#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:55:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179218 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/44/4314471.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_4314471
loop_
_publ_author_name
'Daniel L. Reger'
'Elizabeth A. Foley'
'Mark D. Smith'
_publ_contact_author_address
;
Department of Chemistry and Biochemistry
University of South Carolina
Columbia, South Carolina 29208
USA
;
_publ_contact_author_email       reger@mail.chem.sc.edu
_publ_contact_author_fax         '1 803 777 9521'
_publ_contact_author_name        'Professor Daniel L. Reger'
_publ_contact_author_phone       '1 803 777 2587'
_publ_section_title
;
 Structural Impact of Multitopic Third-Generation Bis(1-pyrazolyl)methane
 Ligands: Double, Mononuclear Metallacyclic Silver(I) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              234
_journal_page_last               242
_journal_paper_doi               10.1021/ic901899r
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C64 H76 Ag3 N24 O7, 5(C2 H3 N), 3(B F4)'
_chemical_formula_sum            'C74 H91 Ag3 B3 F12 N29 O7'
_chemical_formula_weight         2082.80
_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
_cell_angle_alpha                100.2490(10)
_cell_angle_beta                 97.5380(10)
_cell_angle_gamma                115.0240(10)
_cell_formula_units_Z            2
_cell_length_a                   13.7323(6)
_cell_length_b                   15.3482(6)
_cell_length_c                   24.6125(10)
_cell_measurement_reflns_used    8440
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      23.320
_cell_measurement_theta_min      2.402
_cell_volume                     4499.8(3)
_computing_cell_refinement       'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_data_collection       'SMART Version 5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus Version 6.45'
_computing_molecular_graphics    various
_computing_publication_material  'SHELXTL Version 6.14 (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '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  0.0760
_diffrn_reflns_av_sigmaI/netI    0.0940
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            45947
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    0.739
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2116
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.140
_refine_diff_density_min         -0.680
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.907
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1130
_refine_ls_number_reflns         15990
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      0.907
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0491
_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)+(0.0438P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1035
_refine_ls_wR_factor_ref         0.1134
_reflns_number_gt                10388
_reflns_number_total             15990
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901899r_si_001_6.cif
_cod_data_source_block           3a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4314471
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 0.49361(4) 0.26241(3) 0.712181(17) 0.04520(13) Uani 1 1 d . . .
Ag2 Ag -0.16011(3) 0.24866(3) 0.681730(18) 0.04107(12) Uani 1 1 d . . .
Ag3 Ag -0.26118(3) -0.16146(3) 0.851044(16) 0.03445(11) Uani 1 1 d . . .
C1 C 0.2466(3) 0.3039(3) 0.79415(17) 0.0206(10) Uani 1 1 d . . .
C2 C 0.2697(3) 0.3789(3) 0.76572(18) 0.0211(10) Uani 1 1 d . . .
C3 C 0.2264(3) 0.3536(3) 0.70692(18) 0.0208(10) Uani 1 1 d . . .
C4 C 0.1649(3) 0.2527(3) 0.67655(18) 0.0211(10) Uani 1 1 d . . .
C5 C 0.1419(3) 0.1780(3) 0.70589(19) 0.0239(10) Uani 1 1 d . . .
C6 C 0.1813(3) 0.2036(3) 0.76452(19) 0.0226(10) Uani 1 1 d . . .
C11 C 0.7014(4) 0.2884(4) 0.8732(2) 0.0373(12) Uani 1 1 d . . .
H11 H 0.7055 0.2700 0.9080 0.045 Uiso 1 1 calc R . .
C12 C 0.7870(4) 0.3314(4) 0.8488(2) 0.0424(13) Uani 1 1 d . . .
H12 H 0.8623 0.3482 0.8626 0.051 Uiso 1 1 calc R . .
C13 C 0.7417(4) 0.3456(4) 0.7997(2) 0.0378(13) Uani 1 1 d . . .
H13 H 0.7828 0.3754 0.7741 0.045 Uiso 1 1 calc R . .
C14 C 0.3768(4) 0.0536(4) 0.8160(2) 0.0344(12) Uani 1 1 d . . .
H14 H 0.3855 0.0371 0.8511 0.041 Uiso 1 1 calc R . .
C15 C 0.3157(4) -0.0108(4) 0.7650(2) 0.0379(13) Uani 1 1 d . . .
H15 H 0.2735 -0.0810 0.7571 0.046 Uiso 1 1 calc R . .
C16 C 0.3273(4) 0.0464(4) 0.7272(2) 0.0342(12) Uani 1 1 d . . .
H16 H 0.2928 0.0205 0.6879 0.041 Uiso 1 1 calc R . .
C17 C 0.4991(3) 0.2399(3) 0.84840(19) 0.0253(10) Uani 1 1 d . . .
H17 H 0.5033 0.2264 0.8867 0.030 Uiso 1 1 calc R . .
C18 C 0.4598(3) 0.3190(3) 0.85053(18) 0.0250(10) Uani 1 1 d . . .
H18A H 0.5172 0.3835 0.8758 0.030 Uiso 1 1 calc R . .
H18B H 0.4435 0.3281 0.8121 0.030 Uiso 1 1 calc R . .
C19 C 0.2914(3) 0.3288(3) 0.85801(18) 0.0266(10) Uani 1 1 d . . .
H19A H 0.3327 0.4020 0.8732 0.032 Uiso 1 1 calc R . .
H19B H 0.2288 0.3040 0.8766 0.032 Uiso 1 1 calc R . .
C21 C 0.6486(4) 0.7318(4) 1.0023(2) 0.0351(12) Uani 1 1 d . . .
H21 H 0.6366 0.6820 1.0223 0.042 Uiso 1 1 calc R . .
C22 C 0.6778(4) 0.8291(4) 1.0253(2) 0.0407(13) Uani 1 1 d . . .
H22 H 0.6910 0.8614 1.0642 0.049 Uiso 1 1 calc R . .
C23 C 0.6840(4) 0.8710(4) 0.9795(2) 0.0417(13) Uani 1 1 d . . .
H23 H 0.7035 0.9392 0.9826 0.050 Uiso 1 1 calc R . .
C24 C 0.7485(4) 0.5776(4) 0.8855(2) 0.0416(13) Uani 1 1 d . . .
H24 H 0.7476 0.5416 0.9132 0.050 Uiso 1 1 calc R . .
C25 C 0.8166(4) 0.5971(4) 0.8487(2) 0.0448(14) Uani 1 1 d . . .
H25 H 0.8721 0.5764 0.8452 0.054 Uiso 1 1 calc R . .
C26 C 0.7888(4) 0.6530(3) 0.8176(2) 0.0376(12) Uani 1 1 d . . .
H26 H 0.8243 0.6781 0.7892 0.045 Uiso 1 1 calc R . .
C27 C 0.5983(3) 0.6241(3) 0.90343(18) 0.0276(11) Uani 1 1 d . . .
H27 H 0.5774 0.5699 0.9235 0.033 Uiso 1 1 calc R . .
C28 C 0.4951(3) 0.6072(3) 0.86341(19) 0.0302(11) Uani 1 1 d . . .
H28A H 0.4436 0.6172 0.8854 0.036 Uiso 1 1 calc R . .
H28B H 0.5144 0.6557 0.8401 0.036 Uiso 1 1 calc R . .
C29 C 0.3354(3) 0.4875(3) 0.79850(19) 0.0289(11) Uani 1 1 d . . .
H29A H 0.3419 0.5301 0.7719 0.035 Uiso 1 1 calc R . .
H29B H 0.2956 0.5034 0.8264 0.035 Uiso 1 1 calc R . .
C31 C 0.0910(3) 0.4815(4) 0.82632(19) 0.0300(11) Uani 1 1 d . . .
H31 H 0.1316 0.5506 0.8447 0.036 Uiso 1 1 calc R . .
C32 C 0.0760(4) 0.4053(4) 0.8508(2) 0.0331(12) Uani 1 1 d . . .
H32 H 0.1032 0.4100 0.8892 0.040 Uiso 1 1 calc R . .
C33 C 0.0125(4) 0.3194(4) 0.8073(2) 0.0346(12) Uani 1 1 d . . .
H33 H -0.0115 0.2539 0.8120 0.042 Uiso 1 1 calc R . .
C34 C -0.0947(4) 0.5594(4) 0.7039(2) 0.0388(13) Uani 1 1 d . . .
H34 H -0.0473 0.6278 0.7218 0.047 Uiso 1 1 calc R . .
C35 C -0.2001(4) 0.5201(4) 0.6720(2) 0.0419(13) Uani 1 1 d . . .
H35 H -0.2405 0.5551 0.6634 0.050 Uiso 1 1 calc R . .
C36 C -0.2353(4) 0.4192(4) 0.6552(2) 0.0328(12) Uani 1 1 d . . .
H36 H -0.3068 0.3721 0.6330 0.039 Uiso 1 1 calc R . .
C37 C 0.0379(3) 0.4917(3) 0.72658(18) 0.0245(10) Uani 1 1 d . . .
H37 H 0.0897 0.5639 0.7436 0.029 Uiso 1 1 calc R . .
C38 C 0.0814(3) 0.4551(3) 0.67860(18) 0.0264(10) Uani 1 1 d . . .
H38A H 0.0484 0.3815 0.6683 0.032 Uiso 1 1 calc R . .
H38B H 0.0635 0.4766 0.6446 0.032 Uiso 1 1 calc R . .
C39 C 0.2450(3) 0.4356(3) 0.67693(19) 0.0255(10) Uani 1 1 d . . .
H39A H 0.3254 0.4769 0.6817 0.031 Uiso 1 1 calc R . .
H39B H 0.2115 0.4055 0.6358 0.031 Uiso 1 1 calc R . .
C41 C 0.5148(4) 0.2194(4) 0.5327(2) 0.0335(12) Uani 1 1 d . . .
H41 H 0.5153 0.2460 0.5006 0.040 Uiso 1 1 calc R . .
C42 C 0.5606(4) 0.1593(4) 0.5437(2) 0.0423(14) Uani 1 1 d . . .
H42 H 0.5988 0.1350 0.5207 0.051 Uiso 1 1 calc R . .
C43 C 0.5403(4) 0.1407(4) 0.5951(2) 0.0397(13) Uani 1 1 d . . .
H43 H 0.5645 0.1016 0.6136 0.048 Uiso 1 1 calc R . .
C44 C 0.4966(4) 0.4717(4) 0.6149(2) 0.0349(12) Uani 1 1 d . . .
H44 H 0.4907 0.4866 0.5791 0.042 Uiso 1 1 calc R . .
C45 C 0.5434(4) 0.5390(4) 0.6665(2) 0.0395(13) Uani 1 1 d . . .
H45 H 0.5763 0.6096 0.6741 0.047 Uiso 1 1 calc R . .
C46 C 0.5325(4) 0.4823(4) 0.7057(2) 0.0361(12) Uani 1 1 d . . .
H46 H 0.5579 0.5091 0.7457 0.043 Uiso 1 1 calc R . .
C47 C 0.4014(3) 0.2853(3) 0.58171(18) 0.0248(10) Uani 1 1 d . . .
H47 H 0.3846 0.2990 0.5443 0.030 Uiso 1 1 calc R . .
C48 C 0.2919(3) 0.2194(3) 0.59383(19) 0.0286(11) Uani 1 1 d . . .
H48A H 0.2566 0.1529 0.5665 0.034 Uiso 1 1 calc R . .
H48B H 0.3036 0.2109 0.6327 0.034 Uiso 1 1 calc R . .
C49 C 0.1309(3) 0.2273(3) 0.61270(18) 0.0278(11) Uani 1 1 d . . .
H49A H 0.0914 0.1541 0.5974 0.033 Uiso 1 1 calc R . .
H49B H 0.0796 0.2544 0.6017 0.033 Uiso 1 1 calc R . .
C51 C -0.2477(4) 0.0083(4) 0.5323(2) 0.0393(13) Uani 1 1 d . . .
H51 H -0.2838 -0.0617 0.5162 0.047 Uiso 1 1 calc R . .
C52 C -0.2235(4) 0.0789(4) 0.5034(2) 0.0459(14) Uani 1 1 d . . .
H52 H -0.2391 0.0692 0.4634 0.055 Uiso 1 1 calc R . .
C53 C -0.1712(4) 0.1682(4) 0.5446(2) 0.0417(13) Uani 1 1 d . . .
H53 H -0.1441 0.2317 0.5368 0.050 Uiso 1 1 calc R . .
C54 C -0.3983(4) -0.0579(3) 0.6617(2) 0.0348(12) Uani 1 1 d . . .
H54 H -0.4293 -0.1249 0.6398 0.042 Uiso 1 1 calc R . .
C55 C -0.4472(4) -0.0179(4) 0.6962(2) 0.0414(13) Uani 1 1 d . . .
H55 H -0.5189 -0.0507 0.7030 0.050 Uiso 1 1 calc R . .
C56 C -0.3704(4) 0.0803(4) 0.7192(2) 0.0371(12) Uani 1 1 d . . .
H56 H -0.3818 0.1266 0.7454 0.045 Uiso 1 1 calc R . .
C57 C -0.2157(3) 0.0091(3) 0.63486(19) 0.0276(11) Uani 1 1 d . . .
H57 H -0.2393 -0.0631 0.6186 0.033 Uiso 1 1 calc R . .
C58 C -0.1033(3) 0.0522(3) 0.67496(19) 0.0265(10) Uani 1 1 d . . .
H58A H -0.0779 0.1231 0.6941 0.032 Uiso 1 1 calc R . .
H58B H -0.1063 0.0151 0.7042 0.032 Uiso 1 1 calc R . .
C59 C 0.0764(3) 0.0690(3) 0.6726(2) 0.0304(11) Uani 1 1 d . . .
H59A H 0.1189 0.0539 0.6461 0.036 Uiso 1 1 calc R . .
H59B H 0.0692 0.0269 0.6994 0.036 Uiso 1 1 calc R . .
C61 C -0.0273(4) -0.1540(3) 0.7454(2) 0.0403(13) Uani 1 1 d . . .
H61 H 0.0416 -0.1531 0.7428 0.048 Uiso 1 1 calc R . .
C62 C -0.1216(5) -0.1993(4) 0.7035(2) 0.0468(14) Uani 1 1 d . . .
H62 H -0.1325 -0.2365 0.6660 0.056 Uiso 1 1 calc R . .
C63 C -0.1983(4) -0.1792(4) 0.7276(2) 0.0438(14) Uani 1 1 d . . .
H63 H -0.2727 -0.2023 0.7083 0.053 Uiso 1 1 calc R . .
C64 C 0.0772(4) -0.1091(4) 0.9242(2) 0.0437(13) Uani 1 1 d . . .
H64 H 0.1435 -0.1092 0.9171 0.052 Uiso 1 1 calc R . .
C65 C 0.0304(5) -0.1349(4) 0.9678(2) 0.0513(15) Uani 1 1 d . . .
H65 H 0.0577 -0.1565 0.9974 0.062 Uiso 1 1 calc R . .
C66 C -0.0647(4) -0.1235(4) 0.9607(2) 0.0435(13) Uani 1 1 d . . .
H66 H -0.1141 -0.1369 0.9853 0.052 Uiso 1 1 calc R . .
C67 C 0.0286(4) -0.0435(3) 0.84371(19) 0.0296(11) Uani 1 1 d . . .
H67 H 0.1037 -0.0328 0.8390 0.036 Uiso 1 1 calc R . .
C68 C 0.0291(4) 0.0581(3) 0.85426(19) 0.0306(11) Uani 1 1 d . . .
H68A H -0.0422 0.0507 0.8625 0.037 Uiso 1 1 calc R . .
H68B H 0.0884 0.1044 0.8880 0.037 Uiso 1 1 calc R . .
C69 C 0.1540(3) 0.1254(3) 0.7970(2) 0.0287(11) Uani 1 1 d . . .
H69A H 0.1557 0.0657 0.7749 0.034 Uiso 1 1 calc R . .
H69B H 0.2092 0.1512 0.8336 0.034 Uiso 1 1 calc R . .
C71 C -0.5179(5) -0.2614(4) 0.7450(2) 0.0572(16) Uani 1 1 d . . .
H71A H -0.4917 -0.2331 0.7139 0.086 Uiso 1 1 calc R . .
H71B H -0.5955 -0.3116 0.7314 0.086 Uiso 1 1 calc R . .
H71C H -0.4733 -0.2925 0.7583 0.086 Uiso 1 1 calc R . .
C72 C -0.5078(4) -0.1812(4) 0.7924(3) 0.0550(16) Uani 1 1 d . . .
H72A H -0.5550 -0.1512 0.7797 0.066 Uiso 1 1 calc R . .
H72B H -0.5325 -0.2090 0.8243 0.066 Uiso 1 1 calc R . .
C73 C -0.3802(5) -0.0182(4) 0.8495(3) 0.0583(16) Uani 1 1 d . . .
H73A H -0.4086 -0.0351 0.8832 0.070 Uiso 1 1 calc R . .
H73B H -0.4222 0.0116 0.8310 0.070 Uiso 1 1 calc R . .
C74 C -0.2596(5) 0.0548(4) 0.8675(3) 0.0696(19) Uani 1 1 d . . .
H74A H -0.2190 0.0263 0.8878 0.104 Uiso 1 1 calc R . .
H74B H -0.2498 0.1165 0.8927 0.104 Uiso 1 1 calc R . .
H74C H -0.2312 0.0692 0.8340 0.104 Uiso 1 1 calc R . .
N11 N 0.6329(3) 0.3122(3) 0.79272(16) 0.0318(9) Uani 1 1 d . . .
N12 N 0.6098(3) 0.2767(3) 0.83872(15) 0.0269(9) Uani 1 1 d . . .
N13 N 0.3925(3) 0.1422(3) 0.75197(16) 0.0306(9) Uani 1 1 d . . .
N14 N 0.4230(3) 0.1461(3) 0.80752(16) 0.0260(9) Uani 1 1 d . . .
N21 N 0.6592(3) 0.8035(3) 0.93043(16) 0.0350(10) Uani 1 1 d . . .
N22 N 0.6399(3) 0.7189(3) 0.94607(16) 0.0294(9) Uani 1 1 d . . .
N23 N 0.7054(3) 0.6675(3) 0.83250(16) 0.0305(9) Uani 1 1 d . . .
N24 N 0.6820(3) 0.6206(3) 0.87416(15) 0.0288(9) Uani 1 1 d . . .
N31 N -0.0109(3) 0.3395(3) 0.75844(16) 0.0286(9) Uani 1 1 d . . .
N32 N 0.0374(3) 0.4409(3) 0.77125(15) 0.0241(8) Uani 1 1 d . . .
N33 N -0.1560(3) 0.3961(3) 0.67404(16) 0.0300(9) Uani 1 1 d . . .
N34 N -0.0708(3) 0.4840(3) 0.70507(15) 0.0247(8) Uani 1 1 d . . .
N41 N 0.4823(3) 0.1847(3) 0.61523(16) 0.0343(10) Uani 1 1 d . . .
N42 N 0.4687(3) 0.2333(3) 0.57621(15) 0.0262(9) Uani 1 1 d . . .
N43 N 0.4820(3) 0.3855(3) 0.67979(15) 0.0269(9) Uani 1 1 d . . .
N44 N 0.4601(3) 0.3803(3) 0.62375(15) 0.0237(8) Uani 1 1 d . . .
N51 N -0.1634(3) 0.1544(3) 0.59649(17) 0.0331(10) Uani 1 1 d . . .
N52 N -0.2118(3) 0.0544(3) 0.58753(16) 0.0283(9) Uani 1 1 d . . .
N53 N -0.2782(3) 0.1027(3) 0.70045(16) 0.0320(9) Uani 1 1 d . . .
N54 N -0.2982(3) 0.0155(3) 0.66479(15) 0.0283(9) Uani 1 1 d . . .
N61 N -0.1552(3) -0.1237(3) 0.78110(17) 0.0339(10) Uani 1 1 d . . .
N62 N -0.0502(3) -0.1108(3) 0.79114(16) 0.0303(9) Uani 1 1 d . . .
N63 N -0.0778(3) -0.0912(3) 0.91496(17) 0.0373(10) Uani 1 1 d . . .
N64 N 0.0099(3) -0.0834(3) 0.89292(16) 0.0337(10) Uani 1 1 d . . .
O1 O 0.3632(2) 0.2854(2) 0.87169(12) 0.0272(7) Uani 1 1 d . . .
O2 O 0.4436(2) 0.5090(2) 0.82768(12) 0.0246(7) Uani 1 1 d . . .
O3 O 0.1973(2) 0.4980(2) 0.69918(12) 0.0256(7) Uani 1 1 d . . .
O4 O 0.2247(2) 0.2674(2) 0.58826(12) 0.0278(7) Uani 1 1 d . . .
O5 O -0.0319(2) 0.0425(2) 0.64074(13) 0.0305(7) Uani 1 1 d . . .
O6 O 0.0457(2) 0.0994(2) 0.80733(13) 0.0289(7) Uani 1 1 d . . .
O7 O -0.3945(3) -0.1068(3) 0.81054(15) 0.0472(9) Uani 1 1 d . . .
B1 B 0.8212(5) 0.2452(4) 0.1839(3) 0.0439(16) Uani 1 1 d D . .
F11 F 0.7510(3) 0.2875(3) 0.17835(17) 0.0809(11) Uani 1 1 d D . .
F12 F 0.7689(3) 0.1473(2) 0.15280(14) 0.0658(9) Uani 1 1 d D . .
F13 F 0.9140(3) 0.3002(2) 0.16728(17) 0.0820(12) Uani 1 1 d D . .
F14 F 0.8489(3) 0.2505(2) 0.24119(15) 0.0732(10) Uani 1 1 d D . .
B2 B 0.3626(5) 0.2998(4) 0.4293(2) 0.0394(15) Uani 1 1 d . . .
F21 F 0.3066(2) 0.2160(2) 0.45016(12) 0.0534(8) Uani 1 1 d . . .
F22 F 0.4484(2) 0.3713(2) 0.47197(12) 0.0496(8) Uani 1 1 d . . .
F23 F 0.4003(3) 0.2693(2) 0.38429(13) 0.0662(10) Uani 1 1 d . . .
F24 F 0.2899(3) 0.3355(2) 0.41236(13) 0.0622(9) Uani 1 1 d . . .
B3A B 0.6791(6) 0.4429(6) 0.0080(3) 0.0443(18) Uani 0.822(9) 1 d PD A 1
F31A F 0.6949(5) 0.4420(5) 0.06370(19) 0.0636(17) Uani 0.822(9) 1 d PD A 1
F32A F 0.6087(4) 0.3491(4) -0.02474(18) 0.0682(16) Uani 0.822(9) 1 d PD A 1
F33A F 0.6347(6) 0.5056(5) -0.0004(3) 0.122(3) Uani 0.822(9) 1 d PD A 1
F34A F 0.7781(4) 0.4752(4) -0.0079(2) 0.086(2) Uani 0.822(9) 1 d PD A 1
B3B B 0.6766(16) 0.4615(15) 0.0150(10) 0.0443(18) Uani 0.178(9) 1 d PD A 2
F31B F 0.705(3) 0.416(2) 0.0525(13) 0.109(18) Uiso 0.178(9) 1 d PD A 2
F32B F 0.640(2) 0.401(2) -0.0388(10) 0.102(11) Uiso 0.178(9) 1 d PD A 2
F33B F 0.5935(15) 0.4812(16) 0.0279(10) 0.070(8) Uiso 0.178(9) 1 d PD A 2
F34B F 0.7644(15) 0.5496(15) 0.0155(9) 0.078(8) Uiso 0.178(9) 1 d PD A 2
N81 N 0.5310(5) 0.0926(5) 0.9453(2) 0.089(2) Uani 1 1 d D . .
C81 C 0.5698(5) 0.1342(5) 0.9912(3) 0.0601(17) Uani 1 1 d D . .
C82 C 0.6141(6) 0.1864(5) 1.0496(3) 0.086(2) Uani 1 1 d D . .
H82A H 0.5539 0.1837 1.0678 0.129 Uiso 1 1 calc R . .
H82B H 0.6653 0.2560 1.0530 0.129 Uiso 1 1 calc R . .
H82C H 0.6536 0.1555 1.0683 0.129 Uiso 1 1 calc R . .
N82 N 0.0499(7) 0.7071(6) 0.0491(4) 0.137(3) Uiso 1 1 d . . .
C83 C 0.0490(7) 0.6560(7) 0.0069(4) 0.102(3) Uiso 1 1 d . . .
C84 C 0.0317(7) 0.5924(6) -0.0438(4) 0.114(3) Uiso 1 1 d . . .
H84A H -0.0449 0.5397 -0.0544 0.171 Uiso 1 1 calc R . .
H84B H 0.0821 0.5626 -0.0404 0.171 Uiso 1 1 calc R . .
H84C H 0.0453 0.6291 -0.0730 0.171 Uiso 1 1 calc R . .
N83 N 0.0769(8) 0.4126(7) 0.5307(4) 0.149(3) Uiso 1 1 d . . .
C85 C 0.1579(10) 0.4563(8) 0.5195(4) 0.130(3) Uiso 1 1 d . . .
C86 C 0.2669(10) 0.5120(8) 0.5024(5) 0.172(5) Uiso 1 1 d . . .
H86A H 0.2972 0.4660 0.4910 0.258 Uiso 1 1 calc R . .
H86B H 0.3197 0.5668 0.5347 0.258 Uiso 1 1 calc R . .
H86C H 0.2532 0.5389 0.4706 0.258 Uiso 1 1 calc R . .
N84 N 0.6637(8) 0.2299(7) 0.4271(4) 0.158(3) Uiso 1 1 d . . .
C87 C 0.7200(9) 0.2632(7) 0.3982(4) 0.121(3) Uiso 1 1 d . . .
C88 C 0.7915(8) 0.3038(7) 0.3616(4) 0.126(3) Uiso 1 1 d . . .
H88A H 0.7907 0.3655 0.3569 0.189 Uiso 1 1 calc R . .
H88B H 0.7655 0.2555 0.3245 0.189 Uiso 1 1 calc R . .
H88C H 0.8670 0.3178 0.3786 0.189 Uiso 1 1 calc R . .
N85 N 0.8954(5) 0.1496(5) 0.3764(3) 0.0631(18) Uiso 0.75 1 d PD B 3
C89 C 0.9642(6) 0.1596(5) 0.4109(3) 0.0463(18) Uiso 0.75 1 d PD B 3
C90 C 1.0509(13) 0.1675(10) 0.4534(7) 0.082(2) Uiso 0.75 1 d PD B 3
H90A H 1.0361 0.1010 0.4575 0.123 Uiso 0.75 1 calc PR B 3
H90B H 1.0550 0.2091 0.4896 0.123 Uiso 0.75 1 calc PR B 3
H90C H 1.1212 0.1978 0.4422 0.123 Uiso 0.75 1 calc PR B 3
N86 N 1.055(3) 0.184(2) 0.4563(18) 0.082(2) Uiso 0.25 1 d PD C 4
C91 C 1.030(3) 0.112(2) 0.4698(14) 0.096(10) Uiso 0.25 1 d PD C 4
C92 C 1.009(2) 0.0269(18) 0.4905(12) 0.074(8) Uiso 0.25 1 d PD . 4
H92A H 0.9313 -0.0095 0.4891 0.111 Uiso 0.25 1 d PR . 4
H92B H 1.0318 -0.0154 0.4680 0.111 Uiso 0.25 1 d PR . 4
H92C H 1.0500 0.0485 0.5291 0.111 Uiso 0.25 1 d PR . 4
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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
N43 Ag1 N13 138.30(13) . . ?
N43 Ag1 N11 115.51(13) . . ?
N13 Ag1 N11 85.10(13) . . ?
N43 Ag1 N41 86.98(13) . . ?
N13 Ag1 N41 108.43(14) . . ?
N11 Ag1 N41 128.92(13) . . ?
N33 Ag2 N51 112.20(14) . . ?
N33 Ag2 N31 87.37(13) . . ?
N51 Ag2 N31 126.94(13) . . ?
N33 Ag2 N53 138.40(13) . . ?
N51 Ag2 N53 88.38(13) . . ?
N31 Ag2 N53 109.25(13) . . ?
N61 Ag3 N21 170.77(13) . 1_445 ?
N61 Ag3 N23 94.47(13) . 1_445 ?
N21 Ag3 N23 83.80(13) 1_445 1_445 ?
N61 Ag3 N63 82.79(13) . . ?
N21 Ag3 N63 88.37(13) 1_445 . ?
N23 Ag3 N63 96.12(13) 1_445 . ?
N61 Ag3 O7 93.79(12) . . ?
N21 Ag3 O7 94.68(13) 1_445 . ?
N23 Ag3 O7 123.97(12) 1_445 . ?
N63 Ag3 O7 139.90(13) . . ?
C2 C1 C6 120.6(4) . . ?
C2 C1 C19 121.0(4) . . ?
C6 C1 C19 118.4(4) . . ?
C1 C2 C3 119.7(4) . . ?
C1 C2 C29 120.3(4) . . ?
C3 C2 C29 119.9(4) . . ?
C2 C3 C4 119.9(4) . . ?
C2 C3 C39 119.5(4) . . ?
C4 C3 C39 120.6(4) . . ?
C5 C4 C3 119.7(4) . . ?
C5 C4 C49 121.5(4) . . ?
C3 C4 C49 118.7(4) . . ?
C6 C5 C4 120.2(4) . . ?
C6 C5 C59 120.5(4) . . ?
C4 C5 C59 119.2(4) . . ?
C5 C6 C1 119.9(4) . . ?
C5 C6 C69 121.1(4) . . ?
C1 C6 C69 119.0(4) . . ?
N12 C11 C12 106.9(5) . . ?
N12 C11 H11 126.5 . . ?
C12 C11 H11 126.5 . . ?
C11 C12 C13 105.7(4) . . ?
C11 C12 H12 127.1 . . ?
C13 C12 H12 127.1 . . ?
N11 C13 C12 111.4(4) . . ?
N11 C13 H13 124.3 . . ?
C12 C13 H13 124.3 . . ?
C15 C14 N14 107.2(4) . . ?
C15 C14 H14 126.4 . . ?
N14 C14 H14 126.4 . . ?
C14 C15 C16 105.6(4) . . ?
C14 C15 H15 127.2 . . ?
C16 C15 H15 127.2 . . ?
N13 C16 C15 112.0(5) . . ?
N13 C16 H16 124.0 . . ?
C15 C16 H16 124.0 . . ?
N12 C17 N14 111.7(3) . . ?
N12 C17 C18 110.7(3) . . ?
N14 C17 C18 112.9(3) . . ?
N12 C17 H17 107.0 . . ?
N14 C17 H17 107.0 . . ?
C18 C17 H17 107.0 . . ?
O1 C18 C17 106.7(3) . . ?
O1 C18 H18A 110.4 . . ?
C17 C18 H18A 110.4 . . ?
O1 C18 H18B 110.4 . . ?
C17 C18 H18B 110.4 . . ?
H18A C18 H18B 108.6 . . ?
O1 C19 C1 112.1(3) . . ?
O1 C19 H19A 109.2 . . ?
C1 C19 H19A 109.2 . . ?
O1 C19 H19B 109.2 . . ?
C1 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
N22 C21 C22 107.6(5) . . ?
N22 C21 H21 126.2 . . ?
C22 C21 H21 126.2 . . ?
C21 C22 C23 104.7(4) . . ?
C21 C22 H22 127.6 . . ?
C23 C22 H22 127.6 . . ?
N21 C23 C22 111.8(5) . . ?
N21 C23 H23 124.1 . . ?
C22 C23 H23 124.1 . . ?
N24 C24 C25 105.7(4) . . ?
N24 C24 H24 127.1 . . ?
C25 C24 H24 127.1 . . ?
C24 C25 C26 106.2(5) . . ?
C24 C25 H25 126.9 . . ?
C26 C25 H25 126.9 . . ?
N23 C26 C25 111.6(5) . . ?
N23 C26 H26 124.2 . . ?
C25 C26 H26 124.2 . . ?
N24 C27 N22 111.6(3) . . ?
N24 C27 C28 112.6(4) . . ?
N22 C27 C28 108.9(4) . . ?
N24 C27 H27 107.9 . . ?
N22 C27 H27 107.9 . . ?
C28 C27 H27 107.9 . . ?
O2 C28 C27 109.7(3) . . ?
O2 C28 H28A 109.7 . . ?
C27 C28 H28A 109.7 . . ?
O2 C28 H28B 109.7 . . ?
C27 C28 H28B 109.7 . . ?
H28A C28 H28B 108.2 . . ?
O2 C29 C2 111.4(3) . . ?
O2 C29 H29A 109.4 . . ?
C2 C29 H29A 109.4 . . ?
O2 C29 H29B 109.4 . . ?
C2 C29 H29B 109.4 . . ?
H29A C29 H29B 108.0 . . ?
N32 C31 C32 107.3(4) . . ?
N32 C31 H31 126.3 . . ?
C32 C31 H31 126.3 . . ?
C31 C32 C33 105.1(4) . . ?
C31 C32 H32 127.5 . . ?
C33 C32 H32 127.5 . . ?
N31 C33 C32 111.9(4) . . ?
N31 C33 H33 124.0 . . ?
C32 C33 H33 124.0 . . ?
N34 C34 C35 107.4(4) . . ?
N34 C34 H34 126.3 . . ?
C35 C34 H34 126.3 . . ?
C34 C35 C36 105.4(4) . . ?
C34 C35 H35 127.3 . . ?
C36 C35 H35 127.3 . . ?
N33 C36 C35 111.1(4) . . ?
N33 C36 H36 124.4 . . ?
C35 C36 H36 124.4 . . ?
N32 C37 N34 112.3(3) . . ?
N32 C37 C38 111.5(3) . . ?
N34 C37 C38 110.9(3) . . ?
N32 C37 H37 107.3 . . ?
N34 C37 H37 107.3 . . ?
C38 C37 H37 107.3 . . ?
O3 C38 C37 106.0(3) . . ?
O3 C38 H38A 110.5 . . ?
C37 C38 H38A 110.5 . . ?
O3 C38 H38B 110.5 . . ?
C37 C38 H38B 110.5 . . ?
H38A C38 H38B 108.7 . . ?
O3 C39 C3 111.4(3) . . ?
O3 C39 H39A 109.3 . . ?
C3 C39 H39A 109.3 . . ?
O3 C39 H39B 109.3 . . ?
C3 C39 H39B 109.3 . . ?
H39A C39 H39B 108.0 . . ?
N42 C41 C42 106.1(4) . . ?
N42 C41 H41 126.9 . . ?
C42 C41 H41 126.9 . . ?
C41 C42 C43 106.2(4) . . ?
C41 C42 H42 126.9 . . ?
C43 C42 H42 126.9 . . ?
N41 C43 C42 111.1(4) . . ?
N41 C43 H43 124.5 . . ?
C42 C43 H43 124.5 . . ?
N44 C44 C45 107.5(4) . . ?
N44 C44 H44 126.2 . . ?
C45 C44 H44 126.2 . . ?
C44 C45 C46 105.1(4) . . ?
C44 C45 H45 127.4 . . ?
C46 C45 H45 127.4 . . ?
N43 C46 C45 111.0(4) . . ?
N43 C46 H46 124.5 . . ?
C45 C46 H46 124.5 . . ?
N44 C47 N42 111.8(3) . . ?
N44 C47 C48 112.0(3) . . ?
N42 C47 C48 110.6(3) . . ?
N44 C47 H47 107.4 . . ?
N42 C47 H47 107.4 . . ?
C48 C47 H47 107.4 . . ?
O4 C48 C47 106.8(3) . . ?
O4 C48 H48A 110.4 . . ?
C47 C48 H48A 110.4 . . ?
O4 C48 H48B 110.4 . . ?
C47 C48 H48B 110.4 . . ?
H48A C48 H48B 108.6 . . ?
O4 C49 C4 111.6(3) . . ?
O4 C49 H49A 109.3 . . ?
C4 C49 H49A 109.3 . . ?
O4 C49 H49B 109.3 . . ?
C4 C49 H49B 109.3 . . ?
H49A C49 H49B 108.0 . . ?
N52 C51 C52 107.7(5) . . ?
N52 C51 H51 126.2 . . ?
C52 C51 H51 126.2 . . ?
C51 C52 C53 105.0(5) . . ?
C51 C52 H52 127.5 . . ?
C53 C52 H52 127.5 . . ?
N51 C53 C52 111.6(5) . . ?
N51 C53 H53 124.2 . . ?
C52 C53 H53 124.2 . . ?
N54 C54 C55 106.8(4) . . ?
N54 C54 H54 126.6 . . ?
C55 C54 H54 126.6 . . ?
C54 C55 C56 105.3(4) . . ?
C54 C55 H55 127.4 . . ?
C56 C55 H55 127.4 . . ?
N53 C56 C55 112.1(4) . . ?
N53 C56 H56 124.0 . . ?
C55 C56 H56 124.0 . . ?
N52 C57 N54 111.3(3) . . ?
N52 C57 C58 112.1(4) . . ?
N54 C57 C58 111.5(4) . . ?
N52 C57 H57 107.2 . . ?
N54 C57 H57 107.2 . . ?
C58 C57 H57 107.2 . . ?
O5 C58 C57 105.6(3) . . ?
O5 C58 H58A 110.6 . . ?
C57 C58 H58A 110.6 . . ?
O5 C58 H58B 110.6 . . ?
C57 C58 H58B 110.6 . . ?
H58A C58 H58B 108.7 . . ?
O5 C59 C5 114.5(3) . . ?
O5 C59 H59A 108.6 . . ?
C5 C59 H59A 108.6 . . ?
O5 C59 H59B 108.6 . . ?
C5 C59 H59B 108.6 . . ?
H59A C59 H59B 107.6 . . ?
N62 C61 C62 106.9(5) . . ?
N62 C61 H61 126.6 . . ?
C62 C61 H61 126.6 . . ?
C61 C62 C63 104.9(5) . . ?
C61 C62 H62 127.6 . . ?
C63 C62 H62 127.6 . . ?
N61 C63 C62 112.0(5) . . ?
N61 C63 H63 124.0 . . ?
C62 C63 H63 124.0 . . ?
C65 C64 N64 105.8(5) . . ?
C65 C64 H64 127.1 . . ?
N64 C64 H64 127.1 . . ?
C64 C65 C66 106.6(5) . . ?
C64 C65 H65 126.7 . . ?
C66 C65 H65 126.7 . . ?
N63 C66 C65 111.0(5) . . ?
N63 C66 H66 124.5 . . ?
C65 C66 H66 124.5 . . ?
N64 C67 N62 113.3(4) . . ?
N64 C67 C68 110.2(4) . . ?
N62 C67 C68 110.8(4) . . ?
N64 C67 H67 107.4 . . ?
N62 C67 H67 107.4 . . ?
C68 C67 H67 107.4 . . ?
O6 C68 C67 112.3(4) . . ?
O6 C68 H68A 109.1 . . ?
C67 C68 H68A 109.1 . . ?
O6 C68 H68B 109.1 . . ?
C67 C68 H68B 109.1 . . ?
H68A C68 H68B 107.9 . . ?
O6 C69 C6 108.9(3) . . ?
O6 C69 H69A 109.9 . . ?
C6 C69 H69A 109.9 . . ?
O6 C69 H69B 109.9 . . ?
C6 C69 H69B 109.9 . . ?
H69A C69 H69B 108.3 . . ?
C72 C71 H71A 109.5 . . ?
C72 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C72 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
O7 C72 C71 108.8(5) . . ?
O7 C72 H72A 109.9 . . ?
C71 C72 H72A 109.9 . . ?
O7 C72 H72B 109.9 . . ?
C71 C72 H72B 109.9 . . ?
H72A C72 H72B 108.3 . . ?
O7 C73 C74 109.2(5) . . ?
O7 C73 H73A 109.8 . . ?
C74 C73 H73A 109.8 . . ?
O7 C73 H73B 109.8 . . ?
C74 C73 H73B 109.8 . . ?
H73A C73 H73B 108.3 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C13 N11 N12 104.3(4) . . ?
C13 N11 Ag1 131.5(3) . . ?
N12 N11 Ag1 120.4(3) . . ?
C11 N12 N11 111.6(4) . . ?
C11 N12 C17 127.5(4) . . ?
N11 N12 C17 120.8(3) . . ?
C16 N13 N14 104.5(4) . . ?
C16 N13 Ag1 128.2(3) . . ?
N14 N13 Ag1 122.3(3) . . ?
C14 N14 N13 110.6(4) . . ?
C14 N14 C17 128.5(4) . . ?
N13 N14 C17 120.9(4) . . ?
C23 N21 N22 103.9(4) . . ?
C23 N21 Ag3 124.7(3) . 1_665 ?
N22 N21 Ag3 121.5(3) . 1_665 ?
C21 N22 N21 112.0(4) . . ?
C21 N22 C27 126.6(4) . . ?
N21 N22 C27 120.8(4) . . ?
C26 N23 N24 104.1(4) . . ?
C26 N23 Ag3 114.0(3) . 1_665 ?
N24 N23 Ag3 118.1(3) . 1_665 ?
N23 N24 C24 112.4(4) . . ?
N23 N24 C27 120.5(4) . . ?
C24 N24 C27 127.1(4) . . ?
C33 N31 N32 104.3(4) . . ?
C33 N31 Ag2 130.2(3) . . ?
N32 N31 Ag2 119.1(3) . . ?
C31 N32 N31 111.3(4) . . ?
C31 N32 C37 127.9(4) . . ?
N31 N32 C37 120.4(3) . . ?
C36 N33 N34 104.8(4) . . ?
C36 N33 Ag2 132.0(3) . . ?
N34 N33 Ag2 120.8(3) . . ?
C34 N34 N33 111.3(3) . . ?
C34 N34 C37 126.6(4) . . ?
N33 N34 C37 121.1(3) . . ?
C43 N41 N42 104.2(4) . . ?
C43 N41 Ag1 129.9(3) . . ?
N42 N41 Ag1 115.6(3) . . ?
C41 N42 N41 112.4(4) . . ?
C41 N42 C47 127.1(4) . . ?
N41 N42 C47 120.3(3) . . ?
C46 N43 N44 105.2(4) . . ?
C46 N43 Ag1 127.6(3) . . ?
N44 N43 Ag1 122.5(3) . . ?
C44 N44 N43 111.2(4) . . ?
C44 N44 C47 127.6(4) . . ?
N43 N44 C47 121.2(3) . . ?
C53 N51 N52 104.1(4) . . ?
C53 N51 Ag2 131.4(3) . . ?
N52 N51 Ag2 118.0(3) . . ?
C51 N52 N51 111.6(4) . . ?
C51 N52 C57 127.5(4) . . ?
N51 N52 C57 120.8(4) . . ?
C56 N53 N54 103.7(4) . . ?
C56 N53 Ag2 130.1(3) . . ?
N54 N53 Ag2 117.5(3) . . ?
C54 N54 N53 112.1(4) . . ?
C54 N54 C57 127.2(4) . . ?
N53 N54 C57 120.7(4) . . ?
C63 N61 N62 103.7(4) . . ?
C63 N61 Ag3 119.5(3) . . ?
N62 N61 Ag3 120.2(3) . . ?
C61 N62 N61 112.5(4) . . ?
C61 N62 C67 126.6(4) . . ?
N61 N62 C67 120.3(4) . . ?
C66 N63 N64 104.4(4) . . ?
C66 N63 Ag3 120.3(3) . . ?
N64 N63 Ag3 119.4(3) . . ?
N63 N64 C64 112.2(4) . . ?
N63 N64 C67 120.8(4) . . ?
C64 N64 C67 126.8(4) . . ?
C18 O1 C19 115.1(3) . . ?
C28 O2 C29 108.7(3) . . ?
C38 O3 C39 113.6(3) . . ?
C48 O4 C49 112.4(3) . . ?
C58 O5 C59 113.5(3) . . ?
C68 O6 C69 112.9(3) . . ?
C72 O7 C73 112.4(4) . . ?
C72 O7 Ag3 115.9(3) . . ?
C73 O7 Ag3 109.0(3) . . ?
F13 B1 F12 112.2(5) . . ?
F13 B1 F11 108.4(5) . . ?
F12 B1 F11 110.1(4) . . ?
F13 B1 F14 109.3(5) . . ?
F12 B1 F14 109.9(5) . . ?
F11 B1 F14 106.8(5) . . ?
F22 B2 F23 111.0(5) . . ?
F22 B2 F24 109.8(4) . . ?
F23 B2 F24 110.7(4) . . ?
F22 B2 F21 108.6(4) . . ?
F23 B2 F21 107.8(4) . . ?
F24 B2 F21 109.0(5) . . ?
F31A B3A F32A 109.5(6) . . ?
F31A B3A F33A 110.1(7) . . ?
F32A B3A F33A 109.2(6) . . ?
F31A B3A F34A 110.0(6) . . ?
F32A B3A F34A 109.2(6) . . ?
F33A B3A F34A 108.9(7) . . ?
F33B B3B F31B 110.3(17) . . ?
F33B B3B F32B 107.9(16) . . ?
F31B B3B F32B 110.4(17) . . ?
F33B B3B F34B 108.3(16) . . ?
F31B B3B F34B 111.7(17) . . ?
F32B B3B F34B 108.1(16) . . ?
N81 C81 C82 177.4(7) . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
N82 C83 C84 171.5(10) . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
N83 C85 C86 177.8(12) . . ?
C85 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C85 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
N84 C87 C88 179.0(12) . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
N85 C89 C90 177.1(11) . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
N86 C91 C92 174(4) . . ?
C92 C92 C91 171(5) 2_756 . ?
C92 C92 H92A 66.5 2_756 . ?
C91 C92 H92A 110.4 . . ?
C92 C92 H92B 78.8 2_756 . ?
C91 C92 H92B 109.7 . . ?
H92A C92 H92B 109.5 . . ?
C92 C92 H92C 66.7 2_756 . ?
C91 C92 H92C 108.4 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
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 N43 2.234(4) . ?
Ag1 N13 2.263(4) . ?
Ag1 N11 2.324(4) . ?
Ag1 N41 2.424(4) . ?
Ag2 N33 2.282(4) . ?
Ag2 N51 2.310(4) . ?
Ag2 N31 2.311(4) . ?
Ag2 N53 2.313(4) . ?
Ag3 N61 2.391(4) . ?
Ag3 N21 2.396(4) 1_445 ?
Ag3 N23 2.410(4) 1_445 ?
Ag3 N63 2.457(4) . ?
Ag3 O7 2.483(3) . ?
C1 C2 1.398(6) . ?
C1 C6 1.402(6) . ?
C1 C19 1.526(6) . ?
C2 C3 1.406(6) . ?
C2 C29 1.517(6) . ?
C3 C4 1.410(6) . ?
C3 C39 1.517(6) . ?
C4 C5 1.408(6) . ?
C4 C49 1.509(6) . ?
C5 C6 1.394(6) . ?
C5 C59 1.524(6) . ?
C6 C69 1.504(6) . ?
C11 N12 1.345(5) . ?
C11 C12 1.360(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.380(7) . ?
C12 H12 0.9500 . ?
C13 N11 1.333(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.355(6) . ?
C14 N14 1.355(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.368(7) . ?
C15 H15 0.9500 . ?
C16 N13 1.327(6) . ?
C16 H16 0.9500 . ?
C17 N12 1.450(5) . ?
C17 N14 1.454(5) . ?
C17 C18 1.521(6) . ?
C17 H17 1.0000 . ?
C18 O1 1.412(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 O1 1.440(5) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C21 N22 1.345(5) . ?
C21 C22 1.359(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.389(7) . ?
C22 H22 0.9500 . ?
C23 N21 1.340(6) . ?
C23 H23 0.9500 . ?
C24 N24 1.361(6) . ?
C24 C25 1.366(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.379(7) . ?
C25 H25 0.9500 . ?
C26 N23 1.338(6) . ?
C26 H26 0.9500 . ?
C27 N24 1.449(5) . ?
C27 N22 1.462(5) . ?
C27 C28 1.509(6) . ?
C27 H27 1.0000 . ?
C28 O2 1.417(5) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 O2 1.433(5) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C31 N32 1.348(5) . ?
C31 C32 1.361(6) . ?
C31 H31 0.9500 . ?
C32 C33 1.388(7) . ?
C32 H32 0.9500 . ?
C33 N31 1.326(6) . ?
C33 H33 0.9500 . ?
C34 N34 1.334(5) . ?
C34 C35 1.367(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.374(6) . ?
C35 H35 0.9500 . ?
C36 N33 1.335(5) . ?
C36 H36 0.9500 . ?
C37 N32 1.456(5) . ?
C37 N34 1.464(5) . ?
C37 C38 1.516(6) . ?
C37 H37 1.0000 . ?
C38 O3 1.417(5) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 O3 1.443(5) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C41 N42 1.344(5) . ?
C41 C42 1.362(6) . ?
C41 H41 0.9500 . ?
C42 C43 1.382(7) . ?
C42 H42 0.9500 . ?
C43 N41 1.334(6) . ?
C43 H43 0.9500 . ?
C44 N44 1.346(5) . ?
C44 C45 1.360(7) . ?
C44 H44 0.9500 . ?
C45 C46 1.394(7) . ?
C45 H45 0.9500 . ?
C46 N43 1.330(6) . ?
C46 H46 0.9500 . ?
C47 N44 1.448(5) . ?
C47 N42 1.458(5) . ?
C47 C48 1.520(6) . ?
C47 H47 1.0000 . ?
C48 O4 1.411(5) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 O4 1.436(5) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C51 N52 1.334(6) . ?
C51 C52 1.349(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.380(7) . ?
C52 H52 0.9500 . ?
C53 N51 1.329(6) . ?
C53 H53 0.9500 . ?
C54 N54 1.341(5) . ?
C54 C55 1.364(6) . ?
C54 H54 0.9500 . ?
C55 C56 1.378(7) . ?
C55 H55 0.9500 . ?
C56 N53 1.333(6) . ?
C56 H56 0.9500 . ?
C57 N52 1.455(6) . ?
C57 N54 1.456(5) . ?
C57 C58 1.516(6) . ?
C57 H57 1.0000 . ?
C58 O5 1.411(5) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 O5 1.435(5) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C61 N62 1.346(6) . ?
C61 C62 1.363(7) . ?
C61 H61 0.9500 . ?
C62 C63 1.390(7) . ?
C62 H62 0.9500 . ?
C63 N61 1.334(6) . ?
C63 H63 0.9500 . ?
C64 C65 1.355(7) . ?
C64 N64 1.355(6) . ?
C64 H64 0.9500 . ?
C65 C66 1.383(7) . ?
C65 H65 0.9500 . ?
C66 N63 1.330(6) . ?
C66 H66 0.9500 . ?
C67 N64 1.456(6) . ?
C67 N62 1.457(5) . ?
C67 C68 1.532(6) . ?
C67 H67 1.0000 . ?
C68 O6 1.412(5) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 O6 1.438(5) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C71 C72 1.481(7) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 O7 1.435(6) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 O7 1.438(6) . ?
C73 C74 1.502(8) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
N11 N12 1.359(5) . ?
N13 N14 1.360(5) . ?
N21 N22 1.349(5) . ?
N21 Ag3 2.396(4) 1_665 ?
N23 N24 1.352(5) . ?
N23 Ag3 2.410(4) 1_665 ?
N31 N32 1.363(5) . ?
N33 N34 1.355(5) . ?
N41 N42 1.356(5) . ?
N43 N44 1.353(5) . ?
N51 N52 1.350(5) . ?
N53 N54 1.359(5) . ?
N61 N62 1.351(5) . ?
N63 N64 1.353(5) . ?
B1 F13 1.362(6) . ?
B1 F12 1.375(6) . ?
B1 F11 1.378(6) . ?
B1 F14 1.389(6) . ?
B2 F22 1.366(6) . ?
B2 F23 1.373(7) . ?
B2 F24 1.381(6) . ?
B2 F21 1.417(6) . ?
B3A F31A 1.363(7) . ?
B3A F32A 1.365(7) . ?
B3A F33A 1.368(8) . ?
B3A F34A 1.373(8) . ?
B3B F33B 1.359(13) . ?
B3B F31B 1.362(13) . ?
B3B F32B 1.365(13) . ?
B3B F34B 1.376(13) . ?
N81 C81 1.125(6) . ?
C81 C82 1.425(8) . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
N82 C83 1.180(10) . ?
C83 C84 1.364(10) . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
N83 C85 1.132(12) . ?
C85 C86 1.536(13) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
N84 C87 1.144(12) . ?
C87 C88 1.440(12) . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
N85 C89 1.121(7) . ?
C89 C90 1.425(11) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
N86 C91 1.126(10) . ?
C91 C92 1.420(11) . ?
C92 C92 0.98(4) 2_756 ?
C92 H92A 0.9600 . ?
C92 H92B 0.9600 . ?
C92 H92C 0.9599 . ?
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
C6 C1 C2 C3 0.4(6) . . . . ?
C19 C1 C2 C3 -179.4(3) . . . . ?
C6 C1 C2 C29 176.8(4) . . . . ?
C19 C1 C2 C29 -3.1(6) . . . . ?
C1 C2 C3 C4 -3.4(6) . . . . ?
C29 C2 C3 C4 -179.7(4) . . . . ?
C1 C2 C3 C39 175.8(4) . . . . ?
C29 C2 C3 C39 -0.5(5) . . . . ?
C2 C3 C4 C5 3.7(6) . . . . ?
C39 C3 C4 C5 -175.4(3) . . . . ?
C2 C3 C4 C49 -172.9(3) . . . . ?
C39 C3 C4 C49 8.0(5) . . . . ?
C3 C4 C5 C6 -1.2(6) . . . . ?
C49 C4 C5 C6 175.3(3) . . . . ?
C3 C4 C5 C59 -179.3(3) . . . . ?
C49 C4 C5 C59 -2.8(6) . . . . ?
C4 C5 C6 C1 -1.8(6) . . . . ?
C59 C5 C6 C1 176.4(4) . . . . ?
C4 C5 C6 C69 177.6(4) . . . . ?
C59 C5 C6 C69 -4.2(6) . . . . ?
C2 C1 C6 C5 2.1(6) . . . . ?
C19 C1 C6 C5 -178.0(3) . . . . ?
C2 C1 C6 C69 -177.2(4) . . . . ?
C19 C1 C6 C69 2.6(5) . . . . ?
N12 C11 C12 C13 1.0(5) . . . . ?
C11 C12 C13 N11 -0.8(6) . . . . ?
N14 C14 C15 C16 -0.3(5) . . . . ?
C14 C15 C16 N13 0.3(5) . . . . ?
N12 C17 C18 O1 -167.9(3) . . . . ?
N14 C17 C18 O1 65.9(4) . . . . ?
C2 C1 C19 O1 -118.6(4) . . . . ?
C6 C1 C19 O1 61.5(5) . . . . ?
N22 C21 C22 C23 0.7(5) . . . . ?
C21 C22 C23 N21 0.5(6) . . . . ?
N24 C24 C25 C26 1.1(6) . . . . ?
C24 C25 C26 N23 -1.2(6) . . . . ?
N24 C27 C28 O2 65.2(5) . . . . ?
N22 C27 C28 O2 -170.5(3) . . . . ?
C1 C2 C29 O2 60.7(5) . . . . ?
C3 C2 C29 O2 -123.0(4) . . . . ?
N32 C31 C32 C33 0.5(5) . . . . ?
C31 C32 C33 N31 0.4(5) . . . . ?
N34 C34 C35 C36 0.0(6) . . . . ?
C34 C35 C36 N33 -1.4(6) . . . . ?
N32 C37 C38 O3 -74.9(4) . . . . ?
N34 C37 C38 O3 159.1(3) . . . . ?
C2 C3 C39 O3 -60.8(5) . . . . ?
C4 C3 C39 O3 118.4(4) . . . . ?
N42 C41 C42 C43 -0.7(5) . . . . ?
C41 C42 C43 N41 1.3(6) . . . . ?
N44 C44 C45 C46 0.1(5) . . . . ?
C44 C45 C46 N43 0.0(5) . . . . ?
N44 C47 C48 O4 65.0(4) . . . . ?
N42 C47 C48 O4 -169.6(3) . . . . ?
C5 C4 C49 O4 -119.9(4) . . . . ?
C3 C4 C49 O4 56.6(5) . . . . ?
N52 C51 C52 C53 0.4(5) . . . . ?
C51 C52 C53 N51 -0.2(6) . . . . ?
N54 C54 C55 C56 -0.6(6) . . . . ?
C54 C55 C56 N53 0.6(6) . . . . ?
N52 C57 C58 O5 -53.7(4) . . . . ?
N54 C57 C58 O5 -179.4(3) . . . . ?
C6 C5 C59 O5 122.2(4) . . . . ?
C4 C5 C59 O5 -59.6(5) . . . . ?
N62 C61 C62 C63 0.3(5) . . . . ?
C61 C62 C63 N61 0.8(6) . . . . ?
N64 C64 C65 C66 0.1(6) . . . . ?
C64 C65 C66 N63 -0.5(6) . . . . ?
N64 C67 C68 O6 -179.3(3) . . . . ?
N62 C67 C68 O6 -53.1(5) . . . . ?
C5 C6 C69 O6 -81.3(5) . . . . ?
C1 C6 C69 O6 98.0(4) . . . . ?
C12 C13 N11 N12 0.3(5) . . . . ?
C12 C13 N11 Ag1 -157.4(3) . . . . ?
N43 Ag1 N11 C13 -76.8(4) . . . . ?
N13 Ag1 N11 C13 141.1(4) . . . . ?
N41 Ag1 N11 C13 31.3(5) . . . . ?
N43 Ag1 N11 N12 128.4(3) . . . . ?
N13 Ag1 N11 N12 -13.7(3) . . . . ?
N41 Ag1 N11 N12 -123.5(3) . . . . ?
C12 C11 N12 N11 -0.9(5) . . . . ?
C12 C11 N12 C17 -175.8(4) . . . . ?
C13 N11 N12 C11 0.4(5) . . . . ?
Ag1 N11 N12 C11 161.2(3) . . . . ?
C13 N11 N12 C17 175.7(4) . . . . ?
Ag1 N11 N12 C17 -23.5(5) . . . . ?
N14 C17 N12 C11 -115.0(5) . . . . ?
C18 C17 N12 C11 118.2(5) . . . . ?
N14 C17 N12 N11 70.5(5) . . . . ?
C18 C17 N12 N11 -56.3(5) . . . . ?
C15 C16 N13 N14 -0.3(5) . . . . ?
C15 C16 N13 Ag1 154.9(3) . . . . ?
N43 Ag1 N13 C16 100.3(4) . . . . ?
N11 Ag1 N13 C16 -136.1(4) . . . . ?
N41 Ag1 N13 C16 -6.6(4) . . . . ?
N43 Ag1 N13 N14 -108.6(3) . . . . ?
N11 Ag1 N13 N14 15.0(3) . . . . ?
N41 Ag1 N13 N14 144.5(3) . . . . ?
C15 C14 N14 N13 0.1(5) . . . . ?
C15 C14 N14 C17 -177.2(4) . . . . ?
C16 N13 N14 C14 0.1(4) . . . . ?
Ag1 N13 N14 C14 -156.9(3) . . . . ?
C16 N13 N14 C17 177.6(4) . . . . ?
Ag1 N13 N14 C17 20.7(5) . . . . ?
N12 C17 N14 C14 108.1(5) . . . . ?
C18 C17 N14 C14 -126.3(4) . . . . ?
N12 C17 N14 N13 -69.0(5) . . . . ?
C18 C17 N14 N13 56.6(5) . . . . ?
C22 C23 N21 N22 -1.5(5) . . . . ?
C22 C23 N21 Ag3 -147.3(3) . . . 1_665 ?
C22 C21 N22 N21 -1.8(5) . . . . ?
C22 C21 N22 C27 -172.5(4) . . . . ?
C23 N21 N22 C21 2.0(5) . . . . ?
Ag3 N21 N22 C21 149.2(3) 1_665 . . . ?
C23 N21 N22 C27 173.4(4) . . . . ?
Ag3 N21 N22 C27 -39.5(5) 1_665 . . . ?
N24 C27 N22 C21 -118.6(5) . . . . ?
C28 C27 N22 C21 116.5(5) . . . . ?
N24 C27 N22 N21 71.4(5) . . . . ?
C28 C27 N22 N21 -53.5(5) . . . . ?
C25 C26 N23 N24 0.7(5) . . . . ?
C25 C26 N23 Ag3 130.8(4) . . . 1_665 ?
C26 N23 N24 C24 0.1(5) . . . . ?
Ag3 N23 N24 C24 -127.5(3) 1_665 . . . ?
C26 N23 N24 C27 176.9(4) . . . . ?
Ag3 N23 N24 C27 49.3(4) 1_665 . . . ?
C25 C24 N24 N23 -0.8(5) . . . . ?
C25 C24 N24 C27 -177.3(4) . . . . ?
N22 C27 N24 N23 -78.5(5) . . . . ?
C28 C27 N24 N23 44.3(5) . . . . ?
N22 C27 N24 C24 97.8(5) . . . . ?
C28 C27 N24 C24 -139.4(5) . . . . ?
C32 C33 N31 N32 -1.0(5) . . . . ?
C32 C33 N31 Ag2 -151.9(3) . . . . ?
N33 Ag2 N31 C33 141.0(4) . . . . ?
N51 Ag2 N31 C33 -103.0(4) . . . . ?
N53 Ag2 N31 C33 0.0(4) . . . . ?
N33 Ag2 N31 N32 -6.4(3) . . . . ?
N51 Ag2 N31 N32 109.7(3) . . . . ?
N53 Ag2 N31 N32 -147.3(3) . . . . ?
C32 C31 N32 N31 -1.1(5) . . . . ?
C32 C31 N32 C37 -173.7(4) . . . . ?
C33 N31 N32 C31 1.3(4) . . . . ?
Ag2 N31 N32 C31 156.1(3) . . . . ?
C33 N31 N32 C37 174.5(3) . . . . ?
Ag2 N31 N32 C37 -30.7(4) . . . . ?
N34 C37 N32 C31 -114.3(4) . . . . ?
C38 C37 N32 C31 120.4(4) . . . . ?
N34 C37 N32 N31 73.7(5) . . . . ?
C38 C37 N32 N31 -51.5(5) . . . . ?
C35 C36 N33 N34 2.2(5) . . . . ?
C35 C36 N33 Ag2 164.1(3) . . . . ?
N51 Ag2 N33 C36 80.8(4) . . . . ?
N31 Ag2 N33 C36 -150.1(4) . . . . ?
N53 Ag2 N33 C36 -33.7(5) . . . . ?
N51 Ag2 N33 N34 -119.7(3) . . . . ?
N31 Ag2 N33 N34 9.4(3) . . . . ?
N53 Ag2 N33 N34 125.9(3) . . . . ?
C35 C34 N34 N33 1.3(6) . . . . ?
C35 C34 N34 C37 169.9(4) . . . . ?
C36 N33 N34 C34 -2.1(5) . . . . ?
Ag2 N33 N34 C34 -166.6(3) . . . . ?
C36 N33 N34 C37 -171.5(4) . . . . ?
Ag2 N33 N34 C37 24.1(5) . . . . ?
N32 C37 N34 C34 122.8(5) . . . . ?
C38 C37 N34 C34 -111.6(5) . . . . ?
N32 C37 N34 N33 -69.6(5) . . . . ?
C38 C37 N34 N33 55.9(5) . . . . ?
C42 C43 N41 N42 -1.4(5) . . . . ?
C42 C43 N41 Ag1 -143.7(4) . . . . ?
N43 Ag1 N41 C43 136.2(4) . . . . ?
N13 Ag1 N41 C43 -83.4(4) . . . . ?
N11 Ag1 N41 C43 15.4(5) . . . . ?
N43 Ag1 N41 N42 -2.7(3) . . . . ?
N13 Ag1 N41 N42 137.7(3) . . . . ?
N11 Ag1 N41 N42 -123.5(3) . . . . ?
C42 C41 N42 N41 -0.1(5) . . . . ?
C42 C41 N42 C47 -174.4(4) . . . . ?
C43 N41 N42 C41 0.9(5) . . . . ?
Ag1 N41 N42 C41 149.6(3) . . . . ?
C43 N41 N42 C47 175.6(4) . . . . ?
Ag1 N41 N42 C47 -35.7(5) . . . . ?
N44 C47 N42 C41 -108.0(5) . . . . ?
C48 C47 N42 C41 126.4(5) . . . . ?
N44 C47 N42 N41 78.0(5) . . . . ?
C48 C47 N42 N41 -47.5(5) . . . . ?
C45 C46 N43 N44 -0.1(5) . . . . ?
C45 C46 N43 Ag1 155.6(3) . . . . ?
N13 Ag1 N43 C46 101.5(4) . . . . ?
N11 Ag1 N43 C46 -11.7(4) . . . . ?
N41 Ag1 N43 C46 -143.9(4) . . . . ?
N13 Ag1 N43 N44 -106.6(3) . . . . ?
N11 Ag1 N43 N44 140.2(3) . . . . ?
N41 Ag1 N43 N44 8.0(3) . . . . ?
C45 C44 N44 N43 -0.2(5) . . . . ?
C45 C44 N44 C47 177.8(4) . . . . ?
C46 N43 N44 C44 0.2(5) . . . . ?
Ag1 N43 N44 C44 -157.1(3) . . . . ?
C46 N43 N44 C47 -177.9(4) . . . . ?
Ag1 N43 N44 C47 24.8(5) . . . . ?
N42 C47 N44 C44 111.3(5) . . . . ?
C48 C47 N44 C44 -123.9(5) . . . . ?
N42 C47 N44 N43 -70.9(5) . . . . ?
C48 C47 N44 N43 53.9(5) . . . . ?
C52 C53 N51 N52 0.0(5) . . . . ?
C52 C53 N51 Ag2 -149.9(3) . . . . ?
N33 Ag2 N51 C53 -5.5(5) . . . . ?
N31 Ag2 N51 C53 -109.7(4) . . . . ?
N53 Ag2 N51 C53 137.3(4) . . . . ?
N33 Ag2 N51 N52 -152.1(3) . . . . ?
N31 Ag2 N51 N52 103.7(3) . . . . ?
N53 Ag2 N51 N52 -9.3(3) . . . . ?
C52 C51 N52 N51 -0.4(5) . . . . ?
C52 C51 N52 C57 -177.4(4) . . . . ?
C53 N51 N52 C51 0.2(5) . . . . ?
Ag2 N51 N52 C51 155.0(3) . . . . ?
C53 N51 N52 C57 177.5(4) . . . . ?
Ag2 N51 N52 C57 -27.7(5) . . . . ?
N54 C57 N52 C51 -107.8(5) . . . . ?
C58 C57 N52 C51 126.5(4) . . . . ?
N54 C57 N52 N51 75.4(5) . . . . ?
C58 C57 N52 N51 -50.3(5) . . . . ?
C55 C56 N53 N54 -0.2(5) . . . . ?
C55 C56 N53 Ag2 145.5(4) . . . . ?
N33 Ag2 N53 C56 -10.6(5) . . . . ?
N51 Ag2 N53 C56 -133.1(4) . . . . ?
N31 Ag2 N53 C56 98.1(4) . . . . ?
N33 Ag2 N53 N54 131.3(3) . . . . ?
N51 Ag2 N53 N54 8.8(3) . . . . ?
N31 Ag2 N53 N54 -120.0(3) . . . . ?
C55 C54 N54 N53 0.5(5) . . . . ?
C55 C54 N54 C57 -179.2(4) . . . . ?
C56 N53 N54 C54 -0.2(5) . . . . ?
Ag2 N53 N54 C54 -151.2(3) . . . . ?
C56 N53 N54 C57 179.6(4) . . . . ?
Ag2 N53 N54 C57 28.6(5) . . . . ?
N52 C57 N54 C54 103.8(5) . . . . ?
C58 C57 N54 C54 -130.1(5) . . . . ?
N52 C57 N54 N53 -76.0(5) . . . . ?
C58 C57 N54 N53 50.1(5) . . . . ?
C62 C63 N61 N62 -1.5(5) . . . . ?
C62 C63 N61 Ag3 -138.6(4) . . . . ?
N23 Ag3 N61 C63 54.7(4) 1_445 . . . ?
N63 Ag3 N61 C63 150.3(4) . . . . ?
O7 Ag3 N61 C63 -69.8(4) . . . . ?
N23 Ag3 N61 N62 -75.4(3) 1_445 . . . ?
N63 Ag3 N61 N62 20.2(3) . . . . ?
O7 Ag3 N61 N62 160.1(3) . . . . ?
C62 C61 N62 N61 -1.3(5) . . . . ?
C62 C61 N62 C67 -171.7(4) . . . . ?
C63 N61 N62 C61 1.7(5) . . . . ?
Ag3 N61 N62 C61 138.5(3) . . . . ?
C63 N61 N62 C67 172.8(4) . . . . ?
Ag3 N61 N62 C67 -50.4(5) . . . . ?
N64 C67 N62 C61 -116.1(5) . . . . ?
C68 C67 N62 C61 119.5(5) . . . . ?
N64 C67 N62 N61 74.2(5) . . . . ?
C68 C67 N62 N61 -50.3(5) . . . . ?
C65 C66 N63 N64 0.6(6) . . . . ?
C65 C66 N63 Ag3 138.1(4) . . . . ?
N61 Ag3 N63 C66 -149.6(4) . . . . ?
N21 Ag3 N63 C66 27.8(4) 1_445 . . . ?
N23 Ag3 N63 C66 -55.8(4) 1_445 . . . ?
O7 Ag3 N63 C66 123.1(4) . . . . ?
N61 Ag3 N63 N64 -18.3(3) . . . . ?
N21 Ag3 N63 N64 159.1(3) 1_445 . . . ?
N23 Ag3 N63 N64 75.5(3) 1_445 . . . ?
O7 Ag3 N63 N64 -105.6(3) . . . . ?
C66 N63 N64 C64 -0.6(5) . . . . ?
Ag3 N63 N64 C64 -138.6(3) . . . . ?
C66 N63 N64 C67 -176.0(4) . . . . ?
Ag3 N63 N64 C67 46.0(5) . . . . ?
C65 C64 N64 N63 0.3(6) . . . . ?
C65 C64 N64 C67 175.4(4) . . . . ?
N62 C67 N64 N63 -71.7(5) . . . . ?
C68 C67 N64 N63 53.1(5) . . . . ?
N62 C67 N64 C64 113.6(5) . . . . ?
C68 C67 N64 C64 -121.6(5) . . . . ?
C17 C18 O1 C19 -158.3(3) . . . . ?
C1 C19 O1 C18 62.4(5) . . . . ?
C27 C28 O2 C29 168.2(4) . . . . ?
C2 C29 O2 C28 -172.2(4) . . . . ?
C37 C38 O3 C39 147.2(3) . . . . ?
C3 C39 O3 C38 -78.4(4) . . . . ?
C47 C48 O4 C49 -164.7(3) . . . . ?
C4 C49 O4 C48 69.2(4) . . . . ?
C57 C58 O5 C59 -173.1(3) . . . . ?
C5 C59 O5 C58 -64.0(5) . . . . ?
C67 C68 O6 C69 -66.8(5) . . . . ?
C6 C69 O6 C68 -157.0(4) . . . . ?
C71 C72 O7 C73 169.8(5) . . . . ?
C71 C72 O7 Ag3 -63.9(5) . . . . ?
C74 C73 O7 C72 178.7(5) . . . . ?
C74 C73 O7 Ag3 48.7(5) . . . . ?
N61 Ag3 O7 C72 120.1(3) . . . . ?
N21 Ag3 O7 C72 -63.6(4) 1_445 . . . ?
N23 Ag3 O7 C72 22.1(4) 1_445 . . . ?
N63 Ag3 O7 C72 -156.6(3) . . . . ?
N61 Ag3 O7 C73 -111.9(3) . . . . ?
N21 Ag3 O7 C73 64.4(3) 1_445 . . . ?
N23 Ag3 O7 C73 150.1(3) 1_445 . . . ?
N63 Ag3 O7 C73 -28.6(4) . . . . ?
