 0.0252(14) Uani 1 1 d . . .
H11 H 1.1913 -0.0046 0.5797 0.030 Uiso 1 1 calc R . .
C12 C 1.2333(7) 0.03012(13) 0.5131(6) 0.0248(14) Uani 1 1 d . . .
H12 H 1.3083 0.0249 0.4690 0.030 Uiso 1 1 calc R . .
C13 C 1.1890(7) 0.05522(13) 0.5143(5) 0.0231(13) Uani 1 1 d . . .
H13 H 1.2357 0.0673 0.4703 0.028 Uiso 1 1 calc R . .
C14 C 0.7441(6) 0.10826(12) 0.9160(5) 0.0171(11) Uani 1 1 d . . .
C15 C 0.6910(7) 0.10535(12) 1.0226(5) 0.0201(12) Uani 1 1 d . . .
H15 H 0.6776 0.0889 1.0533 0.024 Uiso 1 1 calc R . .
C16 C 0.6575(7) 0.12669(13) 1.0839(5) 0.0222(13) Uani 1 1 d . . .
H16 H 0.6219 0.1250 1.1576 0.027 Uiso 1 1 calc R . .
C17 C 0.6761(8) 0.15035(13) 1.0376(5) 0.0259(14) Uani 1 1 d . . .
H17 H 0.6502 0.1651 1.0773 0.031 Uiso 1 1 calc R . .
C18 C 0.7330(7) 0.15215(12) 0.9327(5) 0.0218(13) Uani 1 1 d . . .
H18 H 0.7498 0.1684 0.9020 0.026 Uiso 1 1 calc R . .
C19 C 1.1015(6) 0.08852(11) 0.8744(5) 0.0148(11) Uani 1 1 d . . .
C20 C 1.1486(7) 0.06616(12) 0.9336(5) 0.0204(12) Uani 1 1 d . . .
H20 H 1.0985 0.0507 0.9126 0.024 Uiso 1 1 calc R . .
C21 C 1.2669(7) 0.06642(13) 1.0217(5) 0.0228(13) Uani 1 1 d . . .
H21 H 1.2998 0.0511 1.0603 0.027 Uiso 1 1 calc R . .
C22 C 1.3386(7) 0.08904(13) 1.0547(6) 0.0236(13) Uani 1 1 d . . .
H22 H 1.4176 0.0893 1.1182 0.028 Uiso 1 1 calc R . .
C23 C 1.2946(7) 0.11112(12) 0.9949(5) 0.0213(12) Uani 1 1 d . . .
H23 H 1.3462 0.1264 1.0155 0.026 Uiso 1 1 calc R . .
C24 C 1.1759(7) 0.11113(11) 0.9053(5) 0.0185(12) Uani 1 1 d . . .
H24 H 1.1455 0.1264 0.8651 0.022 Uiso 1 1 calc R . .
C31 C 0.9480(7) 0.16454(11) 0.4391(5) 0.0168(11) Uani 1 1 d . . .
C32 C 1.0158(7) 0.18730(12) 0.4554(5) 0.0198(12) Uani 1 1 d . . .
C33 C 1.1467(8) 0.19554(14) 0.3983(7) 0.0311(15) Uani 1 1 d . . .
H33A H 1.1128 0.2004 0.3151 0.037 Uiso 1 1 calc R . .
H33B H 1.2155 0.1811 0.3979 0.037 Uiso 1 1 calc R . .
C34 C 1.2282(8) 0.21788(15) 0.4626(8) 0.0372(17) Uani 1 1 d . . .
H34A H 1.2787 0.2123 0.5407 0.045 Uiso 1 1 calc R . .
H34B H 1.3036 0.2243 0.4161 0.045 Uiso 1 1 calc R . .
C35 C 1.1222(9) 0.23844(14) 0.4787(7) 0.0345(16) Uani 1 1 d . . .
H35A H 1.0645 0.2428 0.4014 0.041 Uiso 1 1 calc R . .
H35B H 1.1767 0.2537 0.5100 0.041 Uiso 1 1 calc R . .
C36 C 1.0192(7) 0.23011(12) 0.5636(6) 0.0250(13) Uani 1 1 d . . .
H36A H 1.0742 0.2299 0.6447 0.030 Uiso 1 1 calc R . .
H36B H 0.9393 0.2428 0.5620 0.030 Uiso 1 1 calc R . .
C37 C 0.9514(7) 0.20437(11) 0.5363(5) 0.0195(12) Uani 1 1 d . . .
C38 C 0.8333(7) 0.19443(11) 0.5804(5) 0.0181(12) Uani 1 1 d . . .
C39 C 0.7425(7) 0.20422(12) 0.6666(5) 0.0215(13) Uani 1 1 d . . .
C40 C 0.7776(9) 0.22569(14) 0.7367(7) 0.0341(16) Uani 1 1 d . . .
H40 H 0.8653 0.2349 0.7319 0.041 Uiso 1 1 calc R . .
C41 C 0.6812(10) 0.23313(15) 0.8133(7) 0.0411(19) Uani 1 1 d . . .
H41 H 0.7023 0.2476 0.8623 0.049 Uiso 1 1 calc R . .
C42 C 0.5572(9) 0.21969(14) 0.8176(7) 0.0340(16) Uani 1 1 d . . .
H42 H 0.4900 0.2247 0.8693 0.041 Uiso 1 1 calc R . .
C43 C 0.5283(8) 0.19865(15) 0.7470(6) 0.0328(16) Uani 1 1 d . . .
H43 H 0.4410 0.1892 0.7510 0.039 Uiso 1 1 calc R . .
C44 C 0.9782(6) 0.14462(11) 0.3548(5) 0.0160(11) Uani 1 1 d . . .
C45 C 0.9957(7) 0.15142(12) 0.2404(5) 0.0231(13) Uani 1 1 d . . .
H45 H 0.9887 0.1687 0.2169 0.028 Uiso 1 1 calc R . .
C46 C 1.0237(7) 0.13283(12) 0.1604(5) 0.0231(13) Uani 1 1 d . . .
H46 H 1.0412 0.1372 0.0830 0.028 Uiso 1 1 calc R . .
C47 C 1.0256(7) 0.10790(13) 0.1956(6) 0.0233(13) Uani 1 1 d . . .
H47 H 1.0437 0.0948 0.1427 0.028 Uiso 1 1 calc R . .
C48 C 1.0007(7) 0.10227(13) 0.3095(6) 0.0244(13) Uani 1 1 d . . .
H48 H 0.9985 0.0850 0.3325 0.029 Uiso 1 1 calc R . .
C49 C 0.6368(7) 0.16066(12) 0.4245(5) 0.0193(12) Uani 1 1 d . . .
C50 C 0.5591(8) 0.13826(13) 0.4093(6) 0.0255(13) Uani 1 1 d . . .
H50 H 0.5896 0.1240 0.4573 0.031 Uiso 1 1 calc R . .
C51 C 0.4358(8) 0.13669(16) 0.3233(6) 0.0348(17) Uani 1 1 d . . .
H51 H 0.3808 0.1214 0.3135 0.042 Uiso 1 1 calc R . .
C52 C 0.3937(8) 0.15709(17) 0.2528(6) 0.0352(18) Uani 1 1 d . . .
H52 H 0.3107 0.1558 0.1931 0.042 Uiso 1 1 calc R . .
C53 C 0.4704(8) 0.17938(16) 0.2678(6) 0.0348(17) Uani 1 1 d . . .
H53 H 0.4394 0.1935 0.2189 0.042 Uiso 1 1 calc R . .
C54 C 0.5926(8) 0.18156(14) 0.3534(6) 0.0278(14) Uani 1 1 d . . .
H54 H 0.6457 0.1970 0.3637 0.033 Uiso 1 1 calc R . .
P10 P 0.1590(2) 0.19055(4) 0.91849(18) 0.0325(4) Uani 1 1 d . . .
F10 F 0.0387(6) 0.17159(11) 0.8538(6) 0.0633(16) Uani 1 1 d . . .
F11 F 0.1223(8) 0.18155(15) 1.0404(6) 0.082(2) Uani 1 1 d . . .
F12 F 0.2814(6) 0.16933(9) 0.9205(5) 0.0521(13) Uani 1 1 d . . .
F13 F 0.2804(7) 0.20958(10) 0.9814(5) 0.0546(13) Uani 1 1 d . . .
F14 F 0.1963(6) 0.19984(12) 0.7939(5) 0.0571(14) Uani 1 1 d . . .
F15 F 0.0379(7) 0.21202(11) 0.9122(6) 0.0673(17) Uani 1 1 d . . .
P20 P 0.6132(2) 0.06131(3) 0.35978(15) 0.0269(4) Uani 1 1 d . . .
F20 F 0.5719(6) 0.04717(10) 0.2345(4) 0.0495(12) Uani 1 1 d . . .
F21 F 0.5686(6) 0.03642(10) 0.4245(5) 0.0523(13) Uani 1 1 d . . .
F22 F 0.7788(5) 0.05060(8) 0.3693(4) 0.0371(10) Uani 1 1 d . . .
F23 F 0.6566(6) 0.07556(10) 0.4819(4) 0.0494(13) Uani 1 1 d . . .
F24 F 0.6596(5) 0.08540(8) 0.2895(4) 0.0374(10) Uani 1 1 d . . .
F25 F 0.4496(5) 0.07204(12) 0.3491(5) 0.0543(14) Uani 1 1 d . . .
C90A C -0.1224(12) 0.03688(17) 0.1159(7) 0.049(2) Uani 0.50 1 d P A 1
H90A H -0.1306 0.0516 0.0619 0.059 Uiso 0.50 1 calc PR A 1
H90B H -0.2034 0.0377 0.1644 0.059 Uiso 0.50 1 calc PR A 1
Cl1A Cl 0.0467(3) 0.03688(4) 0.20546(18) 0.0429(5) Uani 0.50 1 d P A 1
Cl2 Cl -0.1312(9) 0.00853(11) 0.0349(5) 0.0681(17) Uani 0.50 1 d P A 1
C90B C -0.1224(12) 0.03688(17) 0.1159(7) 0.049(2) Uani 0.50 1 d P B 2
H90C H -0.1088 0.0449 0.0399 0.059 Uiso 0.50 1 calc PR B 2
H90D H -0.1895 0.0479 0.1535 0.059 Uiso 0.50 1 calc PR B 2
Cl1B Cl 0.0467(3) 0.03688(4) 0.20546(18) 0.0429(5) Uani 0.50 1 d P B 2
Cl3 Cl -0.2146(8) 0.00715(12) 0.0827(6) 0.0713(17) Uani 0.50 1 d P B 2
C901 C 0.4059(8) 0.13552(17) 0.6863(7) 0.0389(19) Uani 1 1 d . . .
H90E H 0.4842 0.1463 0.6610 0.047 Uiso 1 1 calc R . .
H90F H 0.4090 0.1379 0.7726 0.047 Uiso 1 1 calc R . .
Cl11 Cl 0.4454(3) 0.10469(4) 0.6605(2) 0.0509(5) Uani 1 1 d . . .
Cl12 Cl 0.2374(2) 0.14623(4) 0.61631(18) 0.0402(4) Uani 1 1 d . . .
C902 C 0.861(2) 0.2351(3) 0.0977(13) 0.114(6) Uani 1 1 d . . .
H90G H 0.7786 0.2467 0.0709 0.137 Uiso 1 1 calc R . .
H90H H 0.8816 0.2252 0.0282 0.137 Uiso 1 1 calc R . .
Cl21 Cl 0.8105(6) 0.21548(9) 0.1967(4) 0.1153(15) Uani 1 1 d . . .
Cl22 Cl 1.0179(6) 0.25330(8) 0.1491(3) 0.1139(16) 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'
Cl Cl 0.1484 0.1585 '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
N1 Ag1 P2 137.42(13) . . ?
N1 Ag1 P1 79.09(13) . . ?
P2 Ag1 P1 143.20(5) . . ?
N1 Ag1 Ag2 134.57(13) . . ?
P2 Ag1 Ag2 87.98(4) . . ?
P1 Ag1 Ag2 55.54(3) . . ?
N3 Ag2 N2 111.93(18) . . ?
N3 Ag2 P1 164.79(14) . . ?
N2 Ag2 P1 77.79(13) . . ?
N3 Ag2 Ag1 107.56(13) . . ?
N2 Ag2 Ag1 138.30(13) . . ?
P1 Ag2 Ag1 60.88(4) . . ?
C8 P1 C1 91.7(3) . . ?
C8 P1 C19 106.5(3) . . ?
C1 P1 C19 105.4(3) . . ?
C8 P1 Ag2 91.73(19) . . ?
C1 P1 Ag2 139.31(18) . . ?
C19 P1 Ag2 112.33(19) . . ?
C8 P1 Ag1 135.91(19) . . ?
C1 P1 Ag1 86.62(19) . . ?
C19 P1 Ag1 116.39(19) . . ?
Ag2 P1 Ag1 63.59(4) . . ?
C38 P2 C31 91.7(3) . . ?
C38 P2 C49 109.3(3) . . ?
C31 P2 C49 103.4(3) . . ?
C38 P2 Ag1 110.50(19) . . ?
C31 P2 Ag1 118.61(19) . . ?
C49 P2 Ag1 119.6(2) . . ?
C18 N1 C14 119.7(5) . . ?
C18 N1 Ag1 122.3(4) . . ?
C14 N1 Ag1 117.8(4) . . ?
C9 N2 C13 119.5(5) . . ?
C9 N2 Ag2 116.6(4) . . ?
C13 N2 Ag2 123.8(4) . . ?
C48 N3 C44 118.4(5) . . ?
C48 N3 Ag2 110.7(4) . . ?
C44 N3 Ag2 129.9(4) . . ?
C39 N4 C43 119.4(6) . . ?
C2 C1 C14 129.3(6) . . ?
C2 C1 P1 109.9(4) . . ?
C14 C1 P1 120.7(4) . . ?
C1 C2 C7 114.0(6) . . ?
C1 C2 C3 125.2(6) . . ?
C7 C2 C3 120.7(5) . . ?
C2 C3 C4 110.3(6) . . ?
C2 C3 H3A 109.6 . . ?
C4 C3 H3A 109.6 . . ?
C2 C3 H3B 109.6 . . ?
C4 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
C5 C4 C3 110.1(7) . . ?
C5 C4 H4A 109.6 . . ?
C3 C4 H4A 109.6 . . ?
C5 C4 H4B 109.6 . . ?
C3 C4 H4B 109.6 . . ?
H4A C4 H4B 108.2 . . ?
C4 C5 C6 112.6(7) . . ?
C4 C5 H5A 109.1 . . ?
C6 C5 H5A 109.1 . . ?
C4 C5 H5B 109.1 . . ?
C6 C5 H5B 109.1 . . ?
H5A C5 H5B 107.8 . . ?
C7 C6 C5 115.1(6) . . ?
C7 C6 H6A 108.5 . . ?
C5 C6 H6A 108.5 . . ?
C7 C6 H6B 108.5 . . ?
C5 C6 H6B 108.5 . . ?
H6A C6 H6B 107.5 . . ?
C8 C7 C2 113.7(5) . . ?
C8 C7 C6 126.4(6) . . ?
C2 C7 C6 119.7(5) . . ?
C7 C8 C9 131.4(5) . . ?
C7 C8 P1 110.4(4) . . ?
C9 C8 P1 118.2(4) . . ?
N2 C9 C10 120.7(6) . . ?
N2 C9 C8 116.0(5) . . ?
C10 C9 C8 123.1(5) . . ?
C11 C10 C9 119.9(6) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C10 C11 C12 119.5(6) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C13 C12 C11 117.8(6) . . ?
C13 C12 H12 121.1 . . ?
C11 C12 H12 121.1 . . ?
N2 C13 C12 122.6(6) . . ?
N2 C13 H13 118.7 . . ?
C12 C13 H13 118.7 . . ?
N1 C14 C15 120.8(5) . . ?
N1 C14 C1 116.2(5) . . ?
C15 C14 C1 123.0(6) . . ?
C16 C15 C14 119.1(6) . . ?
C16 C15 H15 120.4 . . ?
C14 C15 H15 120.4 . . ?
C17 C16 C15 119.7(6) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 118.7(6) . . ?
C16 C17 H17 120.7 . . ?
C18 C17 H17 120.7 . . ?
N1 C18 C17 121.9(6) . . ?
N1 C18 H18 119.0 . . ?
C17 C18 H18 119.0 . . ?
C24 C19 C20 119.6(5) . . ?
C24 C19 P1 119.3(4) . . ?
C20 C19 P1 121.0(5) . . ?
C21 C20 C19 120.3(6) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C22 120.2(6) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C23 C22 C21 119.8(6) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 120.6(6) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C19 119.5(6) . . ?
C23 C24 H24 120.3 . . ?
C19 C24 H24 120.3 . . ?
C32 C31 C44 126.5(6) . . ?
C32 C31 P2 109.8(4) . . ?
C44 C31 P2 123.6(4) . . ?
C31 C32 C37 114.3(6) . . ?
C31 C32 C33 125.1(6) . . ?
C37 C32 C33 120.7(6) . . ?
C32 C33 C34 112.3(6) . . ?
C32 C33 H33A 109.1 . . ?
C34 C33 H33A 109.1 . . ?
C32 C33 H33B 109.1 . . ?
C34 C33 H33B 109.1 . . ?
H33A C33 H33B 107.9 . . ?
C35 C34 C33 109.9(6) . . ?
C35 C34 H34A 109.7 . . ?
C33 C34 H34A 109.7 . . ?
C35 C34 H34B 109.7 . . ?
C33 C34 H34B 109.7 . . ?
H34A C34 H34B 108.2 . . ?
C34 C35 C36 110.3(6) . . ?
C34 C35 H35A 109.6 . . ?
C36 C35 H35A 109.6 . . ?
C34 C35 H35B 109.6 . . ?
C36 C35 H35B 109.6 . . ?
H35A C35 H35B 108.1 . . ?
C37 C36 C35 114.0(6) . . ?
C37 C36 H36A 108.8 . . ?
C35 C36 H36A 108.8 . . ?
C37 C36 H36B 108.8 . . ?
C35 C36 H36B 108.8 . . ?
H36A C36 H36B 107.7 . . ?
C38 C37 C32 114.1(5) . . ?
C38 C37 C36 126.6(6) . . ?
C32 C37 C36 119.3(6) . . ?
C37 C38 C39 131.9(6) . . ?
C37 C38 P2 109.9(4) . . ?
C39 C38 P2 117.9(5) . . ?
N4 C39 C40 121.5(6) . . ?
N4 C39 C38 114.3(6) . . ?
C40 C39 C38 124.2(6) . . ?
C41 C40 C39 118.4(7) . . ?
C41 C40 H40 120.8 . . ?
C39 C40 H40 120.8 . . ?
C42 C41 C40 119.5(7) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 H41 120.3 . . ?
C41 C42 C43 119.8(7) . . ?
C41 C42 H42 120.1 . . ?
C43 C42 H42 120.1 . . ?
N4 C43 C42 121.4(7) . . ?
N4 C43 H43 119.3 . . ?
C42 C43 H43 119.3 . . ?
N3 C44 C45 121.6(5) . . ?
N3 C44 C31 119.1(5) . . ?
C45 C44 C31 119.2(5) . . ?
C44 C45 C46 119.6(6) . . ?
C44 C45 H45 120.2 . . ?
C46 C45 H45 120.2 . . ?
C47 C46 C45 118.6(6) . . ?
C47 C46 H46 120.7 . . ?
C45 C46 H46 120.7 . . ?
C46 C47 C48 118.9(6) . . ?
C46 C47 H47 120.5 . . ?
C48 C47 H47 120.5 . . ?
N3 C48 C47 122.8(6) . . ?
N3 C48 H48 118.6 . . ?
C47 C48 H48 118.6 . . ?
C50 C49 C54 120.2(6) . . ?
C50 C49 P2 119.8(5) . . ?
C54 C49 P2 119.9(5) . . ?
C49 C50 C51 119.6(7) . . ?
C49 C50 H50 120.2 . . ?
C51 C50 H50 120.2 . . ?
C52 C51 C50 120.1(7) . . ?
C52 C51 H51 119.9 . . ?
C50 C51 H51 119.9 . . ?
C51 C52 C53 120.5(6) . . ?
C51 C52 H52 119.8 . . ?
C53 C52 H52 119.8 . . ?
C52 C53 C54 120.6(7) . . ?
C52 C53 H53 119.7 . . ?
C54 C53 H53 119.7 . . ?
C53 C54 C49 119.0(7) . . ?
C53 C54 H54 120.5 . . ?
C49 C54 H54 120.5 . . ?
F11 P10 F15 91.1(4) . . ?
F11 P10 F12 90.8(4) . . ?
F15 P10 F12 178.1(4) . . ?
F11 P10 F14 179.8(4) . . ?
F15 P10 F14 88.7(3) . . ?
F12 P10 F14 89.3(3) . . ?
F11 P10 F10 90.0(4) . . ?
F15 P10 F10 89.6(3) . . ?
F12 P10 F10 90.3(3) . . ?
F14 P10 F10 90.1(3) . . ?
F11 P10 F13 90.9(4) . . ?
F15 P10 F13 90.6(3) . . ?
F12 P10 F13 89.5(3) . . ?
F14 P10 F13 89.1(3) . . ?
F10 P10 F13 179.1(4) . . ?
F23 P20 F21 91.8(3) . . ?
F23 P20 F25 90.8(3) . . ?
F21 P20 F25 91.5(3) . . ?
F23 P20 F24 90.8(3) . . ?
F21 P20 F24 177.1(3) . . ?
F25 P20 F24 89.7(3) . . ?
F23 P20 F22 89.5(3) . . ?
F21 P20 F22 88.9(3) . . ?
F25 P20 F22 179.4(3) . . ?
F24 P20 F22 89.8(3) . . ?
F23 P20 F20 178.8(3) . . ?
F21 P20 F20 89.2(3) . . ?
F25 P20 F20 89.8(3) . . ?
F24 P20 F20 88.2(3) . . ?
F22 P20 F20 89.9(3) . . ?
Cl1A C90A Cl2 106.3(6) . . ?
Cl1A C90A H90A 110.5 . . ?
Cl2 C90A H90A 110.5 . . ?
Cl1A C90A H90B 110.5 . . ?
Cl2 C90A H90B 110.5 . . ?
H90A C90A H90B 108.7 . . ?
Cl11 C901 Cl12 115.5(5) . . ?
Cl11 C901 H90E 108.4 . . ?
Cl12 C901 H90E 108.4 . . ?
Cl11 C901 H90F 108.4 . . ?
Cl12 C901 H90F 108.4 . . ?
H90E C901 H90F 107.5 . . ?
Cl21 C902 Cl22 114.3(9) . . ?
Cl21 C902 H90G 108.7 . . ?
Cl22 C902 H90G 108.7 . . ?
Cl21 C902 H90H 108.7 . . ?
Cl22 C902 H90H 108.7 . . ?
H90G C902 H90H 107.6 . . ?
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
Ag1 N1 2.223(5) . ?
Ag1 P2 2.3775(15) . ?
Ag1 P1 2.6375(15) . ?
Ag1 Ag2 2.7041(6) . ?
Ag2 N3 2.207(5) . ?
Ag2 N2 2.296(5) . ?
Ag2 P1 2.4892(15) . ?
P1 C8 1.793(6) . ?
P1 C1 1.808(6) . ?
P1 C19 1.816(6) . ?
P2 C38 1.796(6) . ?
P2 C31 1.808(6) . ?
P2 C49 1.818(6) . ?
N1 C18 1.344(8) . ?
N1 C14 1.350(8) . ?
N2 C9 1.339(8) . ?
N2 C13 1.347(8) . ?
N3 C48 1.346(8) . ?
N3 C44 1.346(8) . ?
N4 C39 1.320(9) . ?
N4 C43 1.350(9) . ?
C1 C2 1.360(8) . ?
C1 C14 1.467(8) . ?
C2 C7 1.482(9) . ?
C2 C3 1.500(9) . ?
C3 C4 1.522(10) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.495(12) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.509(10) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.509(9) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.364(9) . ?
C8 C9 1.471(8) . ?
C9 C10 1.395(8) . ?
C10 C11 1.374(10) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.387(9) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.383(8) . ?
C15 C16 1.384(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.377(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.377(9) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.395(8) . ?
C19 C20 1.398(8) . ?
C20 C21 1.371(8) . ?
C20 H20 0.9500 . ?
C21 C22 1.390(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.382(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.384(8) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C31 C32 1.354(9) . ?
C31 C44 1.479(8) . ?
C32 C37 1.474(8) . ?
C32 C33 1.510(9) . ?
C33 C34 1.528(10) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.486(11) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.513(10) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.509(8) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.364(9) . ?
C38 C39 1.472(9) . ?
C39 C40 1.399(9) . ?
C40 C41 1.388(10) . ?
C40 H40 0.9500 . ?
C41 C42 1.348(12) . ?
C41 H41 0.9500 . ?
C42 C43 1.377(11) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.387(8) . ?
C45 C46 1.390(9) . ?
C45 H45 0.9500 . ?
C46 C47 1.376(9) . ?
C46 H46 0.9500 . ?
C47 C48 1.385(9) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C50 1.379(9) . ?
C49 C54 1.396(9) . ?
C50 C51 1.391(10) . ?
C50 H50 0.9500 . ?
C51 C52 1.367(12) . ?
C51 H51 0.9500 . ?
C52 C53 1.370(12) . ?
C52 H52 0.9500 . ?
C53 C54 1.384(10) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
P10 F11 1.554(6) . ?
P10 F15 1.582(6) . ?
P10 F12 1.585(5) . ?
P10 F14 1.588(5) . ?
P10 F10 1.592(6) . ?
P10 F13 1.594(6) . ?
P20 F23 1.586(5) . ?
P20 F21 1.590(5) . ?
P20 F25 1.594(5) . ?
P20 F24 1.594(4) . ?
P20 F22 1.610(5) . ?
P20 F20 1.612(5) . ?
C90A Cl1A 1.733(10) . ?
C90A Cl2 1.756(11) . ?
C90A H90A 0.9900 . ?
C90A H90B 0.9900 . ?
C901 Cl11 1.702(9) . ?
C901 Cl12 1.731(7) . ?
C901 H90E 0.9900 . ?
C901 H90F 0.9900 . ?
C902 Cl21 1.651(19) . ?
C902 Cl22 1.757(19) . ?
C902 H90G 0.9900 . ?
C902 H90H 0.9900 . ?
