#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:00:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179166 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/27/4312744.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_4312744
loop_
_publ_author_name
'Daniel L. Reger'
'Radu F. Semeniuc'
'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
;
 Synthesis of Open and Closed Metallacages Using Novel Tripodal Ligands:
 Unusually Stable Silver(I) Inclusion Compound
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8137
_journal_page_last               8139
_journal_paper_doi               10.1021/ic035192o
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety
; 
[Ag5 (C78 H78 N36 O6)2 (CH3CN)2] (SO3CF3)5 solvate 
;
_chemical_formula_sum            'C167 H165 Ag5 F15 N75 O27 S5'
_chemical_formula_weight         4639.39
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.0430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   44.632(2)
_cell_length_b                   17.9597(9)
_cell_length_c                   30.2910(14)
_cell_measurement_reflns_used    9487
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      23.250
_cell_measurement_theta_min      2.372
_cell_volume                     23448.5(19)
_computing_cell_refinement       'SAINT+ NT V6.22 (Bruker, 2001)'
_computing_data_collection       'SMART NT V5.625 (Bruker, 1998)'
_computing_data_reduction        'SAINT+ NT V6.22'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0683
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            53952
_diffrn_reflns_theta_full        20.82
_diffrn_reflns_theta_max         20.82
_diffrn_reflns_theta_min         1.23
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    0.539
_exptl_absorpt_correction_T_max  0.8308
_exptl_absorpt_correction_T_min  0.5144
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             9432
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.089
_refine_diff_density_min         -0.742
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1156
_refine_ls_number_reflns         12253
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0694
_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)+(0.1004P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1688
_refine_ls_wR_factor_ref         0.1775
_reflns_number_gt                7654
_reflns_number_total             12253
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic035192osi20031015_014726_3.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_cell_volume        23448.6(19)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4312744
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.013896(12) 0.49197(4) 0.409482(18) 0.0934(3) Uani 1 1 d . . .
Ag2 Ag 0.0000 0.97526(7) 0.2500 0.1505(5) Uani 1 2 d S . .
Ag3 Ag 0.247985(13) 0.54977(4) 0.08609(2) 0.0869(2) Uani 1 1 d . . .
C1 C 0.08826(16) 0.5494(5) 0.4222(2) 0.072(2) Uani 1 1 d . . .
C2 C 0.19378(18) 0.9214(5) 0.4062(2) 0.079(2) Uani 1 1 d . . .
C3 C 0.0734(2) 0.9365(7) 0.2432(4) 0.111(3) Uani 1 1 d . . .
C4 C 0.18982(15) 0.6425(5) 0.1196(2) 0.0686(19) Uani 1 1 d . . .
C5 C 0.06383(15) 0.4850(5) 0.1402(2) 0.071(2) Uani 1 1 d . . .
C6 C 0.22313(18) 0.4218(5) 0.3695(3) 0.084(2) Uani 1 1 d . . .
C11 C 0.10887(16) 0.4836(5) 0.4986(2) 0.079(2) Uani 1 1 d . . .
H11 H 0.1291 0.5042 0.5074 0.094 Uiso 1 1 calc R . .
C12 C 0.09717(17) 0.4366(5) 0.5231(2) 0.085(2) Uani 1 1 d . . .
H12 H 0.1068 0.4174 0.5527 0.102 Uiso 1 1 calc R . .
C13 C 0.06757(18) 0.4214(5) 0.4961(3) 0.089(2) Uani 1 1 d . . .
H13 H 0.0536 0.3877 0.5045 0.106 Uiso 1 1 calc R . .
C14 C 0.0782(2) 0.6846(7) 0.4309(2) 0.089(2) Uani 1 1 d . . .
H14 H 0.0987 0.7030 0.4349 0.107 Uiso 1 1 calc R . .
C15 C 0.0534(3) 0.7258(5) 0.4318(2) 0.094(3) Uani 1 1 d . . .
H15 H 0.0528 0.7780 0.4364 0.113 Uiso 1 1 calc R . .
C16 C 0.0286(2) 0.6754(7) 0.4246(2) 0.094(3) Uani 1 1 d . . .
H16 H 0.0078 0.6884 0.4238 0.113 Uiso 1 1 calc R . .
C17 C 0.05817(19) 0.5424(6) 0.3397(3) 0.104(3) Uani 1 1 d . . .
H17 H 0.0483 0.5896 0.3368 0.125 Uiso 1 1 calc R . .
C18 C 0.0579(2) 0.4924(7) 0.3056(3) 0.117(3) Uani 1 1 d . . .
H18 H 0.0472 0.4966 0.2742 0.140 Uiso 1 1 calc R . .
C19 C 0.0767(2) 0.4343(6) 0.3266(3) 0.107(3) Uani 1 1 d . . .
H19 H 0.0809 0.3912 0.3111 0.129 Uiso 1 1 calc R . .
C21 C 0.1746(2) 0.9787(6) 0.4714(3) 0.118(3) Uani 1 1 d . . .
H21 H 0.1595 0.9428 0.4740 0.142 Uiso 1 1 calc R . .
C22 C 0.1824(3) 1.0415(6) 0.4966(3) 0.119(3) Uani 1 1 d . . .
H22 H 0.1736 1.0589 0.5202 0.143 Uiso 1 1 calc R . .
C23 C 0.2052(2) 1.0745(5) 0.4813(3) 0.101(3) Uani 1 1 d . . .
H23 H 0.2154 1.1191 0.4938 0.121 Uiso 1 1 calc R . .
C24 C 0.2302(3) 0.8139(6) 0.4358(3) 0.099(3) Uani 1 1 d . . .
H24 H 0.2158 0.7779 0.4407 0.119 Uiso 1 1 calc R . .
C25 C 0.2611(3) 0.8058(6) 0.4455(3) 0.107(3) Uani 1 1 d . . .
H25 H 0.2731 0.7635 0.4579 0.129 Uiso 1 1 calc R . .
C26 C 0.2716(2) 0.8735(6) 0.4331(3) 0.096(3) Uani 1 1 d . . .
H26 H 0.2929 0.8839 0.4364 0.115 Uiso 1 1 calc R . .
C27 C 0.20301(18) 0.9504(5) 0.3277(3) 0.086(2) Uani 1 1 d . . .
H27 H 0.2186 0.9148 0.3267 0.104 Uiso 1 1 calc R . .
C28 C 0.1896(2) 0.9981(5) 0.2942(3) 0.096(3) Uani 1 1 d . . .
H28 H 0.1935 1.0027 0.2649 0.115 Uiso 1 1 calc R . .
C29 C 0.1688(2) 1.0395(5) 0.3115(4) 0.105(3) Uani 1 1 d . . .
H29 H 0.1564 1.0789 0.2956 0.126 Uiso 1 1 calc R . .
C31 C 0.0889(3) 1.0689(8) 0.2400(4) 0.135(4) Uani 1 1 d . . .
H31 H 0.1066 1.0634 0.2283 0.161 Uiso 1 1 calc R . .
C32 C 0.0773(3) 1.1336(8) 0.2499(5) 0.169(5) Uani 1 1 d . . .
H32 H 0.0852 1.1823 0.2481 0.202 Uiso 1 1 calc R . .
C33 C 0.0501(3) 1.1122(9) 0.2639(5) 0.161(4) Uani 1 1 d . . .
H33 H 0.0365 1.1464 0.2726 0.194 Uiso 1 1 calc R . .
C34 C 0.0587(3) 0.8851(6) 0.1624(4) 0.123(3) Uani 1 1 d . . .
H34 H 0.0788 0.8749 0.1587 0.147 Uiso 1 1 calc R . .
C35 C 0.0317(3) 0.8754(6) 0.1301(4) 0.131(3) Uani 1 1 d . . .
H35 H 0.0287 0.8568 0.0999 0.157 Uiso 1 1 calc R . .
C36 C 0.0090(2) 0.8995(7) 0.1519(5) 0.134(4) Uani 1 1 d . . .
H36 H -0.0127 0.9001 0.1376 0.161 Uiso 1 1 calc R . .
C37 C 0.0499(3) 0.8323(8) 0.2777(5) 0.137(4) Uani 1 1 d . . .
H37 H 0.0391 0.8080 0.2503 0.164 Uiso 1 1 calc R . .
C38 C 0.0528(3) 0.8086(8) 0.3223(7) 0.159(5) Uani 1 1 d . . .
H38 H 0.0443 0.7644 0.3315 0.191 Uiso 1 1 calc R . .
C39 C 0.0706(3) 0.8622(10) 0.3511(5) 0.150(5) Uani 1 1 d . . .
H39 H 0.0759 0.8605 0.3836 0.180 Uiso 1 1 calc R . .
C41 C 0.16826(18) 0.6990(5) 0.0396(3) 0.107(3) Uani 1 1 d . . .
H41 H 0.1558 0.7377 0.0468 0.129 Uiso 1 1 calc R . .
C42 C 0.1713(2) 0.6821(6) -0.0024(3) 0.120(3) Uani 1 1 d . . .
H42 H 0.1614 0.7058 -0.0304 0.145 Uiso 1 1 calc R . .
C43 C 0.19179(19) 0.6230(5) 0.0040(3) 0.091(3) Uani 1 1 d . . .
H43 H 0.1985 0.5990 -0.0197 0.110 Uiso 1 1 calc R . .
C44 C 0.22627(18) 0.7270(5) 0.1746(3) 0.082(2) Uani 1 1 d . . .
H44 H 0.2116 0.7584 0.1831 0.099 Uiso 1 1 calc R . .
C45 C 0.25767(19) 0.7315(5) 0.1902(3) 0.088(2) Uani 1 1 d . . .
H45 H 0.2694 0.7661 0.2116 0.106 Uiso 1 1 calc R . .
C46 C 0.26883(17) 0.6747(5) 0.1683(3) 0.077(2) Uani 1 1 d . . .
H46 H 0.2903 0.6644 0.1727 0.092 Uiso 1 1 calc R . .
C47 C 0.16413(15) 0.5255(5) 0.1026(2) 0.0607(19) Uani 1 1 d . . .
H47 H 0.1489 0.5420 0.0763 0.073 Uiso 1 1 calc R . .
C48 C 0.16701(19) 0.4620(7) 0.1204(3) 0.098(3) Uani 1 1 d . . .
H48 H 0.1531 0.4226 0.1084 0.118 Uiso 1 1 calc R . .
C49 C 0.1921(2) 0.4522(5) 0.1594(3) 0.092(2) Uani 1 1 d . . .
H49 H 0.1984 0.4089 0.1774 0.110 Uiso 1 1 calc R . .
C51 C 0.07443(17) 0.4038(4) 0.0783(2) 0.077(2) Uani 1 1 d . . .
H51 H 0.0943 0.3851 0.0937 0.093 Uiso 1 1 calc R . .
C52 C 0.05756(18) 0.3855(5) 0.0352(2) 0.083(2) Uani 1 1 d . . .
H52 H 0.0632 0.3527 0.0142 0.100 Uiso 1 1 calc R . .
C53 C 0.03042(17) 0.4255(5) 0.0292(3) 0.084(2) Uani 1 1 d . . .
H53 H 0.0139 0.4228 0.0022 0.101 Uiso 1 1 calc R . .
C54 C 0.05995(17) 0.3963(5) 0.2026(2) 0.082(2) Uani 1 1 d . . .
H54 H 0.0814 0.3890 0.2166 0.099 Uiso 1 1 calc R . .
C55 C 0.0364(2) 0.3613(5) 0.2142(2) 0.088(2) Uani 1 1 d . . .
H55 H 0.0377 0.3248 0.2374 0.106 Uiso 1 1 calc R . .
C56 C 0.00993(18) 0.3904(5) 0.1850(3) 0.092(2) Uani 1 1 d . . .
H56 H -0.0105 0.3762 0.1852 0.110 Uiso 1 1 calc R . .
C57 C 0.03992(18) 0.6004(7) 0.1662(3) 0.091(2) Uani 1 1 d . . .
H57 H 0.0308 0.5796 0.1885 0.109 Uiso 1 1 calc R . .
C58 C 0.0418(2) 0.6730(7) 0.1570(3) 0.104(3) Uani 1 1 d . . .
H58 H 0.0343 0.7139 0.1709 0.125 Uiso 1 1 calc R . .
C59 C 0.05726(18) 0.6752(6) 0.1220(3) 0.091(2) Uani 1 1 d . . .
H59 H 0.0618 0.7199 0.1082 0.110 Uiso 1 1 calc R . .
C61 C 0.2568(2) 0.3298(7) 0.4196(3) 0.098(3) Uani 1 1 d . . .
H61 H 0.2764 0.3526 0.4222 0.117 Uiso 1 1 calc R . .
C62 C 0.2514(4) 0.2670(8) 0.4400(4) 0.125(4) Uani 1 1 d . . .
H62 H 0.2665 0.2373 0.4602 0.150 Uiso 1 1 calc R . .
C63 C 0.2202(4) 0.2530(7) 0.4266(5) 0.144(4) Uani 1 1 d . . .
H63 H 0.2101 0.2116 0.4360 0.173 Uiso 1 1 calc R . .
C64 C 0.2304(3) 0.4258(5) 0.2898(3) 0.119(3) Uani 1 1 d . . .
H64 H 0.2095 0.4286 0.2723 0.143 Uiso 1 1 calc R . .
C65 C 0.2550(3) 0.4223(6) 0.2732(4) 0.134(4) Uani 1 1 d . . .
H65 H 0.2551 0.4218 0.2419 0.161 Uiso 1 1 calc R . .
C66 C 0.2812(3) 0.4195(7) 0.3112(6) 0.163(5) Uani 1 1 d . . .
H66 H 0.3022 0.4170 0.3099 0.196 Uiso 1 1 calc R . .
C67 C 0.2496(3) 0.5411(9) 0.4001(6) 0.169(5) Uani 1 1 d . . .
H67 H 0.2620 0.5494 0.3793 0.203 Uiso 1 1 calc R . .
C68 C 0.2475(3) 0.5873(9) 0.4351(7) 0.172(6) Uani 1 1 d . . .
H68 H 0.2574 0.6341 0.4428 0.207 Uiso 1 1 calc R . .
C69 C 0.2293(4) 0.5537(10) 0.4551(4) 0.154(5) Uani 1 1 d . . .
H69 H 0.2242 0.5721 0.4816 0.185 Uiso 1 1 calc R . .
C71 C 0.12189(14) 0.5712(5) 0.4263(2) 0.078(2) Uani 1 1 d . . .
H71A H 0.1300 0.6024 0.4537 0.093 Uiso 1 1 calc R . .
H71B H 0.1351 0.5263 0.4285 0.093 Uiso 1 1 calc R . .
C72 C 0.15227(16) 0.6260(5) 0.3804(2) 0.087(2) Uani 1 1 d . . .
H72A H 0.1656 0.5812 0.3879 0.104 Uiso 1 1 calc R . .
H72B H 0.1623 0.6675 0.4003 0.104 Uiso 1 1 calc R . .
C73 C 0.16757(17) 0.8673(5) 0.4013(2) 0.090(2) Uani 1 1 d . . .
H73A H 0.1689 0.8420 0.4308 0.107 Uiso 1 1 calc R . .
H73B H 0.1474 0.8936 0.3919 0.107 Uiso 1 1 calc R . .
C74 C 0.14077(18) 0.7793(5) 0.3483(3) 0.096(3) Uani 1 1 d . . .
H74A H 0.1257 0.8168 0.3320 0.116 Uiso 1 1 calc R . .
H74B H 0.1328 0.7578 0.3731 0.116 Uiso 1 1 calc R . .
C75 C 0.1068(2) 0.9169(6) 0.2433(3) 0.105(3) Uani 1 1 d . . .
H75A H 0.1116 0.9367 0.2155 0.126 Uiso 1 1 calc R . .
H75B H 0.1215 0.9391 0.2704 0.126 Uiso 1 1 calc R . .
C76 C 0.14140(17) 0.8142(6) 0.2560(3) 0.096(3) Uani 1 1 d . . .
H76A H 0.1540 0.8443 0.2816 0.115 Uiso 1 1 calc R . .
H76B H 0.1501 0.8201 0.2294 0.115 Uiso 1 1 calc R . .
C77 C 0.16359(14) 0.6876(4) 0.1305(2) 0.075(2) Uani 1 1 d . . .
H77A H 0.1659 0.7411 0.1241 0.090 Uiso 1 1 calc R . .
H77B H 0.1432 0.6702 0.1117 0.090 Uiso 1 1 calc R . .
C78 C 0.13662(15) 0.6928(4) 0.1879(2) 0.079(2) Uani 1 1 d . . .
H78A H 0.1201 0.6604 0.1695 0.094 Uiso 1 1 calc R . .
H78B H 0.1307 0.7453 0.1806 0.094 Uiso 1 1 calc R . .
C79 C 0.09976(14) 0.4837(5) 0.1615(2) 0.081(2) Uani 1 1 d . . .
H79A H 0.1071 0.4318 0.1681 0.097 Uiso 1 1 calc R . .
H79B H 0.1106 0.5059 0.1401 0.097 Uiso 1 1 calc R . .
C80 C 0.13883(14) 0.5413(4) 0.2185(2) 0.073(2) Uani 1 1 d . . .
H80A H 0.1474 0.5566 0.1929 0.087 Uiso 1 1 calc R . .
H80B H 0.1502 0.4967 0.2332 0.087 Uiso 1 1 calc R . .
C81 C 0.18693(19) 0.4265(5) 0.3488(3) 0.098(3) Uani 1 1 d . . .
H81A H 0.1797 0.3855 0.3268 0.117 Uiso 1 1 calc R . .
H81B H 0.1760 0.4231 0.3733 0.117 Uiso 1 1 calc R . .
C82 C 0.14814(14) 0.5085(5) 0.3152(2) 0.079(2) Uani 1 1 d . . .
H82A H 0.1395 0.5027 0.3419 0.094 Uiso 1 1 calc R . .
H82B H 0.1369 0.4749 0.2905 0.094 Uiso 1 1 calc R . .
C101 C 0.14711(15) 0.6467(6) 0.3302(2) 0.074(2) Uani 1 1 d . . .
C102 C 0.14419(16) 0.7189(6) 0.3157(3) 0.080(2) Uani 1 1 d . . .
C103 C 0.14225(16) 0.7352(5) 0.2695(3) 0.080(2) Uani 1 1 d . . .
C104 C 0.14067(15) 0.6783(6) 0.2388(2) 0.076(2) Uani 1 1 d . . .
C105 C 0.14166(14) 0.6032(5) 0.2524(2) 0.071(2) Uani 1 1 d . . .
C106 C 0.14576(14) 0.5880(5) 0.2991(2) 0.0683(19) Uani 1 1 d . . .
N11 N 0.06102(13) 0.4596(4) 0.45701(19) 0.0792(18) Uani 1 1 d . . .
N12 N 0.08714(13) 0.4978(4) 0.45854(18) 0.0732(16) Uani 1 1 d . . .
N13 N 0.03824(15) 0.6071(5) 0.41910(17) 0.087(2) Uani 1 1 d . . .
N14 N 0.06960(15) 0.6136(5) 0.42358(18) 0.0764(17) Uani 1 1 d . . .
N15 N 0.08807(15) 0.4462(5) 0.3712(2) 0.095(2) Uani 1 1 d . . .
N16 N 0.07551(14) 0.5102(5) 0.37834(19) 0.0808(18) Uani 1 1 d . . .
N21 N 0.21145(14) 1.0378(4) 0.4476(2) 0.0795(17) Uani 1 1 d . . .
N22 N 0.19265(15) 0.9773(4) 0.4417(2) 0.0847(18) Uani 1 1 d . . .
N23 N 0.24975(16) 0.9215(4) 0.4165(2) 0.0836(18) Uani 1 1 d . . .
N24 N 0.22324(15) 0.8831(5) 0.4176(2) 0.0827(18) Uani 1 1 d . . .
N25 N 0.16859(16) 1.0171(5) 0.3529(3) 0.099(2) Uani 1 1 d . . .
N26 N 0.19025(14) 0.9626(4) 0.3632(2) 0.0805(18) Uani 1 1 d . . .
N31 N 0.0465(3) 1.0390(6) 0.2632(4) 0.150(3) Uani 1 1 d . . .
N32 N 0.0714(2) 1.0127(6) 0.2493(3) 0.121(3) Uani 1 1 d . . .
N33 N 0.0211(2) 0.9207(5) 0.1938(4) 0.131(3) Uani 1 1 d . . .
N34 N 0.05252(19) 0.9115(4) 0.2005(3) 0.111(2) Uani 1 1 d . . .
N35 N 0.0792(2) 0.9164(6) 0.3264(4) 0.141(3) Uani 1 1 d . . .
N36 N 0.0652(2) 0.8958(6) 0.2813(4) 0.121(3) Uani 1 1 d . . .
N41 N 0.20076(13) 0.6044(4) 0.0480(2) 0.0868(19) Uani 1 1 d . . .
N42 N 0.18623(12) 0.6509(4) 0.06999(19) 0.0756(17) Uani 1 1 d . . .
N43 N 0.24648(13) 0.6362(3) 0.14035(18) 0.0742(16) Uani 1 1 d . . .
N44 N 0.21985(12) 0.6697(4) 0.14485(18) 0.0664(15) Uani 1 1 d . . .
N45 N 0.20502(18) 0.5230(5) 0.1643(3) 0.117(3) Uani 1 1 d . . .
N46 N 0.18767(13) 0.5651(4) 0.12913(19) 0.0684(16) Uani 1 1 d . . .
N51 N 0.02967(12) 0.4673(4) 0.06414(19) 0.0801(18) Uani 1 1 d . . .
N52 N 0.05754(13) 0.4531(4) 0.09446(17) 0.0703(16) Uani 1 1 d . . .
N53 N 0.01633(12) 0.4401(4) 0.1566(2) 0.088(2) Uani 1 1 d . . .
N54 N 0.04813(12) 0.4430(3) 0.16806(18) 0.0686(16) Uani 1 1 d . . .
N55 N 0.06455(14) 0.6101(5) 0.1108(2) 0.0846(18) Uani 1 1 d . . .
N56 N 0.05353(13) 0.5620(4) 0.1380(2) 0.0762(17) Uani 1 1 d . . .
N61 N 0.2062(2) 0.3072(6) 0.3983(3) 0.120(3) Uani 1 1 d . . .
N62 N 0.2292(2) 0.3543(5) 0.3951(2) 0.096(2) Uani 1 1 d . . .
N63 N 0.2716(2) 0.4208(6) 0.3487(3) 0.144(3) Uani 1 1 d . . .
N64 N 0.24015(19) 0.4250(5) 0.3356(2) 0.113(2) Uani 1 1 d . . .
N65 N 0.2190(3) 0.4921(6) 0.4351(3) 0.146(4) Uani 1 1 d . . .
N66 N 0.23218(17) 0.4848(5) 0.4003(2) 0.096(2) Uani 1 1 d . . .
O1 O 0.12141(10) 0.6112(3) 0.38643(15) 0.0832(14) Uani 1 1 d . . .
O2 O 0.17015(11) 0.8142(3) 0.36728(16) 0.0892(15) Uani 1 1 d . . .
O3 O 0.10960(13) 0.8394(4) 0.24456(19) 0.1080(18) Uani 1 1 d . . .
O4 O 0.16569(9) 0.6768(3) 0.17788(14) 0.0765(13) Uani 1 1 d . . .
O5 O 0.10568(9) 0.5252(3) 0.20204(13) 0.0779(14) Uani 1 1 d . . .
O6 O 0.18146(12) 0.4927(4) 0.32757(17) 0.0939(16) Uani 1 1 d . . .
N71 N 0.0000 0.6629(13) 0.2500 0.221(10) Uani 1 2 d SD . .
C111 C 0.0274(2) 0.6618(14) 0.2590(8) 0.135(9) Uani 0.50 1 d PD . .
C112 C 0.0624(4) 0.6640(12) 0.2691(6) 0.196(14) Uani 0.50 1 d PD . .
H11A H 0.0696 0.6231 0.2530 0.293 Uiso 0.50 1 calc PR . .
H11B H 0.0714 0.6585 0.3021 0.293 Uiso 0.50 1 calc PR . .
H11C H 0.0689 0.7116 0.2589 0.293 Uiso 0.50 1 calc PR . .
N81 N 0.2341(6) 0.7932(8) 0.3049(7) 0.286(10) Uani 1 1 d D . .
C121 C 0.2292(4) 0.7297(11) 0.2992(5) 0.177(6) Uani 1 1 d D . .
C122 C 0.2281(4) 0.6468(9) 0.2911(6) 0.235(8) Uani 1 1 d D . .
H12A H 0.2124 0.6354 0.2628 0.353 Uiso 1 1 calc R . .
H12B H 0.2229 0.6215 0.3168 0.353 Uiso 1 1 calc R . .
H12C H 0.2485 0.6297 0.2885 0.353 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 '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'
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
N11 Ag1 N53 132.7(2) . 2 ?
N11 Ag1 N13 79.9(2) . . ?
N53 Ag1 N13 128.4(2) 2 . ?
N11 Ag1 N51 116.6(2) . 2 ?
N53 Ag1 N51 82.4(2) 2 2 ?
N13 Ag1 N51 122.2(2) . 2 ?
N31 Ag2 N31 120.6(6) . 2 ?
N31 Ag2 N33 126.1(4) . 2 ?
N31 Ag2 N33 79.8(4) 2 2 ?
N31 Ag2 N33 79.8(4) . . ?
N31 Ag2 N33 126.1(4) 2 . ?
N33 Ag2 N33 131.0(4) 2 . ?
N43 Ag3 N21 123.8(2) . 4_545 ?
N43 Ag3 N23 135.7(2) . 4_545 ?
N21 Ag3 N23 81.1(2) 4_545 4_545 ?
N43 Ag3 N41 83.0(2) . . ?
N21 Ag3 N41 122.1(2) 4_545 . ?
N23 Ag3 N41 116.3(2) 4_545 . ?
N14 C1 N12 111.1(6) . . ?
N14 C1 N16 108.6(6) . . ?
N12 C1 N16 107.2(6) . . ?
N14 C1 C71 111.1(7) . . ?
N12 C1 C71 109.3(6) . . ?
N16 C1 C71 109.6(6) . . ?
N24 C2 N26 109.5(6) . . ?
N24 C2 N22 110.5(6) . . ?
N26 C2 N22 106.5(6) . . ?
N24 C2 C73 110.8(7) . . ?
N26 C2 C73 109.7(6) . . ?
N22 C2 C73 109.8(6) . . ?
N32 C3 N34 112.0(9) . . ?
N32 C3 N36 110.1(9) . . ?
N34 C3 N36 108.0(9) . . ?
N32 C3 C75 108.9(9) . . ?
N34 C3 C75 109.2(9) . . ?
N36 C3 C75 108.6(8) . . ?
N46 C4 N44 108.9(6) . . ?
N46 C4 N42 108.0(6) . . ?
N44 C4 N42 110.2(5) . . ?
N46 C4 C77 112.1(6) . . ?
N44 C4 C77 111.3(6) . . ?
N42 C4 C77 106.2(6) . . ?
N54 C5 N56 109.2(6) . . ?
N54 C5 N52 110.4(6) . . ?
N56 C5 N52 110.5(6) . . ?
N54 C5 C79 110.6(6) . . ?
N56 C5 C79 108.1(6) . . ?
N52 C5 C79 108.1(6) . . ?
N62 C6 N64 111.3(7) . . ?
N62 C6 N66 109.3(7) . . ?
N64 C6 N66 108.6(8) . . ?
N62 C6 C81 107.0(8) . . ?
N64 C6 C81 113.2(7) . . ?
N66 C6 C81 107.3(7) . . ?
C12 C11 N12 109.0(7) . . ?
C12 C11 H11 125.5 . . ?
N12 C11 H11 125.5 . . ?
C11 C12 C13 104.4(7) . . ?
C11 C12 H12 127.8 . . ?
C13 C12 H12 127.8 . . ?
N11 C13 C12 112.3(7) . . ?
N11 C13 H13 123.9 . . ?
C12 C13 H13 123.9 . . ?
N14 C14 C15 109.1(9) . . ?
N14 C14 H14 125.4 . . ?
C15 C14 H14 125.4 . . ?
C14 C15 C16 105.3(9) . . ?
C14 C15 H15 127.3 . . ?
C16 C15 H15 127.3 . . ?
N13 C16 C15 110.3(8) . . ?
N13 C16 H16 124.9 . . ?
C15 C16 H16 124.9 . . ?
N16 C17 C18 105.3(9) . . ?
N16 C17 H17 127.3 . . ?
C18 C17 H17 127.3 . . ?
C17 C18 C19 105.2(8) . . ?
C17 C18 H18 127.4 . . ?
C19 C18 H18 127.4 . . ?
N15 C19 C18 111.9(9) . . ?
N15 C19 H19 124.1 . . ?
C18 C19 H19 124.1 . . ?
N22 C21 C22 106.4(8) . . ?
N22 C21 H21 126.8 . . ?
C22 C21 H21 126.8 . . ?
C21 C22 C23 105.9(8) . . ?
C21 C22 H22 127.0 . . ?
C23 C22 H22 127.0 . . ?
N21 C23 C22 112.2(8) . . ?
N21 C23 H23 123.9 . . ?
C22 C23 H23 123.9 . . ?
C25 C24 N24 107.6(9) . . ?
C25 C24 H24 126.2 . . ?
N24 C24 H24 126.2 . . ?
C24 C25 C26 104.1(9) . . ?
C24 C25 H25 128.0 . . ?
C26 C25 H25 128.0 . . ?
N23 C26 C25 114.6(8) . . ?
N23 C26 H26 122.7 . . ?
C25 C26 H26 122.7 . . ?
C28 C27 N26 107.4(8) . . ?
C28 C27 H27 126.3 . . ?
N26 C27 H27 126.3 . . ?
C27 C28 C29 105.4(8) . . ?
C27 C28 H28 127.3 . . ?
C29 C28 H28 127.3 . . ?
N25 C29 C28 111.4(8) . . ?
N25 C29 H29 124.3 . . ?
C28 C29 H29 124.3 . . ?
C32 C31 N32 109.0(11) . . ?
C32 C31 H31 125.5 . . ?
N32 C31 H31 125.5 . . ?
C31 C32 C33 103.8(12) . . ?
C31 C32 H32 128.1 . . ?
C33 C32 H32 128.1 . . ?
N31 C33 C32 111.7(13) . . ?
N31 C33 H33 124.1 . . ?
C32 C33 H33 124.1 . . ?
N34 C34 C35 108.9(10) . . ?
N34 C34 H34 125.5 . . ?
C35 C34 H34 125.5 . . ?
C34 C35 C36 103.6(10) . . ?
C34 C35 H35 128.2 . . ?
C36 C35 H35 128.2 . . ?
N33 C36 C35 112.3(10) . . ?
N33 C36 H36 123.9 . . ?
C35 C36 H36 123.9 . . ?
N36 C37 C38 105.6(13) . . ?
N36 C37 H37 127.2 . . ?
C38 C37 H37 127.2 . . ?
C37 C38 C39 106.8(13) . . ?
C37 C38 H38 126.6 . . ?
C39 C38 H38 126.6 . . ?
N35 C39 C38 110.5(12) . . ?
N35 C39 H39 124.8 . . ?
C38 C39 H39 124.8 . . ?
C42 C41 N42 108.0(8) . . ?
C42 C41 H41 126.0 . . ?
N42 C41 H41 126.0 . . ?
C41 C42 C43 105.4(8) . . ?
C41 C42 H42 127.3 . . ?
C43 C42 H42 127.3 . . ?
N41 C43 C42 110.5(7) . . ?
N41 C43 H43 124.8 . . ?
C42 C43 H43 124.8 . . ?
N44 C44 C45 107.4(7) . . ?
N44 C44 H44 126.3 . . ?
C45 C44 H44 126.3 . . ?
C44 C45 C46 104.9(7) . . ?
C44 C45 H45 127.5 . . ?
C46 C45 H45 127.5 . . ?
N43 C46 C45 112.8(6) . . ?
N43 C46 H46 123.6 . . ?
C45 C46 H46 123.6 . . ?
C48 C47 N46 104.2(7) . . ?
C48 C47 H47 127.9 . . ?
N46 C47 H47 127.9 . . ?
C47 C48 C49 116.4(8) . . ?
C47 C48 H48 121.8 . . ?
C49 C48 H48 121.8 . . ?
N45 C49 C48 101.2(8) . . ?
N45 C49 H49 129.4 . . ?
C48 C49 H49 129.4 . . ?
N52 C51 C52 106.6(6) . . ?
N52 C51 H51 126.7 . . ?
C52 C51 H51 126.7 . . ?
C51 C52 C53 104.4(7) . . ?
C51 C52 H52 127.8 . . ?
C53 C52 H52 127.8 . . ?
N51 C53 C52 113.5(6) . . ?
N51 C53 H53 123.2 . . ?
C52 C53 H53 123.2 . . ?
N54 C54 C55 108.7(7) . . ?
N54 C54 H54 125.6 . . ?
C55 C54 H54 125.6 . . ?
C54 C55 C56 104.5(7) . . ?
C54 C55 H55 127.7 . . ?
C56 C55 H55 127.7 . . ?
N53 C56 C55 112.4(7) . . ?
N53 C56 H56 123.8 . . ?
C55 C56 H56 123.8 . . ?
C58 C57 N56 107.4(8) . . ?
C58 C57 H57 126.3 . . ?
N56 C57 H57 126.3 . . ?
C57 C58 C59 104.7(9) . . ?
C57 C58 H58 127.6 . . ?
C59 C58 H58 127.6 . . ?
N55 C59 C58 112.4(9) . . ?
N55 C59 H59 123.8 . . ?
C58 C59 H59 123.8 . . ?
C62 C61 N62 106.5(10) . . ?
C62 C61 H61 126.8 . . ?
N62 C61 H61 126.8 . . ?
C61 C62 C63 108.1(13) . . ?
C61 C62 H62 125.9 . . ?
C63 C62 H62 125.9 . . ?
N61 C63 C62 108.9(13) . . ?
N61 C63 H63 125.5 . . ?
C62 C63 H63 125.5 . . ?
C65 C64 N64 108.3(10) . . ?
C65 C64 H64 125.8 . . ?
N64 C64 H64 125.8 . . ?
C64 C65 C66 106.6(10) . . ?
C64 C65 H65 126.7 . . ?
C66 C65 H65 126.7 . . ?
N63 C66 C65 108.4(11) . . ?
N63 C66 H66 125.8 . . ?
C65 C66 H66 125.8 . . ?
N66 C67 C68 108.2(14) . . ?
N66 C67 H67 125.9 . . ?
C68 C67 H67 125.9 . . ?
C69 C68 C67 105.1(14) . . ?
C69 C68 H68 127.4 . . ?
C67 C68 H68 127.4 . . ?
C68 C69 N65 112.1(15) . . ?
C68 C69 H69 124.0 . . ?
N65 C69 H69 124.0 . . ?
O1 C71 C1 105.5(5) . . ?
O1 C71 H71A 110.6 . . ?
C1 C71 H71A 110.6 . . ?
O1 C71 H71B 110.6 . . ?
C1 C71 H71B 110.6 . . ?
H71A C71 H71B 108.8 . . ?
O1 C72 C101 105.4(5) . . ?
O1 C72 H72A 110.7 . . ?
C101 C72 H72A 110.7 . . ?
O1 C72 H72B 110.7 . . ?
C101 C72 H72B 110.7 . . ?
H72A C72 H72B 108.8 . . ?
O2 C73 C2 107.2(5) . . ?
O2 C73 H73A 110.3 . . ?
C2 C73 H73A 110.3 . . ?
O2 C73 H73B 110.3 . . ?
C2 C73 H73B 110.3 . . ?
H73A C73 H73B 108.5 . . ?
O2 C74 C102 110.0(6) . . ?
O2 C74 H74A 109.7 . . ?
C102 C74 H74A 109.7 . . ?
O2 C74 H74B 109.7 . . ?
C102 C74 H74B 109.7 . . ?
H74A C74 H74B 108.2 . . ?
O3 C75 C3 108.1(8) . . ?
O3 C75 H75A 110.1 . . ?
C3 C75 H75A 110.1 . . ?
O3 C75 H75B 110.1 . . ?
C3 C75 H75B 110.1 . . ?
H75A C75 H75B 108.4 . . ?
O3 C76 C103 108.8(7) . . ?
O3 C76 H76A 109.9 . . ?
C103 C76 H76A 109.9 . . ?
O3 C76 H76B 109.9 . . ?
C103 C76 H76B 109.9 . . ?
H76A C76 H76B 108.3 . . ?
O4 C77 C4 106.9(5) . . ?
O4 C77 H77A 110.3 . . ?
C4 C77 H77A 110.3 . . ?
O4 C77 H77B 110.3 . . ?
C4 C77 H77B 110.3 . . ?
H77A C77 H77B 108.6 . . ?
O4 C78 C104 107.7(5) . . ?
O4 C78 H78A 110.2 . . ?
C104 C78 H78A 110.2 . . ?
O4 C78 H78B 110.2 . . ?
C104 C78 H78B 110.2 . . ?
H78A C78 H78B 108.5 . . ?
O5 C79 C5 107.1(5) . . ?
O5 C79 H79A 110.3 . . ?
C5 C79 H79A 110.3 . . ?
O5 C79 H79B 110.3 . . ?
C5 C79 H79B 110.3 . . ?
H79A C79 H79B 108.5 . . ?
O5 C80 C105 106.2(5) . . ?
O5 C80 H80A 110.5 . . ?
C105 C80 H80A 110.5 . . ?
O5 C80 H80B 110.5 . . ?
C105 C80 H80B 110.5 . . ?
H80A C80 H80B 108.7 . . ?
O6 C81 C6 106.1(7) . . ?
O6 C81 H81A 110.5 . . ?
C6 C81 H81A 110.5 . . ?
O6 C81 H81B 110.5 . . ?
C6 C81 H81B 110.5 . . ?
H81A C81 H81B 108.7 . . ?
O6 C82 C106 104.4(6) . . ?
O6 C82 H82A 110.9 . . ?
C106 C82 H82A 110.9 . . ?
O6 C82 H82B 110.9 . . ?
C106 C82 H82B 110.9 . . ?
H82A C82 H82B 108.9 . . ?
C102 C101 C106 121.0(7) . . ?
C102 C101 C72 121.9(7) . . ?
C106 C101 C72 117.1(8) . . ?
C101 C102 C103 119.4(8) . . ?
C101 C102 C74 119.6(7) . . ?
C103 C102 C74 120.8(9) . . ?
C104 C103 C102 119.8(8) . . ?
C104 C103 C76 122.6(8) . . ?
C102 C103 C76 117.7(8) . . ?
C103 C104 C105 121.7(7) . . ?
C103 C104 C78 121.9(8) . . ?
C105 C104 C78 116.3(7) . . ?
C106 C105 C104 117.7(7) . . ?
C106 C105 C80 120.8(8) . . ?
C104 C105 C80 121.5(7) . . ?
C101 C106 C105 120.1(8) . . ?
C101 C106 C82 120.6(7) . . ?
C105 C106 C82 119.3(7) . . ?
C13 N11 N12 104.1(6) . . ?
C13 N11 Ag1 129.9(5) . . ?
N12 N11 Ag1 122.6(5) . . ?
N11 N12 C11 110.2(6) . . ?
N11 N12 C1 120.1(5) . . ?
C11 N12 C1 129.5(6) . . ?
C16 N13 N14 105.3(8) . . ?
C16 N13 Ag1 133.2(7) . . ?
N14 N13 Ag1 121.4(7) . . ?
C14 N14 N13 109.9(8) . . ?
C14 N14 C1 129.1(8) . . ?
N13 N14 C1 120.9(8) . . ?
N16 N15 C19 103.8(8) . . ?
N15 N16 C17 113.6(7) . . ?
N15 N16 C1 118.8(7) . . ?
C17 N16 C1 124.9(8) . . ?
C23 N21 N22 104.9(7) . . ?
C23 N21 Ag3 130.6(7) . 4 ?
N22 N21 Ag3 123.1(5) . 4 ?
C21 N22 N21 110.6(7) . . ?
C21 N22 C2 129.2(8) . . ?
N21 N22 C2 120.2(6) . . ?
C26 N23 N24 102.7(7) . . ?
C26 N23 Ag3 129.8(6) . 4 ?
N24 N23 Ag3 123.1(6) . 4 ?
C24 N24 N23 111.0(7) . . ?
C24 N24 C2 129.1(9) . . ?
N23 N24 C2 119.3(8) . . ?
C29 N25 N26 105.0(7) . . ?
N25 N26 C27 110.7(7) . . ?
N25 N26 C2 118.3(6) . . ?
C27 N26 C2 130.5(8) . . ?
C33 N31 N32 104.0(11) . . ?
C33 N31 Ag2 126.5(10) . . ?
N32 N31 Ag2 122.6(8) . . ?
C31 N32 N31 111.3(10) . . ?
C31 N32 C3 130.6(11) . . ?
N31 N32 C3 117.8(10) . . ?
C36 N33 N34 105.0(9) . . ?
C36 N33 Ag2 133.1(9) . . ?
N34 N33 Ag2 121.7(8) . . ?
C34 N34 N33 110.2(9) . . ?
C34 N34 C3 130.4(9) . . ?
N33 N34 C3 119.1(9) . . ?
C39 N35 N36 103.5(10) . . ?
C37 N36 N35 113.6(10) . . ?
C37 N36 C3 125.8(13) . . ?
N35 N36 C3 119.5(11) . . ?
C43 N41 N42 106.5(7) . . ?
C43 N41 Ag3 126.7(6) . . ?
N42 N41 Ag3 120.5(4) . . ?
N41 N42 C41 109.7(6) . . ?
N41 N42 C4 120.4(6) . . ?
C41 N42 C4 129.9(7) . . ?
C46 N43 N44 103.7(6) . . ?
C46 N43 Ag3 131.3(5) . . ?
N44 N43 Ag3 124.1(4) . . ?
C44 N44 N43 111.2(5) . . ?
C44 N44 C4 128.2(7) . . ?
N43 N44 C4 120.5(6) . . ?
N46 N45 C49 106.7(7) . . ?
C47 N46 N45 111.6(7) . . ?
C47 N46 C4 118.4(6) . . ?
N45 N46 C4 129.8(7) . . ?
C53 N51 N52 103.1(6) . . ?
C53 N51 Ag1 126.0(5) . 2 ?
N52 N51 Ag1 120.1(4) . 2 ?
C51 N52 N51 112.3(5) . . ?
C51 N52 C5 128.4(6) . . ?
N51 N52 C5 118.9(6) . . ?
C56 N53 N54 104.2(6) . . ?
C56 N53 Ag1 131.5(5) . 2 ?
N54 N53 Ag1 122.7(5) . 2 ?
C54 N54 N53 110.3(6) . . ?
C54 N54 C5 129.3(6) . . ?
N53 N54 C5 119.9(6) . . ?
C59 N55 N56 105.0(7) . . ?
C57 N56 N55 110.5(7) . . ?
C57 N56 C5 129.8(8) . . ?
N55 N56 C5 117.9(7) . . ?
C63 N61 N62 105.4(10) . . ?
C61 N62 N61 111.1(8) . . ?
C61 N62 C6 126.9(11) . . ?
N61 N62 C6 122.0(9) . . ?
C66 N63 N64 107.0(10) . . ?
C64 N64 N63 109.7(8) . . ?
C64 N64 C6 130.8(9) . . ?
N63 N64 C6 119.3(7) . . ?
C69 N65 N66 106.0(11) . . ?
C67 N66 N65 108.6(10) . . ?
C67 N66 C6 132.9(11) . . ?
N65 N66 C6 118.3(9) . . ?
C71 O1 C72 113.4(5) . . ?
C73 O2 C74 110.1(5) . . ?
C75 O3 C76 113.3(7) . . ?
C77 O4 C78 111.0(5) . . ?
C79 O5 C80 110.4(5) . . ?
C81 O6 C82 109.9(6) . . ?
C111 N71 C111 178(4) . 2 ?
N71 C111 C112 177(3) . . ?
C111 C112 H11A 109.5 . . ?
C111 C112 H11B 109.5 . . ?
H11A C112 H11B 109.5 . . ?
C111 C112 H11C 109.5 . . ?
H11A C112 H11C 109.5 . . ?
H11B C112 H11C 109.5 . . ?
N81 C121 C122 171(2) . . ?
C121 C122 H12A 109.5 . . ?
C121 C122 H12B 109.5 . . ?
H12A C122 H12B 109.5 . . ?
C121 C122 H12C 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 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 N11 2.294(5) . ?
Ag1 N53 2.300(6) 2 ?
Ag1 N13 2.318(8) . ?
Ag1 N51 2.329(5) 2 ?
Ag2 N31 2.313(11) . ?
Ag2 N31 2.313(11) 2 ?
Ag2 N33 2.362(9) 2 ?
Ag2 N33 2.362(9) . ?
Ag3 N43 2.275(6) . ?
Ag3 N21 2.307(6) 4_545 ?
Ag3 N23 2.308(7) 4_545 ?
Ag3 N41 2.339(6) . ?
C1 N14 1.429(9) . ?
C1 N12 1.450(9) . ?
C1 N16 1.482(9) . ?
C1 C71 1.525(9) . ?
C2 N24 1.444(9) . ?
C2 N26 1.471(9) . ?
C2 N22 1.481(9) . ?
C2 C73 1.498(9) . ?
C3 N32 1.386(12) . ?
C3 N34 1.456(12) . ?
C3 N36 1.490(12) . ?
C3 C75 1.531(12) . ?
C4 N46 1.428(9) . ?
C4 N44 1.445(8) . ?
C4 N42 1.477(8) . ?
C4 C77 1.529(9) . ?
C5 N54 1.442(8) . ?
C5 N56 1.454(9) . ?
C5 N52 1.457(8) . ?
C5 C79 1.566(9) . ?
C6 N62 1.426(10) . ?
C6 N64 1.428(10) . ?
C6 N66 1.456(10) . ?
C6 C81 1.576(11) . ?
C11 C12 1.318(9) . ?
C11 N12 1.367(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.389(10) . ?
C12 H12 0.9500 . ?
C13 N11 1.333(9) . ?
C13 H13 0.9500 . ?
C14 N14 1.334(10) . ?
C14 C15 1.337(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.404(11) . ?
C15 H15 0.9500 . ?
C16 N13 1.324(10) . ?
C16 H16 0.9500 . ?
C17 N16 1.355(9) . ?
C17 C18 1.365(11) . ?
C17 H17 0.9500 . ?
C18 C19 1.386(12) . ?
C18 H18 0.9500 . ?
C19 N15 1.330(10) . ?
C19 H19 0.9500 . ?
C21 N22 1.354(10) . ?
C21 C22 1.356(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.360(11) . ?
C22 H22 0.9500 . ?
C23 N21 1.307(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.342(11) . ?
C24 N24 1.362(10) . ?
C24 H24 0.9500 . ?
C25 C26 1.388(11) . ?
C25 H25 0.9500 . ?
C26 N23 1.300(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.343(10) . ?
C27 N26 1.359(9) . ?
C27 H27 0.9500 . ?
C28 C29 1.393(12) . ?
C28 H28 0.9500 . ?
C29 N25 1.318(11) . ?
C29 H29 0.9500 . ?
C31 C32 1.336(14) . ?
C31 N32 1.350(12) . ?
C31 H31 0.9500 . ?
C32 C33 1.438(16) . ?
C32 H32 0.9500 . ?
C33 N31 1.323(14) . ?
C33 H33 0.9500 . ?
C34 N34 1.340(11) . ?
C34 C35 1.352(13) . ?
C34 H34 0.9500 . ?
C35 C36 1.412(13) . ?
C35 H35 0.9500 . ?
C36 N33 1.301(12) . ?
C36 H36 0.9500 . ?
C37 N36 1.320(13) . ?
C37 C38 1.391(16) . ?
C37 H37 0.9500 . ?
C38 C39 1.401(16) . ?
C38 H38 0.9500 . ?
C39 N35 1.343(13) . ?
C39 H39 0.9500 . ?
C41 C42 1.349(11) . ?
C41 N42 1.361(9) . ?
C41 H41 0.9500 . ?
C42 C43 1.382(11) . ?
C42 H42 0.9500 . ?
C43 N41 1.330(8) . ?
C43 H43 0.9500 . ?
C44 N44 1.348(9) . ?
C44 C45 1.360(10) . ?
C44 H44 0.9500 . ?
C45 C46 1.379(10) . ?
C45 H45 0.9500 . ?
C46 N43 1.322(8) . ?
C46 H46 0.9500 . ?
C47 C48 1.256(10) . ?
C47 N46 1.348(8) . ?
C47 H47 0.9500 . ?
C48 C49 1.412(11) . ?
C48 H48 0.9500 . ?
C49 N45 1.387(10) . ?
C49 H49 0.9500 . ?
C51 N52 1.336(8) . ?
C51 C52 1.365(9) . ?
C51 H51 0.9500 . ?
C52 C53 1.378(10) . ?
C52 H52 0.9500 . ?
C53 N51 1.305(9) . ?
C53 H53 0.9500 . ?
C54 N54 1.338(9) . ?
C54 C55 1.349(9) . ?
C54 H54 0.9500 . ?
C55 C56 1.382(10) . ?
C55 H55 0.9500 . ?
C56 N53 1.322(9) . ?
C56 H56 0.9500 . ?
C57 C58 1.341(11) . ?
C57 N56 1.359(9) . ?
C57 H57 0.9500 . ?
C58 C59 1.408(11) . ?
C58 H58 0.9500 . ?
C59 N55 1.283(9) . ?
C59 H59 0.9500 . ?
C61 C62 1.337(13) . ?
C61 N62 1.337(10) . ?
C61 H61 0.9500 . ?
C62 C63 1.366(15) . ?
C62 H62 0.9500 . ?
C63 N61 1.341(13) . ?
C63 H63 0.9500 . ?
C64 C65 1.322(13) . ?
C64 N64 1.340(10) . ?
C64 H64 0.9500 . ?
C65 C66 1.411(15) . ?
C65 H65 0.9500 . ?
C66 N63 1.315(13) . ?
C66 H66 0.9500 . ?
C67 N66 1.277(13) . ?
C67 C68 1.369(18) . ?
C67 H67 0.9500 . ?
C68 C69 1.283(17) . ?
C68 H68 0.9500 . ?
C69 N65 1.288(15) . ?
C69 H69 0.9500 . ?
C71 O1 1.400(8) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 O1 1.460(8) . ?
C72 C101 1.524(10) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 O2 1.431(8) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 O2 1.432(8) . ?
C74 C102 1.500(10) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 O3 1.396(9) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 O3 1.444(9) . ?
C76 C103 1.473(10) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 O4 1.426(7) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 O4 1.437(7) . ?
C78 C104 1.527(9) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 O5 1.401(7) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 O5 1.462(7) . ?
C80 C105 1.496(9) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 O6 1.344(9) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 O6 1.464(8) . ?
C82 C106 1.503(10) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C101 C102 1.365(10) . ?
C101 C106 1.403(10) . ?
C102 C103 1.412(10) . ?
C103 C104 1.370(10) . ?
C104 C105 1.408(10) . ?
C105 C106 1.407(9) . ?
N11 N12 1.343(7) . ?
N13 N14 1.376(8) . ?
N15 N16 1.321(8) . ?
N21 N22 1.356(8) . ?
N21 Ag3 2.307(6) 4 ?
N23 N24 1.378(8) . ?
N23 Ag3 2.308(7) 4 ?
N25 N26 1.354(8) . ?
N31 N32 1.371(12) . ?
N33 N34 1.375(10) . ?
N35 N36 1.396(11) . ?
N41 N42 1.337(7) . ?
N43 N44 1.370(7) . ?
N45 N46 1.372(8) . ?
N51 N52 1.365(7) . ?
N51 Ag1 2.329(5) 2 ?
N53 N54 1.372(7) . ?
N53 Ag1 2.300(6) 2 ?
N55 N56 1.369(8) . ?
N61 N62 1.351(9) . ?
N63 N64 1.357(10) . ?
N65 N66 1.343(10) . ?
N71 C111 1.184(9) . ?
N71 C111 1.184(9) 2 ?
C111 C112 1.511(14) . ?
C112 H11A 0.9800 . ?
C112 H11B 0.9800 . ?
C112 H11C 0.9800 . ?
N81 C121 1.167(14) . ?
C121 C122 1.507(16) . ?
C122 H12A 0.9800 . ?
C122 H12B 0.9800 . ?
C122 H12C 0.9800 . ?
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
N12 C11 C12 C13 1.1(9) . . . . ?
C11 C12 C13 N11 -1.9(9) . . . . ?
N14 C14 C15 C16 0.1(8) . . . . ?
C14 C15 C16 N13 -0.7(9) . . . . ?
N16 C17 C18 C19 -2.6(10) . . . . ?
C17 C18 C19 N15 0.2(11) . . . . ?
N22 C21 C22 C23 -1.0(11) . . . . ?
C21 C22 C23 N21 1.9(12) . . . . ?
N24 C24 C25 C26 1.2(9) . . . . ?
C24 C25 C26 N23 -0.5(10) . . . . ?
N26 C27 C28 C29 0.8(9) . . . . ?
C27 C28 C29 N25 -2.0(10) . . . . ?
N32 C31 C32 C33 -2.9(15) . . . . ?
C31 C32 C33 N31 1.4(16) . . . . ?
N34 C34 C35 C36 1.1(13) . . . . ?
C34 C35 C36 N33 -1.0(14) . . . . ?
N36 C37 C38 C39 0.0(13) . . . . ?
C37 C38 C39 N35 -1.3(14) . . . . ?
N42 C41 C42 C43 -0.5(10) . . . . ?
C41 C42 C43 N41 0.3(10) . . . . ?
N44 C44 C45 C46 -0.1(8) . . . . ?
C44 C45 C46 N43 0.2(9) . . . . ?
N46 C47 C48 C49 -0.5(10) . . . . ?
C47 C48 C49 N45 1.1(10) . . . . ?
N52 C51 C52 C53 -1.6(8) . . . . ?
C51 C52 C53 N51 1.4(9) . . . . ?
N54 C54 C55 C56 -0.6(9) . . . . ?
C54 C55 C56 N53 0.4(10) . . . . ?
N56 C57 C58 C59 -0.3(9) . . . . ?
C57 C58 C59 N55 -0.4(10) . . . . ?
N62 C61 C62 C63 1.2(11) . . . . ?
C61 C62 C63 N61 -0.4(13) . . . . ?
N64 C64 C65 C66 -0.3(14) . . . . ?
C64 C65 C66 N63 0.5(15) . . . . ?
N66 C67 C68 C69 2.1(18) . . . . ?
C67 C68 C69 N65 -2.4(19) . . . . ?
N14 C1 C71 O1 -66.1(7) . . . . ?
N12 C1 C71 O1 171.0(6) . . . . ?
N16 C1 C71 O1 53.9(8) . . . . ?
N24 C2 C73 O2 -56.8(8) . . . . ?
N26 C2 C73 O2 64.1(8) . . . . ?
N22 C2 C73 O2 -179.1(6) . . . . ?
N32 C3 C75 O3 170.6(8) . . . . ?
N34 C3 C75 O3 -66.8(10) . . . . ?
N36 C3 C75 O3 50.7(11) . . . . ?
N46 C4 C77 O4 59.0(7) . . . . ?
N44 C4 C77 O4 -63.2(7) . . . . ?
N42 C4 C77 O4 176.8(6) . . . . ?
N54 C5 C79 O5 -68.5(8) . . . . ?
N56 C5 C79 O5 51.0(7) . . . . ?
N52 C5 C79 O5 170.6(6) . . . . ?
N62 C6 C81 O6 175.8(6) . . . . ?
N64 C6 C81 O6 -61.3(9) . . . . ?
N66 C6 C81 O6 58.5(9) . . . . ?
O1 C72 C101 C102 94.1(8) . . . . ?
O1 C72 C101 C106 -86.6(7) . . . . ?
C106 C101 C102 C103 -5.1(10) . . . . ?
C72 C101 C102 C103 174.3(6) . . . . ?
C106 C101 C102 C74 170.5(6) . . . . ?
C72 C101 C102 C74 -10.1(10) . . . . ?
O2 C74 C102 C101 98.3(8) . . . . ?
O2 C74 C102 C103 -86.2(9) . . . . ?
C101 C102 C103 C104 5.5(10) . . . . ?
C74 C102 C103 C104 -170.0(6) . . . . ?
C101 C102 C103 C76 -175.7(7) . . . . ?
C74 C102 C103 C76 8.8(10) . . . . ?
O3 C76 C103 C104 91.7(8) . . . . ?
O3 C76 C103 C102 -87.1(8) . . . . ?
C102 C103 C104 C105 -1.5(10) . . . . ?
C76 C103 C104 C105 179.7(6) . . . . ?
C102 C103 C104 C78 176.3(6) . . . . ?
C76 C103 C104 C78 -2.5(10) . . . . ?
O4 C78 C104 C103 107.4(8) . . . . ?
O4 C78 C104 C105 -74.6(7) . . . . ?
C103 C104 C105 C106 -2.8(10) . . . . ?
C78 C104 C105 C106 179.2(5) . . . . ?
C103 C104 C105 C80 177.9(6) . . . . ?
C78 C104 C105 C80 -0.1(9) . . . . ?
O5 C80 C105 C106 91.2(7) . . . . ?
O5 C80 C105 C104 -89.4(7) . . . . ?
C102 C101 C106 C105 0.7(10) . . . . ?
C72 C101 C106 C105 -178.7(5) . . . . ?
C102 C101 C106 C82 -178.4(6) . . . . ?
C72 C101 C106 C82 2.2(9) . . . . ?
C104 C105 C106 C101 3.3(9) . . . . ?
C80 C105 C106 C101 -177.4(6) . . . . ?
C104 C105 C106 C82 -177.7(6) . . . . ?
C80 C105 C106 C82 1.6(9) . . . . ?
O6 C82 C106 C101 -88.8(7) . . . . ?
O6 C82 C106 C105 92.1(6) . . . . ?
C12 C13 N11 N12 1.9(8) . . . . ?
C12 C13 N11 Ag1 -157.2(5) . . . . ?
N53 Ag1 N11 C13 -97.4(7) 2 . . . ?
N13 Ag1 N11 C13 128.7(7) . . . . ?
N51 Ag1 N11 C13 7.7(7) 2 . . . ?
N53 Ag1 N11 N12 106.9(5) 2 . . . ?
N13 Ag1 N11 N12 -27.0(5) . . . . ?
N51 Ag1 N11 N12 -148.0(5) 2 . . . ?
C13 N11 N12 C11 -1.2(7) . . . . ?
Ag1 N11 N12 C11 159.9(5) . . . . ?
C13 N11 N12 C1 -176.8(6) . . . . ?
Ag1 N11 N12 C1 -15.7(8) . . . . ?
C12 C11 N12 N11 0.0(8) . . . . ?
C12 C11 N12 C1 175.1(7) . . . . ?
N14 C1 N12 N11 70.1(8) . . . . ?
N16 C1 N12 N11 -48.3(8) . . . . ?
C71 C1 N12 N11 -167.0(6) . . . . ?
N14 C1 N12 C11 -104.5(8) . . . . ?
N16 C1 N12 C11 137.0(7) . . . . ?
C71 C1 N12 C11 18.4(10) . . . . ?
C15 C16 N13 N14 1.0(8) . . . . ?
C15 C16 N13 Ag1 176.3(4) . . . . ?
N11 Ag1 N13 C16 -140.2(7) . . . . ?
N53 Ag1 N13 C16 82.3(7) 2 . . . ?
N51 Ag1 N13 C16 -25.1(7) 2 . . . ?
N11 Ag1 N13 N14 34.6(4) . . . . ?
N53 Ag1 N13 N14 -102.9(5) 2 . . . ?
N51 Ag1 N13 N14 149.7(4) 2 . . . ?
C15 C14 N14 N13 0.5(8) . . . . ?
C15 C14 N14 C1 -176.5(6) . . . . ?
C16 N13 N14 C14 -0.9(7) . . . . ?
Ag1 N13 N14 C14 -176.9(4) . . . . ?
C16 N13 N14 C1 176.4(6) . . . . ?
Ag1 N13 N14 C1 0.3(7) . . . . ?
N12 C1 N14 C14 116.6(7) . . . . ?
N16 C1 N14 C14 -125.8(7) . . . . ?
C71 C1 N14 C14 -5.3(9) . . . . ?
N12 C1 N14 N13 -60.1(7) . . . . ?
N16 C1 N14 N13 57.5(7) . . . . ?
C71 C1 N14 N13 178.1(5) . . . . ?
C18 C19 N15 N16 2.3(9) . . . . ?
C19 N15 N16 C17 -4.2(9) . . . . ?
C19 N15 N16 C1 -166.5(6) . . . . ?
C18 C17 N16 N15 4.4(9) . . . . ?
C18 C17 N16 C1 165.5(7) . . . . ?
N14 C1 N16 N15 -175.5(6) . . . . ?
N12 C1 N16 N15 -55.5(8) . . . . ?
C71 C1 N16 N15 63.0(9) . . . . ?
N14 C1 N16 C17 24.2(9) . . . . ?
N12 C1 N16 C17 144.3(7) . . . . ?
C71 C1 N16 C17 -97.3(9) . . . . ?
C22 C23 N21 N22 -2.0(10) . . . . ?
C22 C23 N21 Ag3 -168.4(6) . . . 4 ?
C22 C21 N22 N21 -0.2(11) . . . . ?
C22 C21 N22 C2 -179.9(8) . . . . ?
C23 N21 N22 C21 1.4(9) . . . . ?
Ag3 N21 N22 C21 169.0(6) 4 . . . ?
C23 N21 N22 C2 -178.9(7) . . . . ?
Ag3 N21 N22 C2 -11.2(9) 4 . . . ?
N24 C2 N22 C21 -113.6(9) . . . . ?
N26 C2 N22 C21 127.6(9) . . . . ?
C73 C2 N22 C21 8.9(12) . . . . ?
N24 C2 N22 N21 66.8(9) . . . . ?
N26 C2 N22 N21 -52.1(8) . . . . ?
C73 C2 N22 N21 -170.8(6) . . . . ?
C25 C26 N23 N24 -0.5(9) . . . . ?
C25 C26 N23 Ag3 155.9(6) . . . 4 ?
C25 C24 N24 N23 -1.6(9) . . . . ?
C25 C24 N24 C2 -172.7(7) . . . . ?
C26 N23 N24 C24 1.3(8) . . . . ?
Ag3 N23 N24 C24 -157.2(5) 4 . . . ?
C26 N23 N24 C2 173.3(6) . . . . ?
Ag3 N23 N24 C2 14.9(8) 4 . . . ?
N26 C2 N24 C24 -140.8(7) . . . . ?
N22 C2 N24 C24 102.1(8) . . . . ?
C73 C2 N24 C24 -19.8(10) . . . . ?
N26 C2 N24 N23 48.7(8) . . . . ?
N22 C2 N24 N23 -68.3(8) . . . . ?
C73 C2 N24 N23 169.8(6) . . . . ?
C28 C29 N25 N26 2.3(9) . . . . ?
C29 N25 N26 C27 -1.7(8) . . . . ?
C29 N25 N26 C2 -174.9(6) . . . . ?
C28 C27 N26 N25 0.5(9) . . . . ?
C28 C27 N26 C2 172.6(7) . . . . ?
N24 C2 N26 N25 -162.7(6) . . . . ?
N22 C2 N26 N25 -43.3(8) . . . . ?
C73 C2 N26 N25 75.5(8) . . . . ?
N24 C2 N26 C27 25.7(10) . . . . ?
N22 C2 N26 C27 145.1(7) . . . . ?
C73 C2 N26 C27 -96.0(9) . . . . ?
C32 C33 N31 N32 0.6(15) . . . . ?
C32 C33 N31 Ag2 -150.5(10) . . . . ?
N31 Ag2 N31 C33 -0.5(11) 2 . . . ?
N33 Ag2 N31 C33 -100.6(12) 2 . . . ?
N33 Ag2 N31 C33 125.5(12) . . . . ?
N31 Ag2 N31 N32 -146.7(10) 2 . . . ?
N33 Ag2 N31 N32 113.2(9) 2 . . . ?
N33 Ag2 N31 N32 -20.7(9) . . . . ?
C32 C31 N32 N31 3.6(14) . . . . ?
C32 C31 N32 C3 177.4(12) . . . . ?
C33 N31 N32 C31 -2.5(13) . . . . ?
Ag2 N31 N32 C31 150.1(8) . . . . ?
C33 N31 N32 C3 -177.2(10) . . . . ?
Ag2 N31 N32 C3 -24.7(13) . . . . ?
N34 C3 N32 C31 -96.0(13) . . . . ?
N36 C3 N32 C31 143.8(11) . . . . ?
C75 C3 N32 C31 24.8(16) . . . . ?
N34 C3 N32 N31 77.5(12) . . . . ?
N36 C3 N32 N31 -42.7(13) . . . . ?
C75 C3 N32 N31 -161.6(9) . . . . ?
C35 C36 N33 N34 0.4(13) . . . . ?
C35 C36 N33 Ag2 174.9(7) . . . . ?
N31 Ag2 N33 C36 -141.4(11) . . . . ?
N31 Ag2 N33 C36 -20.9(13) 2 . . . ?
N33 Ag2 N33 C36 89.1(11) 2 . . . ?
N31 Ag2 N33 N34 32.3(7) . . . . ?
N31 Ag2 N33 N34 152.9(7) 2 . . . ?
N33 Ag2 N33 N34 -97.2(7) 2 . . . ?
C35 C34 N34 N33 -0.9(12) . . . . ?
C35 C34 N34 C3 -174.4(10) . . . . ?
C36 N33 N34 C34 0.3(12) . . . . ?
Ag2 N33 N34 C34 -175.0(7) . . . . ?
C36 N33 N34 C3 174.6(9) . . . . ?
Ag2 N33 N34 C3 -0.6(12) . . . . ?
N32 C3 N34 C34 111.1(12) . . . . ?
N36 C3 N34 C34 -127.4(10) . . . . ?
C75 C3 N34 C34 -9.6(15) . . . . ?
N32 C3 N34 N33 -61.9(12) . . . . ?
N36 C3 N34 N33 59.5(12) . . . . ?
C75 C3 N34 N33 177.4(8) . . . . ?
C38 C39 N35 N36 1.9(12) . . . . ?
C38 C37 N36 N35 1.3(12) . . . . ?
C38 C37 N36 C3 169.1(10) . . . . ?
C39 N35 N36 C37 -2.0(11) . . . . ?
C39 N35 N36 C3 -170.7(8) . . . . ?
N32 C3 N36 C37 143.5(10) . . . . ?
N34 C3 N36 C37 20.9(13) . . . . ?
C75 C3 N36 C37 -97.4(12) . . . . ?
N32 C3 N36 N35 -49.4(12) . . . . ?
N34 C3 N36 N35 -172.0(8) . . . . ?
C75 C3 N36 N35 69.8(12) . . . . ?
C42 C43 N41 N42 0.1(9) . . . . ?
C42 C43 N41 Ag3 -151.7(6) . . . . ?
N43 Ag3 N41 C43 135.4(7) . . . . ?
N21 Ag3 N41 C43 9.6(8) 4_545 . . . ?
N23 Ag3 N41 C43 -86.5(7) 4_545 . . . ?
N43 Ag3 N41 N42 -12.7(5) . . . . ?
N21 Ag3 N41 N42 -138.6(5) 4_545 . . . ?
N23 Ag3 N41 N42 125.3(5) 4_545 . . . ?
C43 N41 N42 C41 -0.4(8) . . . . ?
Ag3 N41 N42 C41 153.5(5) . . . . ?
C43 N41 N42 C4 176.6(6) . . . . ?
Ag3 N41 N42 C4 -29.5(8) . . . . ?
C42 C41 N42 N41 0.6(10) . . . . ?
C42 C41 N42 C4 -176.1(7) . . . . ?
N46 C4 N42 N41 -43.4(8) . . . . ?
N44 C4 N42 N41 75.5(8) . . . . ?
C77 C4 N42 N41 -163.8(6) . . . . ?
N46 C4 N42 C41 133.0(8) . . . . ?
N44 C4 N42 C41 -108.1(8) . . . . ?
C77 C4 N42 C41 12.5(10) . . . . ?
C45 C46 N43 N44 -0.3(8) . . . . ?
C45 C46 N43 Ag3 168.8(5) . . . . ?
N21 Ag3 N43 C46 -20.6(7) 4_545 . . . ?
N23 Ag3 N43 C46 94.2(7) 4_545 . . . ?
N41 Ag3 N43 C46 -144.8(6) . . . . ?
N21 Ag3 N43 N44 146.5(5) 4_545 . . . ?
N23 Ag3 N43 N44 -98.7(5) 4_545 . . . ?
N41 Ag3 N43 N44 22.3(5) . . . . ?
C45 C44 N44 N43 -0.1(8) . . . . ?
C45 C44 N44 C4 179.4(6) . . . . ?
C46 N43 N44 C44 0.2(7) . . . . ?
Ag3 N43 N44 C44 -169.8(4) . . . . ?
C46 N43 N44 C4 -179.3(6) . . . . ?
Ag3 N43 N44 C4 10.6(8) . . . . ?
N46 C4 N44 C44 -124.4(7) . . . . ?
N42 C4 N44 C44 117.3(7) . . . . ?
C77 C4 N44 C44 -0.3(9) . . . . ?
N46 C4 N44 N43 55.1(7) . . . . ?
N42 C4 N44 N43 -63.2(8) . . . . ?
C77 C4 N44 N43 179.2(5) . . . . ?
C48 C49 N45 N46 -1.3(8) . . . . ?
C48 C47 N46 N45 -0.4(8) . . . . ?
C48 C47 N46 C4 -176.0(6) . . . . ?
C49 N45 N46 C47 1.1(8) . . . . ?
C49 N45 N46 C4 176.0(6) . . . . ?
N44 C4 N46 C47 -167.4(5) . . . . ?
N42 C4 N46 C47 -47.7(7) . . . . ?
C77 C4 N46 C47 69.0(7) . . . . ?
N44 C4 N46 N45 18.0(9) . . . . ?
N42 C4 N46 N45 137.6(7) . . . . ?
C77 C4 N46 N45 -105.7(7) . . . . ?
C52 C53 N51 N52 -0.7(8) . . . . ?
C52 C53 N51 Ag1 -144.2(6) . . . 2 ?
C52 C51 N52 N51 1.3(8) . . . . ?
C52 C51 N52 C5 174.1(7) . . . . ?
C53 N51 N52 C51 -0.4(8) . . . . ?
Ag1 N51 N52 C51 145.9(5) 2 . . . ?
C53 N51 N52 C5 -174.0(6) . . . . ?
Ag1 N51 N52 C5 -27.7(8) 2 . . . ?
N54 C5 N52 C51 -94.5(8) . . . . ?
N56 C5 N52 C51 144.6(7) . . . . ?
C79 C5 N52 C51 26.5(10) . . . . ?
N54 C5 N52 N51 77.9(8) . . . . ?
N56 C5 N52 N51 -43.0(8) . . . . ?
C79 C5 N52 N51 -161.1(6) . . . . ?
C55 C56 N53 N54 0.0(9) . . . . ?
C55 C56 N53 Ag1 165.3(5) . . . 2 ?
C55 C54 N54 N53 0.6(8) . . . . ?
C55 C54 N54 C5 -171.0(7) . . . . ?
C56 N53 N54 C54 -0.3(8) . . . . ?
Ag1 N53 N54 C54 -167.4(5) 2 . . . ?
C56 N53 N54 C5 172.2(7) . . . . ?
Ag1 N53 N54 C5 5.1(9) 2 . . . ?
N56 C5 N54 C54 -131.1(7) . . . . ?
N52 C5 N54 C54 107.3(8) . . . . ?
C79 C5 N54 C54 -12.2(10) . . . . ?
N56 C5 N54 N53 58.0(7) . . . . ?
N52 C5 N54 N53 -63.6(9) . . . . ?
C79 C5 N54 N53 176.9(6) . . . . ?
C58 C59 N55 N56 0.9(8) . . . . ?
C58 C57 N56 N55 0.8(8) . . . . ?
C58 C57 N56 C5 165.0(7) . . . . ?
C59 N55 N56 C57 -1.0(8) . . . . ?
C59 N55 N56 C5 -167.3(6) . . . . ?
N54 C5 N56 C57 20.5(9) . . . . ?
N52 C5 N56 C57 142.0(7) . . . . ?
C79 C5 N56 C57 -99.9(8) . . . . ?
N54 C5 N56 N55 -176.3(5) . . . . ?
N52 C5 N56 N55 -54.8(7) . . . . ?
C79 C5 N56 N55 63.3(7) . . . . ?
C62 C63 N61 N62 -0.6(11) . . . . ?
C62 C61 N62 N61 -1.7(9) . . . . ?
C62 C61 N62 C6 176.2(7) . . . . ?
C63 N61 N62 C61 1.4(9) . . . . ?
C63 N61 N62 C6 -176.6(8) . . . . ?
N64 C6 N62 C61 58.5(10) . . . . ?
N66 C6 N62 C61 -61.4(10) . . . . ?
C81 C6 N62 C61 -177.3(7) . . . . ?
N64 C6 N62 N61 -123.8(8) . . . . ?
N66 C6 N62 N61 116.3(8) . . . . ?
C81 C6 N62 N61 0.4(9) . . . . ?
C65 C66 N63 N64 -0.4(15) . . . . ?
C65 C64 N64 N63 0.0(13) . . . . ?
C65 C64 N64 C6 -174.4(10) . . . . ?
C66 N63 N64 C64 0.3(13) . . . . ?
C66 N63 N64 C6 175.5(9) . . . . ?
N62 C6 N64 C64 115.1(11) . . . . ?
N66 C6 N64 C64 -124.5(10) . . . . ?
C81 C6 N64 C64 -5.4(15) . . . . ?
N62 C6 N64 N63 -58.9(11) . . . . ?
N66 C6 N64 N63 61.5(11) . . . . ?
C81 C6 N64 N63 -179.5(9) . . . . ?
C68 C69 N65 N66 1.7(17) . . . . ?
C68 C67 N66 N65 -1.1(14) . . . . ?
C68 C67 N66 C6 174.0(10) . . . . ?
C69 N65 N66 C67 -0.3(12) . . . . ?
C69 N65 N66 C6 -176.2(9) . . . . ?
N62 C6 N66 C67 127.4(11) . . . . ?
N64 C6 N66 C67 5.8(14) . . . . ?
C81 C6 N66 C67 -116.9(11) . . . . ?
N62 C6 N66 N65 -58.0(10) . . . . ?
N64 C6 N66 N65 -179.5(8) . . . . ?
C81 C6 N66 N65 57.8(10) . . . . ?
C1 C71 O1 C72 -170.1(6) . . . . ?
C101 C72 O1 C71 162.7(6) . . . . ?
C2 C73 O2 C74 -158.0(6) . . . . ?
C102 C74 O2 C73 -174.9(7) . . . . ?
C3 C75 O3 C76 -165.6(7) . . . . ?
C103 C76 O3 C75 163.8(7) . . . . ?
C4 C77 O4 C78 -158.7(6) . . . . ?
C104 C78 O4 C77 178.9(6) . . . . ?
C5 C79 O5 C80 -166.9(6) . . . . ?
C105 C80 O5 C79 163.3(6) . . . . ?
C6 C81 O6 C82 -168.8(5) . . . . ?
C106 C82 O6 C81 171.0(6) . . . . ?
C111 N71 C111 C112 146(47) 2 . . . ?
