#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:23:46 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179058 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/20/4302024.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_4302024
loop_
_publ_author_name
'Chelladurai Ganesamoorthy'
'Maravanji S. Balakrishna'
'Joel T. Mague'
_publ_section_title
;
Group 11 Metal Chemistry of a Tetradentate Ligand,
Phenylene-1,4-diaminotetra(phosphonite), p-C6H4[N{P(OC6H4OMe-o)2}2]2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3768
_journal_page_last               3782
_journal_paper_doi               10.1021/ic900085e
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety
'2(C102 H92 Ag4 N10 O16 P4), C4 H8 O, 8(Cl O4), 2(C H2 Cl2)'
_chemical_formula_sum            'C210 H196 Ag8 Cl12 N20 O65 P8'
_chemical_formula_weight         5576.00
_chemical_name_systematic
; 
{/m-{1,4-Bis[bis(bis(o-methoxyphenoxy)phosphino)amino]
benzene-1\kP;2\kP';3\kP";4\kP'"}tetrakis[(2,2'-bipyridyl
-\kN;\kN')silver(I)]}perchlorate Tetrahydrofuran and
Dichloromethane Solvate 
;
_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
_cell_angle_alpha                96.091(1)
_cell_angle_beta                 99.812(1)
_cell_angle_gamma                88.538(1)
_cell_formula_units_Z            1
_cell_length_a                   19.399(1)
_cell_length_b                   16.586(1)
_cell_length_c                   19.374(1)
_cell_measurement_reflns_used    8561
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      2.36
_cell_volume                     6107.6(6)
_computing_cell_refinement       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_collection       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_reduction        'Bruker SAINT+ (Bruker-AXS, 2004)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_publication_material  'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker-AXS Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0475
_diffrn_reflns_av_sigmaI/netI    0.0508
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            108634
_diffrn_reflns_theta_full        28.36
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    0.893
_exptl_absorpt_correction_T_max  0.8905
_exptl_absorpt_correction_T_min  0.8060
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Column
_exptl_crystal_F_000             2816
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.639
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1522
_refine_ls_number_reflns         30072
_refine_ls_number_restraints     86
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_gt           0.0516
_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)+(0.0811P)²+8.3342P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1427
_refine_ls_wR_factor_ref         0.1508
_reflns_number_gt                23713
_reflns_number_total             30072
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic900085e_si_001_06.cif
_cod_data_source_block           msb316
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        6107.8(7)
_cod_database_code               4302024
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 -0.006188(15) 0.788327(19) 0.275720(15) 0.02200(7) Uani 1 1 d . . .
Ag2 Ag -0.005167(15) 0.601538(19) 0.246015(14) 0.02098(7) Uani 1 1 d . . .
Ag3 Ag 0.474042(15) 0.869388(18) 0.687933(15) 0.02019(7) Uani 1 1 d . . .
Ag4 Ag 0.489874(14) 0.704119(17) 0.738070(14) 0.01788(7) Uani 1 1 d . . .
P1 P 0.09976(5) 0.77194(6) 0.34824(5) 0.01772(19) Uani 1 1 d . . .
P2 P 0.08392(5) 0.59743(6) 0.34229(5) 0.01606(18) Uani 1 1 d . . .
P3 P 0.38306(5) 0.82081(6) 0.60227(5) 0.01519(18) Uani 1 1 d . . .
P4 P 0.40494(5) 0.65720(6) 0.64298(5) 0.01420(18) Uani 1 1 d . . .
O1 O 0.10309(14) 0.82456(17) 0.42349(14) 0.0225(6) Uani 1 1 d . . .
O2 O -0.02161(14) 0.89774(18) 0.39842(17) 0.0275(6) Uani 1 1 d . . .
O3 O 0.16870(14) 0.80528(17) 0.32432(14) 0.0213(6) Uani 1 1 d . . .
O4 O 0.1706(2) 0.6841(2) 0.22394(18) 0.0442(9) Uani 1 1 d . . .
O5 O 0.14993(13) 0.54133(16) 0.32657(14) 0.0189(5) Uani 1 1 d . . .
O6 O 0.07834(16) 0.46536(19) 0.20705(15) 0.0313(7) Uani 1 1 d . . .
O7 O 0.06720(13) 0.55646(16) 0.40919(13) 0.0172(5) Uani 1 1 d . . .
O8 O -0.01639(16) 0.67464(18) 0.44611(16) 0.0284(6) Uani 1 1 d . . .
O9 O 0.39824(14) 0.82480(16) 0.52372(13) 0.0182(5) Uani 1 1 d . . .
O10 O 0.43605(15) 0.97691(16) 0.57662(15) 0.0235(6) Uani 1 1 d . . .
O11 O 0.31043(13) 0.86996(15) 0.59639(13) 0.0163(5) Uani 1 1 d . . .
O12 O 0.30140(17) 0.81640(18) 0.72055(15) 0.0300(7) Uani 1 1 d . . .
O13 O 0.34216(13) 0.60820(16) 0.66518(13) 0.0164(5) Uani 1 1 d . . .
O14 O 0.40057(17) 0.6145(2) 0.80194(15) 0.0331(7) Uani 1 1 d . . .
O15 O 0.42828(13) 0.58996(16) 0.58483(13) 0.0166(5) Uani 1 1 d . . .
O16 O 0.50929(16) 0.68894(18) 0.53614(18) 0.0305(7) Uani 1 1 d . . .
N1 N -0.05930(18) 0.8563(2) 0.1858(2) 0.0279(8) Uani 1 1 d . . .
N2 N -0.12119(17) 0.7588(2) 0.25913(17) 0.0215(7) Uani 1 1 d . . .
N3 N -0.04147(18) 0.6422(2) 0.13674(17) 0.0248(7) Uani 1 1 d . . .
N4 N -0.11143(18) 0.5463(2) 0.20408(18) 0.0267(8) Uani 1 1 d . . .
N5 N 0.12580(15) 0.68210(19) 0.37729(15) 0.0156(6) Uani 1 1 d . . .
N6 N 0.35769(15) 0.72381(19) 0.59556(15) 0.0153(6) Uani 1 1 d . . .
N7 N 0.49987(18) 0.9771(2) 0.76997(18) 0.0252(7) Uani 1 1 d . . .
N8 N 0.59072(16) 0.8703(2) 0.71912(16) 0.0197(7) Uani 1 1 d . . .
N9 N 0.51641(18) 0.7895(2) 0.83978(17) 0.0230(7) Uani 1 1 d . . .
N10 N 0.60257(16) 0.6805(2) 0.78564(17) 0.0215(7) Uani 1 1 d . . .
C1 C 0.1003(2) 0.9092(2) 0.4241(2) 0.0231(8) Uani 1 1 d . . .
C2 C 0.1620(2) 0.9523(3) 0.4387(3) 0.0338(10) Uani 1 1 d . . .
H2 H 0.2058 0.9251 0.4483 0.041 Uiso 1 1 calc R . .
C3 C 0.1590(3) 1.0360(3) 0.4392(3) 0.0415(13) Uani 1 1 d . . .
H3 H 0.2009 1.0666 0.4487 0.050 Uiso 1 1 calc R . .
C4 C 0.0953(3) 1.0747(3) 0.4258(3) 0.0428(13) Uani 1 1 d . . .
H4 H 0.0938 1.1320 0.4257 0.051 Uiso 1 1 calc R . .
C5 C 0.0332(3) 1.0318(3) 0.4126(3) 0.0363(11) Uani 1 1 d . . .
H5 H -0.0104 1.0596 0.4043 0.044 Uiso 1 1 calc R . .
C6 C 0.0350(2) 0.9476(3) 0.4116(2) 0.0250(8) Uani 1 1 d . . .
C7 C -0.0895(2) 0.9360(3) 0.3881(3) 0.0349(10) Uani 1 1 d . . .
H7A H -0.0931 0.9764 0.4281 0.052 Uiso 1 1 calc R . .
H7B H -0.1258 0.8949 0.3844 0.052 Uiso 1 1 calc R . .
H7C H -0.0960 0.9627 0.3446 0.052 Uiso 1 1 calc R . .
C8 C 0.1667(2) 0.8233(3) 0.2551(2) 0.0263(9) Uani 1 1 d . . .
C9 C 0.1623(2) 0.9021(3) 0.2401(2) 0.0298(9) Uani 1 1 d . . .
H9 H 0.1568 0.9446 0.2757 0.036 Uiso 1 1 calc R . .
C10 C 0.1661(2) 0.9198(3) 0.1721(3) 0.0400(12) Uani 1 1 d . . .
H10 H 0.1642 0.9746 0.1615 0.048 Uiso 1 1 calc R . .
C11 C 0.1724(3) 0.8578(4) 0.1203(3) 0.0493(15) Uani 1 1 d . . .
H11 H 0.1752 0.8699 0.0740 0.059 Uiso 1 1 calc R . .
C12 C 0.1748(3) 0.7782(4) 0.1352(3) 0.0460(13) Uani 1 1 d . . .
H12 H 0.1790 0.7357 0.0992 0.055 Uiso 1 1 calc R . .
C13 C 0.1710(3) 0.7601(3) 0.2033(3) 0.0359(11) Uani 1 1 d . . .
C14 C 0.1843(3) 0.6170(3) 0.1746(3) 0.0501(14) Uani 1 1 d . . .
H14A H 0.1455 0.6114 0.1349 0.075 Uiso 1 1 calc R . .
H14B H 0.1892 0.5671 0.1980 0.075 Uiso 1 1 calc R . .
H14C H 0.2277 0.6269 0.1574 0.075 Uiso 1 1 calc R . .
C15 C 0.14136(19) 0.4568(2) 0.3203(2) 0.0201(8) Uani 1 1 d . . .
C16 C 0.1703(2) 0.4144(3) 0.3756(2) 0.0256(9) Uani 1 1 d . . .
H16 H 0.1947 0.4423 0.4177 0.031 Uiso 1 1 calc R . .
C17 C 0.1637(2) 0.3305(3) 0.3697(3) 0.0325(10) Uani 1 1 d . . .
H17 H 0.1841 0.3007 0.4074 0.039 Uiso 1 1 calc R . .
C18 C 0.1278(2) 0.2912(3) 0.3094(3) 0.0343(10) Uani 1 1 d . . .
H18 H 0.1234 0.2339 0.3053 0.041 Uiso 1 1 calc R . .
C19 C 0.0975(2) 0.3340(3) 0.2542(3) 0.0316(10) Uani 1 1 d . . .
H19 H 0.0717 0.3059 0.2129 0.038 Uiso 1 1 calc R . .
C20 C 0.1045(2) 0.4170(3) 0.2584(2) 0.0236(8) Uani 1 1 d . . .
C21 C 0.0379(3) 0.4253(3) 0.1446(3) 0.0543(17) Uani 1 1 d . . .
H21A H 0.0657 0.3813 0.1249 0.081 Uiso 1 1 calc R . .
H21B H 0.0247 0.4643 0.1100 0.081 Uiso 1 1 calc R . .
H21C H -0.0045 0.4030 0.1563 0.081 Uiso 1 1 calc R . .
C22 C -0.00126(19) 0.5372(2) 0.41437(19) 0.0193(7) Uani 1 1 d . . .
C23 C -0.0230(2) 0.4578(3) 0.4011(2) 0.0241(8) Uani 1 1 d . . .
H23 H 0.0072 0.4164 0.3855 0.029 Uiso 1 1 calc R . .
C24 C -0.0900(2) 0.4394(3) 0.4108(2) 0.0308(10) Uani 1 1 d . . .
H24 H -0.1058 0.3849 0.4022 0.037 Uiso 1 1 calc R . .
C25 C -0.1335(2) 0.5002(3) 0.4329(2) 0.0321(10) Uani 1 1 d . . .
H25 H -0.1791 0.4869 0.4395 0.039 Uiso 1 1 calc R . .
C26 C -0.1120(2) 0.5800(3) 0.4457(2) 0.0278(9) Uani 1 1 d . . .
H26 H -0.1427 0.6213 0.4606 0.033 Uiso 1 1 calc R . .
C27 C -0.0447(2) 0.5992(3) 0.4366(2) 0.0216(8) Uani 1 1 d . . .
C28 C -0.0489(3) 0.7359(3) 0.4871(3) 0.0359(11) Uani 1 1 d . . .
H28A H -0.0964 0.7462 0.4629 0.054 Uiso 1 1 calc R . .
H28B H -0.0217 0.7859 0.4934 0.054 Uiso 1 1 calc R . .
H28C H -0.0510 0.7179 0.5332 0.054 Uiso 1 1 calc R . .
C29 C -0.0260(2) 0.9058(3) 0.1513(3) 0.0370(11) Uani 1 1 d . . .
H29 H 0.0214 0.9189 0.1693 0.044 Uiso 1 1 calc R . .
C30 C -0.0580(3) 0.9381(3) 0.0909(3) 0.0363(11) Uani 1 1 d . . .
H30 H -0.0331 0.9727 0.0679 0.044 Uiso 1 1 calc R . .
C31 C -0.1271(2) 0.9189(3) 0.0648(2) 0.0315(10) Uani 1 1 d . . .
H31 H -0.1504 0.9397 0.0231 0.038 Uiso 1 1 calc R . .
C32 C -0.1620(2) 0.8687(3) 0.1005(2) 0.0251(9) Uani 1 1 d . . .
H32 H -0.2098 0.8557 0.0838 0.030 Uiso 1 1 calc R . .
C33 C -0.1263(2) 0.8379(2) 0.1607(2) 0.0209(8) Uani 1 1 d . . .
C34 C -0.1613(2) 0.7848(2) 0.20134(19) 0.0193(7) Uani 1 1 d . . .
C35 C -0.2306(2) 0.7627(3) 0.1823(2) 0.0242(8) Uani 1 1 d . . .
H35 H -0.2577 0.7798 0.1407 0.029 Uiso 1 1 calc R . .
C36 C -0.2608(2) 0.7154(3) 0.2240(2) 0.0277(9) Uani 1 1 d . . .
H36 H -0.3085 0.7002 0.2116 0.033 Uiso 1 1 calc R . .
C37 C -0.2200(2) 0.6909(3) 0.2842(2) 0.0266(9) Uani 1 1 d . . .
H37 H -0.2391 0.6594 0.3144 0.032 Uiso 1 1 calc R . .
C38 C -0.1508(2) 0.7136(3) 0.2988(2) 0.0271(9) Uani 1 1 d . . .
H38 H -0.1225 0.6960 0.3395 0.033 Uiso 1 1 calc R . .
C39 C -0.0047(2) 0.6893(3) 0.1047(2) 0.0309(10) Uani 1 1 d . . .
H39 H 0.0419 0.7023 0.1263 0.037 Uiso 1 1 calc R . .
C40 C -0.0308(3) 0.7202(3) 0.0415(2) 0.0361(11) Uani 1 1 d . . .
H40 H -0.0028 0.7529 0.0201 0.043 Uiso 1 1 calc R . .
C41 C -0.0988(3) 0.7017(3) 0.0110(2) 0.0353(11) Uani 1 1 d . . .
H41 H -0.1191 0.7227 -0.0316 0.042 Uiso 1 1 calc R . .
C42 C -0.1373(3) 0.6522(3) 0.0434(2) 0.0342(10) Uani 1 1 d . . .
H42 H -0.1840 0.6383 0.0226 0.041 Uiso 1 1 calc R . .
C43 C -0.1072(2) 0.6229(3) 0.1064(2) 0.0235(8) Uani 1 1 d . . .
C44 C -0.1461(2) 0.5707(3) 0.1435(2) 0.0243(8) Uani 1 1 d . . .
C45 C -0.2149(2) 0.5483(3) 0.1184(2) 0.0359(11) Uani 1 1 d . . .
H45 H -0.2392 0.5665 0.0760 0.043 Uiso 1 1 calc R . .
C46 C -0.2478(2) 0.4994(3) 0.1559(3) 0.0412(12) Uani 1 1 d . . .
H46 H -0.2948 0.4832 0.1393 0.049 Uiso 1 1 calc R . .
C47 C -0.2123(3) 0.4744(3) 0.2172(3) 0.0399(12) Uani 1 1 d . . .
H47 H -0.2341 0.4403 0.2434 0.048 Uiso 1 1 calc R . .
C48 C -0.1447(2) 0.4994(3) 0.2400(3) 0.0355(11) Uani 1 1 d . . .
H48 H -0.1204 0.4828 0.2830 0.043 Uiso 1 1 calc R . .
C49 C 0.18533(18) 0.6819(2) 0.43437(18) 0.0160(7) Uani 1 1 d . . .
C50 C 0.17437(19) 0.6981(2) 0.50326(19) 0.0174(7) Uani 1 1 d . . .
H50 H 0.1281 0.7028 0.5134 0.021 Uiso 1 1 calc R . .
C51 C 0.23134(19) 0.7076(2) 0.55726(19) 0.0172(7) Uani 1 1 d . . .
H51 H 0.2247 0.7189 0.6048 0.021 Uiso 1 1 calc R . .
C52 C 0.29853(18) 0.7002(2) 0.54083(18) 0.0150(7) Uani 1 1 d . . .
C53 C 0.30950(18) 0.6793(2) 0.47268(19) 0.0160(7) Uani 1 1 d . . .
H53 H 0.3557 0.6714 0.4629 0.019 Uiso 1 1 calc R . .
C54 C 0.25200(19) 0.6696(2) 0.41815(19) 0.0172(7) Uani 1 1 d . . .
H54 H 0.2585 0.6550 0.3709 0.021 Uiso 1 1 calc R . .
C55 C 0.37963(19) 0.8896(2) 0.4833(2) 0.0177(7) Uani 1 1 d . . .
C56 C 0.3441(2) 0.8715(3) 0.4154(2) 0.0240(8) Uani 1 1 d . . .
H56 H 0.3318 0.8172 0.3979 0.029 Uiso 1 1 calc R . .
C57 C 0.3266(2) 0.9343(3) 0.3735(2) 0.0288(9) Uani 1 1 d . . .
H57 H 0.3033 0.9229 0.3263 0.035 Uiso 1 1 calc R . .
C58 C 0.3429(2) 1.0127(3) 0.4002(2) 0.0296(9) Uani 1 1 d . . .
H58 H 0.3292 1.0555 0.3717 0.036 Uiso 1 1 calc R . .
C59 C 0.3791(2) 1.0305(3) 0.4680(2) 0.0257(9) Uani 1 1 d . . .
H59 H 0.3902 1.0850 0.4858 0.031 Uiso 1 1 calc R . .
C60 C 0.3991(2) 0.9682(2) 0.5097(2) 0.0207(8) Uani 1 1 d . . .
C61 C 0.4606(2) 1.0568(2) 0.6038(2) 0.0272(9) Uani 1 1 d . . .
H61A H 0.4894 1.0766 0.5723 0.041 Uiso 1 1 calc R . .
H61B H 0.4886 1.0551 0.6508 0.041 Uiso 1 1 calc R . .
H61C H 0.4204 1.0933 0.6069 0.041 Uiso 1 1 calc R . .
C62 C 0.29564(19) 0.9257(2) 0.6519(2) 0.0190(7) Uani 1 1 d . . .
C63 C 0.2848(2) 1.0055(3) 0.6407(2) 0.0240(8) Uani 1 1 d . . .
H63 H 0.2896 1.0234 0.5968 0.029 Uiso 1 1 calc R . .
C64 C 0.2667(2) 1.0601(3) 0.6945(2) 0.0281(9) Uani 1 1 d . . .
H64 H 0.2595 1.1158 0.6878 0.034 Uiso 1 1 calc R . .
C65 C 0.2594(2) 1.0328(3) 0.7572(2) 0.0319(10) Uani 1 1 d . . .
H65 H 0.2474 1.0703 0.7939 0.038 Uiso 1 1 calc R . .
C66 C 0.2691(2) 0.9522(3) 0.7685(2) 0.0291(9) Uani 1 1 d . . .
H66 H 0.2632 0.9348 0.8123 0.035 Uiso 1 1 calc R . .
C67 C 0.2876(2) 0.8969(3) 0.7159(2) 0.0233(8) Uani 1 1 d . . .
C68 C 0.2799(3) 0.7825(3) 0.7788(2) 0.0344(10) Uani 1 1 d . . .
H68A H 0.3046 0.8098 0.8231 0.052 Uiso 1 1 calc R . .
H68B H 0.2913 0.7245 0.7763 0.052 Uiso 1 1 calc R . .
H68C H 0.2294 0.7901 0.7766 0.052 Uiso 1 1 calc R . .
C69 C 0.36344(18) 0.5355(2) 0.6944(2) 0.0196(8) Uani 1 1 d . . .
C70 C 0.3527(2) 0.4631(3) 0.6534(2) 0.0242(8) Uani 1 1 d . . .
H70 H 0.3298 0.4618 0.6059 0.029 Uiso 1 1 calc R . .
C71 C 0.3754(2) 0.3918(3) 0.6816(3) 0.0320(10) Uani 1 1 d . . .
H71 H 0.3680 0.3412 0.6535 0.038 Uiso 1 1 calc R . .
C72 C 0.4086(2) 0.3944(3) 0.7507(3) 0.0392(12) Uani 1 1 d . . .
H72 H 0.4247 0.3455 0.7696 0.047 Uiso 1 1 calc R . .
C73 C 0.4189(2) 0.4671(3) 0.7928(3) 0.0367(11) Uani 1 1 d . . .
H73 H 0.4417 0.4679 0.8403 0.044 Uiso 1 1 calc R . .
C74 C 0.3957(2) 0.5394(3) 0.7654(2) 0.0259(9) Uani 1 1 d . . .
C75 C 0.4352(4) 0.6190(4) 0.8746(2) 0.0591(19) Uani 1 1 d . . .
H75A H 0.4119 0.5829 0.9002 0.089 Uiso 1 1 calc R . .
H75B H 0.4330 0.6749 0.8965 0.089 Uiso 1 1 calc R . .
H75C H 0.4843 0.6023 0.8764 0.089 Uiso 1 1 calc R . .
C76 C 0.49855(19) 0.5691(2) 0.5855(2) 0.0187(7) Uani 1 1 d . . .
C77 C 0.5237(2) 0.4975(2) 0.6108(2) 0.0221(8) Uani 1 1 d . . .
H77 H 0.4947 0.4646 0.6310 0.027 Uiso 1 1 calc R . .
C78 C 0.5922(2) 0.4741(3) 0.6062(2) 0.0266(9) Uani 1 1 d . . .
H78 H 0.6105 0.4250 0.6233 0.032 Uiso 1 1 calc R . .
C79 C 0.6335(2) 0.5225(3) 0.5769(2) 0.0284(9) Uani 1 1 d . . .
H79 H 0.6801 0.5058 0.5731 0.034 Uiso 1 1 calc R . .
C80 C 0.6088(2) 0.5950(3) 0.5528(2) 0.0273(9) Uani 1 1 d . . .
H80 H 0.6382 0.6281 0.5333 0.033 Uiso 1 1 calc R . .
C81 C 0.5406(2) 0.6189(2) 0.5571(2) 0.0225(8) Uani 1 1 d . . .
C82 C 0.5472(3) 0.7354(3) 0.4967(3) 0.0363(11) Uani 1 1 d . . .
H82A H 0.5900 0.7563 0.5270 0.054 Uiso 1 1 calc R . .
H82B H 0.5180 0.7808 0.4800 0.054 Uiso 1 1 calc R . .
H82C H 0.5594 0.7007 0.4563 0.054 Uiso 1 1 calc R . .
C83 C 0.6339(2) 0.8177(3) 0.6901(2) 0.0238(8) Uani 1 1 d . . .
H83 H 0.6141 0.7760 0.6555 0.029 Uiso 1 1 calc R . .
C84 C 0.7058(2) 0.8214(3) 0.7083(2) 0.0291(9) Uani 1 1 d . . .
H84 H 0.7350 0.7838 0.6861 0.035 Uiso 1 1 calc R . .
C85 C 0.7341(2) 0.8817(3) 0.7600(2) 0.0350(11) Uani 1 1 d . . .
H85 H 0.7834 0.8859 0.7743 0.042 Uiso 1 1 calc R . .
C86 C 0.6899(2) 0.9352(3) 0.7901(2) 0.0292(9) Uani 1 1 d . . .
H86 H 0.7085 0.9767 0.8254 0.035 Uiso 1 1 calc R . .
C87 C 0.6183(2) 0.9287(2) 0.76899(19) 0.0207(8) Uani 1 1 d . . .
C88 C 0.5677(2) 0.9860(3) 0.7988(2) 0.0226(8) Uani 1 1 d . . .
C89 C 0.5885(3) 1.0449(3) 0.8542(2) 0.0320(10) Uani 1 1 d . . .
H89 H 0.6364 1.0504 0.8749 0.038 Uiso 1 1 calc R . .
C90 C 0.5380(3) 1.0960(3) 0.8793(2) 0.0385(11) Uani 1 1 d . . .
H90 H 0.5513 1.1366 0.9174 0.046 Uiso 1 1 calc R . .
C91 C 0.4694(3) 1.0872(3) 0.8488(3) 0.0358(11) Uani 1 1 d . . .
H91 H 0.4344 1.1221 0.8645 0.043 Uiso 1 1 calc R . .
C92 C 0.4523(2) 1.0269(3) 0.7948(2) 0.0319(10) Uani 1 1 d . . .
H92 H 0.4045 1.0202 0.7740 0.038 Uiso 1 1 calc R . .
C93 C 0.4704(2) 0.8387(3) 0.8682(2) 0.0316(10) Uani 1 1 d . . .
H93 H 0.4229 0.8377 0.8456 0.038 Uiso 1 1 calc R . .
C94 C 0.4889(3) 0.8907(3) 0.9287(2) 0.0369(11) Uani 1 1 d . . .
H94 H 0.4549 0.9240 0.9479 0.044 Uiso 1 1 calc R . .
C95 C 0.5572(3) 0.8930(3) 0.9600(2) 0.0390(12) Uani 1 1 d . . .
H95 H 0.5715 0.9289 1.0013 0.047 Uiso 1 1 calc R . .
C96 C 0.6060(3) 0.8429(3) 0.9316(2) 0.0334(10) Uani 1 1 d . . .
H96 H 0.6539 0.8445 0.9528 0.040 Uiso 1 1 calc R . .
C97 C 0.5834(2) 0.7903(2) 0.8715(2) 0.0219(8) Uani 1 1 d . . .
C98 C 0.6316(2) 0.7321(3) 0.83956(19) 0.0214(8) Uani 1 1 d . . .
C99 C 0.7033(2) 0.7316(3) 0.8642(2) 0.0327(10) Uani 1 1 d . . .
H99 H 0.7229 0.7685 0.9030 0.039 Uiso 1 1 calc R . .
C100 C 0.7457(2) 0.6773(3) 0.8319(2) 0.0378(12) Uani 1 1 d . . .
H100 H 0.7949 0.6766 0.8476 0.045 Uiso 1 1 calc R . .
C101 C 0.7150(2) 0.6234(3) 0.7756(2) 0.0369(11) Uani 1 1 d . . .
H101 H 0.7427 0.5848 0.7524 0.044 Uiso 1 1 calc R . .
C102 C 0.6440(2) 0.6272(3) 0.7544(2) 0.0306(10) Uani 1 1 d . . .
H102 H 0.6231 0.5906 0.7159 0.037 Uiso 1 1 calc R . .
Cl1 Cl 0.27329(5) 0.22918(6) 0.53553(5) 0.02365(19) Uani 1 1 d . . .
O17 O 0.26661(18) 0.31627(19) 0.53983(18) 0.0358(8) Uani 1 1 d . . .
O18 O 0.33499(16) 0.20736(19) 0.58235(17) 0.0312(7) Uani 1 1 d . . .
O19 O 0.21280(17) 0.1955(2) 0.5549(2) 0.0452(9) Uani 1 1 d . . .
O20 O 0.27938(17) 0.1985(2) 0.46476(16) 0.0337(7) Uani 1 1 d . . .
Cl2 Cl 0.91900(5) 0.85959(7) 0.87692(5) 0.0291(2) Uani 1 1 d . . .
O21 O 0.91205(19) 0.8794(2) 0.80569(18) 0.0448(9) Uani 1 1 d . . .
O22 O 0.9719(2) 0.7974(3) 0.8883(2) 0.0573(11) Uani 1 1 d . . .
O23 O 0.9385(2) 0.9298(2) 0.9232(2) 0.0513(10) Uani 1 1 d . . .
O24 O 0.85413(19) 0.8302(3) 0.8887(2) 0.0517(10) Uani 1 1 d . . .
Cl3 Cl 0.61571(7) 0.67480(9) 0.04259(6) 0.0455(3) Uani 1 1 d . . .
O25 O 0.6818(2) 0.6916(3) 0.0219(2) 0.0583(11) Uani 1 1 d . . .
O26 O 0.6019(3) 0.7350(4) 0.0960(3) 0.094(2) Uani 1 1 d . . .
O27 O 0.6218(3) 0.5987(3) 0.0703(3) 0.0735(14) Uani 1 1 d . . .
O28 O 0.5611(2) 0.6728(3) -0.0162(2) 0.0678(14) Uani 1 1 d . . .
Cl4 Cl 0.28356(11) 0.95050(19) 0.97052(10) 0.0471(7) Uani 0.698(6) 1 d PDU A 1
O29 O 0.3101(3) 1.0134(4) 0.9366(3) 0.0658(17) Uani 0.698(6) 1 d PDU A 1
O30 O 0.3393(3) 0.8945(4) 0.9874(4) 0.0683(18) Uani 0.698(6) 1 d PDU A 1
Cl4A Cl 0.2833(3) 0.9275(4) 0.9807(2) 0.0471(7) Uani 0.302(6) 1 d PDU A 2
O29A O 0.3347(6) 0.9552(9) 0.9434(6) 0.0658(17) Uani 0.302(6) 1 d PDU A 2
O30A O 0.3069(7) 0.8536(7) 1.0097(7) 0.0683(18) Uani 0.302(6) 1 d PDU A 2
O31 O 0.22386(16) 0.9117(3) 0.92645(18) 0.0540(11) Uani 1 1 d D . .
O32 O 0.2654(2) 0.9881(3) 1.03418(16) 0.0604(12) Uani 1 1 d D . .
C103 C 0.0390(5) 0.8421(7) 0.7293(5) 0.041(2) Uani 0.50 1 d P . .
H10A H -0.0058 0.8683 0.7110 0.049 Uiso 0.50 1 calc PR . .
H10B H 0.0297 0.8030 0.7618 0.049 Uiso 0.50 1 calc PR . .
Cl5 Cl 0.09434(16) 0.91180(19) 0.7726(2) 0.0651(9) Uani 0.50 1 d P . .
Cl6 Cl 0.0737(2) 0.7909(3) 0.65958(15) 0.0904(16) Uani 0.50 1 d P . .
C104 C 0.1347(7) 0.7291(10) 0.9246(7) 0.070(4) Uani 0.50 1 d P . .
H10C H 0.1810 0.7544 0.9412 0.084 Uiso 0.50 1 calc PR . .
H10D H 0.0982 0.7692 0.9350 0.084 Uiso 0.50 1 calc PR . .
Cl7 Cl 0.12814(19) 0.6444(3) 0.96674(17) 0.0750(11) Uani 0.50 1 d P . .
Cl8 Cl 0.1232(2) 0.6982(2) 0.8283(2) 0.0784(11) Uani 0.50 1 d P . .
O33 O 0.3864(4) 0.7021(3) 0.3212(3) 0.0311(14) Uani 0.50 1 d P . .
C105 C 0.4511(4) 0.7355(6) 0.3199(4) 0.0274(18) Uani 0.50 1 d PU . .
H10E H 0.4878 0.6928 0.3223 0.033 Uiso 0.50 1 calc PR . .
H10F H 0.4635 0.7770 0.3605 0.033 Uiso 0.50 1 calc PR . .
C106 C 0.4448(7) 0.7723(8) 0.2535(7) 0.059(3) Uani 0.50 1 d PU . .
H10G H 0.4709 0.7400 0.2204 0.071 Uiso 0.50 1 calc PR . .
H10H H 0.4634 0.8282 0.2620 0.071 Uiso 0.50 1 calc PR . .
C107 C 0.3553(7) 0.7730(8) 0.2196(7) 0.059(3) Uani 0.50 1 d PU . .
H10I H 0.3316 0.8249 0.2313 0.071 Uiso 0.50 1 calc PR . .
H10J H 0.3442 0.7552 0.1686 0.071 Uiso 0.50 1 calc PR . .
C108 C 0.3457(6) 0.7127(8) 0.2625(5) 0.047(3) Uani 0.50 1 d PU . .
H10K H 0.2980 0.7210 0.2739 0.057 Uiso 0.50 1 calc PR . .
H10L H 0.3450 0.6604 0.2326 0.057 Uiso 0.50 1 calc PR . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 Ag1 N1 73.09(12) . . ?
N2 Ag1 P1 143.67(9) . . ?
N1 Ag1 P1 142.88(9) . . ?
N2 Ag1 Ag2 77.76(9) . . ?
N1 Ag1 Ag2 115.68(10) . . ?
P1 Ag1 Ag2 85.55(3) . . ?
N4 Ag2 N3 72.57(13) . . ?
N4 Ag2 P2 139.30(10) . . ?
N3 Ag2 P2 147.79(9) . . ?
N4 Ag2 Ag1 114.55(10) . . ?
N3 Ag2 Ag1 77.32(9) . . ?
P2 Ag2 Ag1 88.46(3) . . ?
N8 Ag3 N7 73.51(12) . . ?
N8 Ag3 P3 144.06(9) . . ?
N7 Ag3 P3 139.67(9) . . ?
N8 Ag3 Ag4 82.71(8) . . ?
N7 Ag3 Ag4 117.23(9) . . ?
P3 Ag3 Ag4 88.75(3) . . ?
N10 Ag4 N9 72.16(12) . . ?
N10 Ag4 P4 140.53(9) . . ?
N9 Ag4 P4 147.25(9) . . ?
N10 Ag4 Ag3 110.55(9) . . ?
N9 Ag4 Ag3 76.57(9) . . ?
P4 Ag4 Ag3 88.85(3) . . ?
O1 P1 O3 99.86(15) . . ?
O1 P1 N5 98.32(15) . . ?
O3 P1 N5 103.77(15) . . ?
O1 P1 Ag1 111.69(11) . . ?
O3 P1 Ag1 117.30(11) . . ?
N5 P1 Ag1 122.18(11) . . ?
O7 P2 O5 98.54(14) . . ?
O7 P2 N5 104.09(15) . . ?
O5 P2 N5 99.43(15) . . ?
O7 P2 Ag2 117.75(10) . . ?
O5 P2 Ag2 114.06(10) . . ?
N5 P2 Ag2 119.54(11) . . ?
O11 P3 O9 99.19(14) . . ?
O11 P3 N6 102.99(15) . . ?
O9 P3 N6 99.52(15) . . ?
O11 P3 Ag3 117.62(10) . . ?
O9 P3 Ag3 113.06(11) . . ?
N6 P3 Ag3 120.95(11) . . ?
O15 P4 O13 99.18(14) . . ?
O15 P4 N6 104.10(14) . . ?
O13 P4 N6 99.47(14) . . ?
O15 P4 Ag4 117.74(10) . . ?
O13 P4 Ag4 113.68(10) . . ?
N6 P4 Ag4 119.39(11) . . ?
C1 O1 P1 117.3(2) . . ?
C6 O2 C7 116.9(3) . . ?
C8 O3 P1 120.3(2) . . ?
C13 O4 C14 117.6(4) . . ?
C15 O5 P2 117.4(2) . . ?
C20 O6 C21 116.0(4) . . ?
C22 O7 P2 120.9(2) . . ?
C27 O8 C28 117.2(3) . . ?
C55 O9 P3 124.9(2) . . ?
C60 O10 C61 116.8(3) . . ?
C62 O11 P3 121.2(2) . . ?
C67 O12 C68 116.4(3) . . ?
C69 O13 P4 114.3(2) . . ?
C74 O14 C75 116.5(4) . . ?
C76 O15 P4 121.2(2) . . ?
C81 O16 C82 116.2(3) . . ?
C33 N1 C29 118.7(4) . . ?
C33 N1 Ag1 116.3(3) . . ?
C29 N1 Ag1 124.4(3) . . ?
C38 N2 C34 118.4(3) . . ?
C38 N2 Ag1 125.0(3) . . ?
C34 N2 Ag1 116.4(3) . . ?
C39 N3 C43 118.8(4) . . ?
C39 N3 Ag2 124.8(3) . . ?
C43 N3 Ag2 116.1(3) . . ?
C48 N4 C44 118.6(4) . . ?
C48 N4 Ag2 123.9(3) . . ?
C44 N4 Ag2 116.9(3) . . ?
C49 N5 P2 121.7(2) . . ?
C49 N5 P1 117.6(2) . . ?
P2 N5 P1 120.66(17) . . ?
C52 N6 P4 122.7(2) . . ?
C52 N6 P3 116.3(2) . . ?
P4 N6 P3 120.51(18) . . ?
C92 N7 C88 119.1(4) . . ?
C92 N7 Ag3 124.6(3) . . ?
C88 N7 Ag3 116.0(3) . . ?
C83 N8 C87 118.8(3) . . ?
C83 N8 Ag3 124.0(3) . . ?
C87 N8 Ag3 117.1(3) . . ?
C97 N9 C93 118.8(4) . . ?
C97 N9 Ag4 116.3(3) . . ?
C93 N9 Ag4 124.9(3) . . ?
C98 N10 C102 118.8(4) . . ?
C98 N10 Ag4 117.3(3) . . ?
C102 N10 Ag4 122.8(3) . . ?
C2 C1 C6 121.9(4) . . ?
C2 C1 O1 119.1(4) . . ?
C6 C1 O1 119.0(4) . . ?
C1 C2 C3 118.8(4) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 120.0(4) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 121.3(5) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C4 C5 C6 119.7(4) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
O2 C6 C5 126.0(4) . . ?
O2 C6 C1 115.7(4) . . ?
C5 C6 C1 118.2(4) . . ?
O2 C7 H7A 109.5 . . ?
O2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C13 121.4(4) . . ?
C9 C8 O3 120.0(4) . . ?
C13 C8 O3 118.6(4) . . ?
C8 C9 C10 119.5(5) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C11 C10 C9 119.8(5) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C10 C11 C12 120.4(5) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C13 120.0(5) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
O4 C13 C8 115.8(4) . . ?
O4 C13 C12 125.5(5) . . ?
C8 C13 C12 118.8(5) . . ?
O4 C14 H14A 109.5 . . ?
O4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
O4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 121.0(4) . . ?
C16 C15 O5 119.0(3) . . ?
C20 C15 O5 120.0(4) . . ?
C15 C16 C17 119.8(4) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C18 C17 C16 119.6(4) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C19 120.7(4) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C20 C19 C18 120.6(4) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
O6 C20 C19 125.9(4) . . ?
O6 C20 C15 115.8(4) . . ?
C19 C20 C15 118.3(4) . . ?
O6 C21 H21A 109.5 . . ?
O6 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O6 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C27 121.8(4) . . ?
C23 C22 O7 119.9(3) . . ?
C27 C22 O7 118.3(4) . . ?
C22 C23 C24 118.9(4) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C25 C24 C23 119.9(4) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C25 C26 121.3(4) . . ?
C24 C25 H25 119.3 . . ?
C26 C25 H25 119.3 . . ?
C25 C26 C27 119.2(4) . . ?
C25 C26 H26 120.4 . . ?
C27 C26 H26 120.4 . . ?
O8 C27 C22 115.0(3) . . ?
O8 C27 C26 126.2(4) . . ?
C22 C27 C26 118.8(4) . . ?
O8 C28 H28A 109.5 . . ?
O8 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
O8 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N1 C29 C30 122.9(4) . . ?
N1 C29 H29 118.5 . . ?
C30 C29 H29 118.5 . . ?
C29 C30 C31 118.4(4) . . ?
C29 C30 H30 120.8 . . ?
C31 C30 H30 120.8 . . ?
C30 C31 C32 119.1(4) . . ?
C30 C31 H31 120.5 . . ?
C32 C31 H31 120.5 . . ?
C33 C32 C31 119.4(4) . . ?
C33 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
N1 C33 C32 121.5(4) . . ?
N1 C33 C34 116.8(3) . . ?
C32 C33 C34 121.7(4) . . ?
N2 C34 C35 120.9(4) . . ?
N2 C34 C33 116.2(3) . . ?
C35 C34 C33 122.9(4) . . ?
C34 C35 C36 120.0(4) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C37 C36 C35 118.8(4) . . ?
C37 C36 H36 120.6 . . ?
C35 C36 H36 120.6 . . ?
C38 C37 C36 118.0(4) . . ?
C38 C37 H37 121.0 . . ?
C36 C37 H37 121.0 . . ?
N2 C38 C37 123.8(4) . . ?
N2 C38 H38 118.1 . . ?
C37 C38 H38 118.1 . . ?
N3 C39 C40 123.7(4) . . ?
N3 C39 H39 118.2 . . ?
C40 C39 H39 118.2 . . ?
C41 C40 C39 117.6(4) . . ?
C41 C40 H40 121.2 . . ?
C39 C40 H40 121.2 . . ?
C40 C41 C42 119.2(4) . . ?
C40 C41 H41 120.4 . . ?
C42 C41 H41 120.4 . . ?
C41 C42 C43 119.7(4) . . ?
C41 C42 H42 120.1 . . ?
C43 C42 H42 120.1 . . ?
N3 C43 C42 120.9(4) . . ?
N3 C43 C44 117.1(3) . . ?
C42 C43 C44 122.0(4) . . ?
N4 C44 C45 121.1(4) . . ?
N4 C44 C43 116.5(4) . . ?
C45 C44 C43 122.4(4) . . ?
C46 C45 C44 119.1(4) . . ?
C46 C45 H45 120.4 . . ?
C44 C45 H45 120.4 . . ?
C47 C46 C45 119.6(4) . . ?
C47 C46 H46 120.2 . . ?
C45 C46 H46 120.2 . . ?
C46 C47 C48 118.7(5) . . ?
C46 C47 H47 120.6 . . ?
C48 C47 H47 120.6 . . ?
N4 C48 C47 122.8(4) . . ?
N4 C48 H48 118.6 . . ?
C47 C48 H48 118.6 . . ?
C50 C49 C54 121.6(3) . . ?
C50 C49 N5 119.2(3) . . ?
C54 C49 N5 119.1(3) . . ?
C49 C50 C51 119.5(3) . . ?
C49 C50 H50 120.3 . . ?
C51 C50 H50 120.3 . . ?
C50 C51 C52 119.0(3) . . ?
C50 C51 H51 120.5 . . ?
C52 C51 H51 120.5 . . ?
C53 C52 C51 121.5(3) . . ?
C53 C52 N6 119.4(3) . . ?
C51 C52 N6 118.7(3) . . ?
C52 C53 C54 119.4(3) . . ?
C52 C53 H53 120.3 . . ?
C54 C53 H53 120.3 . . ?
C49 C54 C53 118.7(3) . . ?
C49 C54 H54 120.6 . . ?
C53 C54 H54 120.6 . . ?
C56 C55 C60 121.7(4) . . ?
C56 C55 O9 117.4(3) . . ?
C60 C55 O9 120.8(3) . . ?
C55 C56 C57 118.7(4) . . ?
C55 C56 H56 120.6 . . ?
C57 C56 H56 120.6 . . ?
C58 C57 C56 120.0(4) . . ?
C58 C57 H57 120.0 . . ?
C56 C57 H57 120.0 . . ?
C57 C58 C59 121.1(4) . . ?
C57 C58 H58 119.5 . . ?
C59 C58 H58 119.5 . . ?
C58 C59 C60 119.6(4) . . ?
C58 C59 H59 120.2 . . ?
C60 C59 H59 120.2 . . ?
O10 C60 C55 115.5(3) . . ?
O10 C60 C59 125.6(4) . . ?
C55 C60 C59 118.8(4) . . ?
O10 C61 H61A 109.5 . . ?
O10 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
O10 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C63 C62 O11 119.1(3) . . ?
C63 C62 C67 121.9(4) . . ?
O11 C62 C67 118.9(3) . . ?
C62 C63 C64 119.1(4) . . ?
C62 C63 H63 120.4 . . ?
C64 C63 H63 120.4 . . ?
C65 C64 C63 119.4(4) . . ?
C65 C64 H64 120.3 . . ?
C63 C64 H64 120.3 . . ?
C64 C65 C66 121.8(4) . . ?
C64 C65 H65 119.1 . . ?
C66 C65 H65 119.1 . . ?
C65 C66 C67 119.8(4) . . ?
C65 C66 H66 120.1 . . ?
C67 C66 H66 120.1 . . ?
O12 C67 C66 126.1(4) . . ?
O12 C67 C62 115.8(3) . . ?
C66 C67 C62 118.0(4) . . ?
O12 C68 H68A 109.5 . . ?
O12 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
O12 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 C74 121.5(4) . . ?
C70 C69 O13 119.7(3) . . ?
C74 C69 O13 118.9(4) . . ?
C69 C70 C71 119.7(4) . . ?
C69 C70 H70 120.2 . . ?
C71 C70 H70 120.2 . . ?
C72 C71 C70 119.7(5) . . ?
C72 C71 H71 120.1 . . ?
C70 C71 H71 120.1 . . ?
C73 C72 C71 121.1(4) . . ?
C73 C72 H72 119.5 . . ?
C71 C72 H72 119.5 . . ?
C72 C73 C74 119.9(4) . . ?
C72 C73 H73 120.0 . . ?
C74 C73 H73 120.0 . . ?
O14 C74 C73 125.6(4) . . ?
O14 C74 C69 116.3(4) . . ?
C73 C74 C69 118.1(4) . . ?
O14 C75 H75A 109.5 . . ?
O14 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
O14 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C77 C76 C81 121.5(3) . . ?
C77 C76 O15 119.3(3) . . ?
C81 C76 O15 119.1(3) . . ?
C76 C77 C78 118.9(4) . . ?
C76 C77 H77 120.6 . . ?
C78 C77 H77 120.6 . . ?
C79 C78 C77 119.7(4) . . ?
C79 C78 H78 120.1 . . ?
C77 C78 H78 120.1 . . ?
C78 C79 C80 121.3(4) . . ?
C78 C79 H79 119.3 . . ?
C80 C79 H79 119.3 . . ?
C79 C80 C81 119.4(4) . . ?
C79 C80 H80 120.3 . . ?
C81 C80 H80 120.3 . . ?
O16 C81 C80 126.0(4) . . ?
O16 C81 C76 114.9(3) . . ?
C80 C81 C76 119.1(4) . . ?
O16 C82 H82A 109.5 . . ?
O16 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
O16 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
N8 C83 C84 123.0(4) . . ?
N8 C83 H83 118.5 . . ?
C84 C83 H83 118.5 . . ?
C83 C84 C85 118.0(4) . . ?
C83 C84 H84 121.0 . . ?
C85 C84 H84 121.0 . . ?
C86 C85 C84 118.9(4) . . ?
C86 C85 H85 120.5 . . ?
C84 C85 H85 120.5 . . ?
C85 C86 C87 120.2(4) . . ?
C85 C86 H86 119.9 . . ?
C87 C86 H86 119.9 . . ?
N8 C87 C86 121.0(4) . . ?
N8 C87 C88 116.4(3) . . ?
C86 C87 C88 122.6(4) . . ?
N7 C88 C89 120.8(4) . . ?
N7 C88 C87 116.7(3) . . ?
C89 C88 C87 122.4(4) . . ?
C88 C89 C90 119.1(4) . . ?
C88 C89 H89 120.5 . . ?
C90 C89 H89 120.5 . . ?
C91 C90 C89 119.5(4) . . ?
C91 C90 H90 120.2 . . ?
C89 C90 H90 120.2 . . ?
C90 C91 C92 118.5(4) . . ?
C90 C91 H91 120.8 . . ?
C92 C91 H91 120.8 . . ?
N7 C92 C91 123.0(4) . . ?
N7 C92 H92 118.5 . . ?
C91 C92 H92 118.5 . . ?
N9 C93 C94 123.1(5) . . ?
N9 C93 H93 118.5 . . ?
C94 C93 H93 118.5 . . ?
C95 C94 C93 118.2(4) . . ?
C95 C94 H94 120.9 . . ?
C93 C94 H94 120.9 . . ?
C94 C95 C96 119.9(4) . . ?
C94 C95 H95 120.0 . . ?
C96 C95 H95 120.0 . . ?
C95 C96 C97 118.8(4) . . ?
C95 C96 H96 120.6 . . ?
C97 C96 H96 120.6 . . ?
N9 C97 C96 121.1(4) . . ?
N9 C97 C98 116.7(3) . . ?
C96 C97 C98 122.2(4) . . ?
N10 C98 C99 121.5(4) . . ?
N10 C98 C97 116.4(3) . . ?
C99 C98 C97 122.1(4) . . ?
C100 C99 C98 119.7(4) . . ?
C100 C99 H99 120.2 . . ?
C98 C99 H99 120.2 . . ?
C99 C100 C101 118.5(4) . . ?
C99 C100 H100 120.7 . . ?
C101 C100 H100 120.7 . . ?
C102 C101 C100 118.6(4) . . ?
C102 C101 H101 120.7 . . ?
C100 C101 H101 120.7 . . ?
N10 C102 C101 122.9(4) . . ?
N10 C102 H102 118.5 . . ?
C101 C102 H102 118.5 . . ?
O20 Cl1 O19 109.8(2) . . ?
O20 Cl1 O18 109.17(19) . . ?
O19 Cl1 O18 109.7(2) . . ?
O20 Cl1 O17 109.1(2) . . ?
O19 Cl1 O17 109.6(2) . . ?
O18 Cl1 O17 109.45(19) . . ?
O23 Cl2 O24 110.0(3) . . ?
O23 Cl2 O21 109.0(2) . . ?
O24 Cl2 O21 109.6(2) . . ?
O23 Cl2 O22 110.0(3) . . ?
O24 Cl2 O22 109.1(3) . . ?
O21 Cl2 O22 109.2(2) . . ?
O26 Cl3 O28 110.3(3) . . ?
O26 Cl3 O27 108.5(4) . . ?
O28 Cl3 O27 110.2(3) . . ?
O26 Cl3 O25 109.5(3) . . ?
O28 Cl3 O25 110.3(3) . . ?
O27 Cl3 O25 108.0(3) . . ?
O32 Cl4 O30 108.4(3) . . ?
O32 Cl4 O31 110.9(3) . . ?
O30 Cl4 O31 111.9(4) . . ?
O32 Cl4 O29 106.6(4) . . ?
O30 Cl4 O29 107.5(4) . . ?
O31 Cl4 O29 111.3(3) . . ?
O31 Cl4A O30A 109.8(7) . . ?
O31 Cl4A O29A 103.0(6) . . ?
O30A Cl4A O29A 109.8(7) . . ?
O31 Cl4A O32 109.7(4) . . ?
O30A Cl4A O32 111.4(7) . . ?
O29A Cl4A O32 112.8(7) . . ?
Cl5 C103 Cl6 110.3(6) . . ?
Cl5 C103 H10A 109.6 . . ?
Cl6 C103 H10A 109.6 . . ?
Cl5 C103 H10B 109.6 . . ?
Cl6 C103 H10B 109.6 . . ?
H10A C103 H10B 108.1 . . ?
Cl7 C104 Cl8 108.4(8) . . ?
Cl7 C104 H10C 110.0 . . ?
Cl8 C104 H10C 110.0 . . ?
Cl7 C104 H10D 110.0 . . ?
Cl8 C104 H10D 110.0 . . ?
H10C C104 H10D 108.4 . . ?
C108 O33 C105 108.3(7) . . ?
O33 C105 C106 106.7(8) . . ?
O33 C105 H10E 110.4 . . ?
C106 C105 H10E 110.4 . . ?
O33 C105 H10F 110.4 . . ?
C106 C105 H10F 110.4 . . ?
H10E C105 H10F 108.6 . . ?
C105 C106 C107 105.5(9) . . ?
C105 C106 H10G 110.6 . . ?
C107 C106 H10G 110.6 . . ?
C105 C106 H10H 110.6 . . ?
C107 C106 H10H 110.6 . . ?
H10G C106 H10H 108.8 . . ?
C108 C107 C106 89.2(9) . . ?
C108 C107 H10I 113.8 . . ?
C106 C107 H10I 113.8 . . ?
C108 C107 H10J 113.8 . . ?
C106 C107 H10J 113.8 . . ?
H10I C107 H10J 111.0 . . ?
O33 C108 C107 124.0(10) . . ?
O33 C108 H10K 106.3 . . ?
C107 C108 H10K 106.3 . . ?
O33 C108 H10L 106.3 . . ?
C107 C108 H10L 106.3 . . ?
H10K C108 H10L 106.4 . . ?
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 N2 2.258(3) . ?
Ag1 N1 2.261(3) . ?
Ag1 P1 2.3110(10) . ?
Ag1 Ag2 3.0907(5) . ?
Ag2 N4 2.262(3) . ?
Ag2 N3 2.281(3) . ?
Ag2 P2 2.3223(9) . ?
Ag3 N8 2.241(3) . ?
Ag3 N7 2.267(3) . ?
Ag3 P3 2.3042(9) . ?
Ag3 Ag4 2.9954(4) . ?
Ag4 N10 2.265(3) . ?
Ag4 N9 2.292(3) . ?
Ag4 P4 2.3326(9) . ?
P1 O1 1.610(3) . ?
P1 O3 1.616(3) . ?
P1 N5 1.684(3) . ?
P2 O7 1.609(3) . ?
P2 O5 1.616(3) . ?
P2 N5 1.661(3) . ?
P3 O11 1.603(3) . ?
P3 O9 1.607(3) . ?
P3 N6 1.680(3) . ?
P4 O15 1.612(3) . ?
P4 O13 1.622(3) . ?
P4 N6 1.668(3) . ?
O1 C1 1.402(5) . ?
O2 C6 1.365(5) . ?
O2 C7 1.440(5) . ?
O3 C8 1.399(5) . ?
O4 C13 1.364(6) . ?
O4 C14 1.438(6) . ?
O5 C15 1.406(5) . ?
O6 C20 1.367(5) . ?
O6 C21 1.432(5) . ?
O7 C22 1.396(4) . ?
O8 C27 1.361(5) . ?
O8 C28 1.425(5) . ?
O9 C55 1.401(4) . ?
O10 C60 1.366(5) . ?
O10 C61 1.435(5) . ?
O11 C62 1.404(4) . ?
O12 C67 1.364(5) . ?
O12 C68 1.438(5) . ?
O13 C69 1.408(4) . ?
O14 C74 1.363(5) . ?
O14 C75 1.449(5) . ?
O15 C76 1.396(4) . ?
O16 C81 1.365(5) . ?
O16 C82 1.436(5) . ?
N1 C33 1.340(5) . ?
N1 C29 1.352(6) . ?
N2 C38 1.333(5) . ?
N2 C34 1.354(5) . ?
N3 C39 1.337(6) . ?
N3 C43 1.342(5) . ?
N4 C48 1.342(6) . ?
N4 C44 1.345(5) . ?
N5 C49 1.457(4) . ?
N6 C52 1.454(4) . ?
N7 C92 1.340(5) . ?
N7 C88 1.344(5) . ?
N8 C83 1.340(5) . ?
N8 C87 1.346(5) . ?
N9 C97 1.339(5) . ?
N9 C93 1.341(5) . ?
N10 C98 1.333(5) . ?
N10 C102 1.346(5) . ?
C1 C2 1.382(6) . ?
C1 C6 1.399(6) . ?
C2 C3 1.387(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.374(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.388(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(6) . ?
C5 H5 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.368(6) . ?
C8 C13 1.383(6) . ?
C9 C10 1.394(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.378(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.379(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.398(7) . ?
C12 H12 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.374(6) . ?
C15 C20 1.396(5) . ?
C16 C17 1.393(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.363(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.386(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.379(6) . ?
C19 H19 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.378(6) . ?
C22 C27 1.392(5) . ?
C23 C24 1.391(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.378(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.397(6) . ?
C26 H26 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.381(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.382(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.392(6) . ?
C31 H31 0.9500 . ?
C32 C33 1.391(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.489(6) . ?
C34 C35 1.381(5) . ?
C35 C36 1.389(6) . ?
C35 H35 0.9500 . ?
C36 C37 1.385(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.377(6) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.387(6) . ?
C39 H39 0.9500 . ?
C40 C41 1.379(7) . ?
C40 H40 0.9500 . ?
C41 C42 1.388(7) . ?
C41 H41 0.9500 . ?
C42 C43 1.391(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.478(6) . ?
C44 C45 1.387(6) . ?
C45 C46 1.380(7) . ?
C45 H45 0.9500 . ?
C46 C47 1.365(7) . ?
C46 H46 0.9500 . ?
C47 C48 1.370(7) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C50 1.385(5) . ?
C49 C54 1.387(5) . ?
C50 C51 1.386(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.393(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.380(5) . ?
C53 C54 1.399(5) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.383(5) . ?
C55 C60 1.385(6) . ?
C56 C57 1.389(6) . ?
C56 H56 0.9500 . ?
C57 C58 1.372(7) . ?
C57 H57 0.9500 . ?
C58 C59 1.385(6) . ?
C58 H58 0.9500 . ?
C59 C60 1.386(6) . ?
C59 H59 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 C63 1.369(6) . ?
C62 C67 1.409(6) . ?
C63 C64 1.393(6) . ?
C63 H63 0.9500 . ?
C64 C65 1.371(6) . ?
C64 H64 0.9500 . ?
C65 C66 1.380(7) . ?
C65 H65 0.9500 . ?
C66 C67 1.387(6) . ?
C66 H66 0.9500 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.367(6) . ?
C69 C74 1.407(5) . ?
C70 C71 1.386(6) . ?
C70 H70 0.9500 . ?
C71 C72 1.381(7) . ?
C71 H71 0.9500 . ?
C72 C73 1.380(8) . ?
C72 H72 0.9500 . ?
C73 C74 1.396(6) . ?
C73 H73 0.9500 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 C77 1.379(6) . ?
C76 C81 1.392(5) . ?
C77 C78 1.389(5) . ?
C77 H77 0.9500 . ?
C78 C79 1.378(6) . ?
C78 H78 0.9500 . ?
C79 C80 1.380(6) . ?
C79 H79 0.9500 . ?
C80 C81 1.384(5) . ?
C80 H80 0.9500 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 C84 1.380(6) . ?
C83 H83 0.9500 . ?
C84 C85 1.392(7) . ?
C84 H84 0.9500 . ?
C85 C86 1.373(7) . ?
C85 H85 0.9500 . ?
C86 C87 1.381(6) . ?
C86 H86 0.9500 . ?
C87 C88 1.493(6) . ?
C88 C89 1.387(6) . ?
C89 C90 1.394(7) . ?
C89 H89 0.9500 . ?
C90 C91 1.367(7) . ?
C90 H90 0.9500 . ?
C91 C92 1.372(6) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
C93 C94 1.380(6) . ?
C93 H93 0.9500 . ?
C94 C95 1.359(7) . ?
C94 H94 0.9500 . ?
C95 C96 1.389(7) . ?
C95 H95 0.9500 . ?
C96 C97 1.392(6) . ?
C96 H96 0.9500 . ?
C97 C98 1.488(6) . ?
C98 C99 1.391(6) . ?
C99 C100 1.378(7) . ?
C99 H99 0.9500 . ?
C100 C101 1.394(7) . ?
C100 H100 0.9500 . ?
C101 C102 1.370(6) . ?
C101 H101 0.9500 . ?
C102 H102 0.9500 . ?
Cl1 O20 1.434(3) . ?
Cl1 O19 1.435(3) . ?
Cl1 O18 1.437(3) . ?
Cl1 O17 1.442(3) . ?
Cl2 O23 1.411(4) . ?
Cl2 O24 1.424(4) . ?
Cl2 O21 1.435(4) . ?
Cl2 O22 1.442(4) . ?
Cl3 O26 1.415(5) . ?
Cl3 O28 1.416(4) . ?
Cl3 O27 1.418(5) . ?
Cl3 O25 1.448(4) . ?
Cl4 O32 1.417(3) . ?
Cl4 O30 1.426(4) . ?
Cl4 O31 1.438(3) . ?
Cl4 O29 1.440(4) . ?
Cl4A O31 1.431(4) . ?
Cl4A O30A 1.435(4) . ?
Cl4A O29A 1.436(4) . ?
Cl4A O32 1.445(4) . ?
C103 Cl5 1.655(10) . ?
C103 Cl6 1.743(10) . ?
C103 H10A 0.9900 . ?
C103 H10B 0.9900 . ?
C104 Cl7 1.716(17) . ?
C104 Cl8 1.859(14) . ?
C104 H10C 0.9900 . ?
C104 H10D 0.9900 . ?
O33 C108 1.294(12) . ?
O33 C105 1.389(11) . ?
C105 C106 1.468(13) . ?
C105 H10E 0.9900 . ?
C105 H10F 0.9900 . ?
C106 C107 1.749(18) . ?
C106 H10G 0.9900 . ?
C106 H10H 0.9900 . ?
C107 C108 1.402(16) . ?
C107 H10I 0.9900 . ?
C107 H10J 0.9900 . ?
C108 H10K 0.9900 . ?
C108 H10L 0.9900 . ?
