#------------------------------------------------------------------------------
#$Date: 2021-12-16 13:43:25 +0200 (Thu, 16 Dec 2021) $
#$Revision: 271475 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/46/4304643.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_4304643
loop_
_publ_author_name
'Manoja K. Samantaray'
'Keliang Pang'
'Mobin M. Shaikh'
'Prasenjit Ghosh'
_publ_section_title
;
From Large 12-Membered Macrometallacycles to Ionic (NHC)2M+Cl- Type
Complexes of Gold and Silver by Modulation of the N-Substituent of
Amido-Functionalized N-Heterocyclic Carbene (NHC) Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4153
_journal_page_last               4165
_journal_paper_doi               10.1021/ic702186g
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C43.33333 H62 Ag2 N6.66667 O2'
_chemical_formula_weight         924.09
_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                103.069(9)
_cell_angle_beta                 101.016(15)
_cell_angle_gamma                104.51(2)
_cell_formula_units_Z            3
_cell_length_a                   10.443(4)
_cell_length_b                   15.018(2)
_cell_length_c                   23.5459(17)
_cell_measurement_reflns_used    6145
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.9990
_cell_measurement_theta_min      2.9114
_cell_volume                     3360.1(15)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0846
_diffrn_reflns_av_sigmaI/netI    0.2283
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            47062
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    0.915
_exptl_absorpt_correction_T_max  0.9222
_exptl_absorpt_correction_T_min  0.8310
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.29.9 (release 23-03-2006 CrysAlis171 .NET)
(compiled Mar 23 2006,23:39:28)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1436
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.373
_refine_diff_density_min         -0.454
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.817
_refine_ls_hydrogen_treatment    RIDING
_refine_ls_matrix_type           full
_refine_ls_number_parameters     752
_refine_ls_number_reflns         19513
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.817
_refine_ls_R_factor_all          0.1801
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0531
_refine_ls_wR_factor_ref         0.0600
_reflns_number_gt                6019
_reflns_number_total             19513
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702186g-file006.cif
_cod_data_source_block           pg050
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

2021-12-16
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C130 H186 Ag6 N20 O6'
_cod_original_formula_weight         2772.26
_cod_original_formula_units_Z            1
_cod_database_code               4304643
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 0.30976(3) 0.29611(2) 0.173671(14) 0.05380(10) Uani 1 1 d . . .
Ag2 Ag 0.57255(3) 0.39752(2) 0.112935(14) 0.05371(10) Uani 1 1 d . . .
Ag3 Ag 0.61752(4) 0.05474(2) 0.456976(14) 0.06137(11) Uani 1 1 d . . .
O1 O 0.4897(3) 0.65649(18) 0.18819(12) 0.0601(8) Uani 1 1 d . . .
O2 O 0.3442(3) 0.03017(18) 0.07478(12) 0.0747(10) Uani 1 1 d . . .
O3 O 0.7644(3) 0.28756(19) 0.61864(12) 0.0755(10) Uani 1 1 d . . .
N1 N 0.2383(3) 0.4496(2) 0.26392(15) 0.0512(9) Uani 1 1 d . . .
N2 N 0.2722(3) 0.4930(2) 0.18696(14) 0.0461(9) Uani 1 1 d . . .
N3 N 0.5741(4) 0.5345(2) 0.15436(13) 0.0421(9) Uani 1 1 d . . .
N4 N 0.7099(4) 0.2573(2) 0.05157(15) 0.0550(10) Uani 1 1 d . . .
N5 N 0.4965(4) 0.1899(2) 0.03802(13) 0.0470(9) Uani 1 1 d . . .
N6 N 0.3165(3) 0.1578(2) 0.13993(15) 0.0474(9) Uani 1 1 d . . .
N7 N 0.6193(5) -0.1051(3) 0.34667(17) 0.0757(13) Uani 1 1 d . . .
N8 N 0.4220(5) -0.1242(3) 0.36358(16) 0.0666(11) Uani 1 1 d . . .
N9 N 0.6816(3) 0.1857(2) 0.52162(15) 0.0490(9) Uani 1 1 d . . .
C1 C 0.2766(4) 0.4209(3) 0.21200(18) 0.0450(11) Uani 1 1 d . . .
C2 C 0.2101(4) 0.5349(3) 0.26887(18) 0.0554(12) Uani 1 1 d . . .
H2 H 0.1804 0.5684 0.3006 0.066 Uiso 1 1 calc R . .
C3 C 0.2322(4) 0.5613(3) 0.2211(2) 0.0606(13) Uani 1 1 d . . .
H3 H 0.2219 0.6180 0.2121 0.073 Uiso 1 1 calc R . .
C4 C 0.2238(5) 0.3944(3) 0.3087(2) 0.0655(14) Uani 1 1 d . . .
C5 C 0.1019(5) 0.3063(3) 0.28172(19) 0.115(2) Uani 1 1 d . . .
H5A H 0.0179 0.3250 0.2766 0.173 Uiso 1 1 calc R . .
H5B H 0.1001 0.2651 0.3086 0.173 Uiso 1 1 calc R . .
H5C H 0.1078 0.2712 0.2423 0.173 Uiso 1 1 calc R . .
C6 C 0.3482(6) 0.3617(4) 0.3235(2) 0.120(2) Uani 1 1 d . . .
H6A H 0.3508 0.3146 0.2877 0.179 Uiso 1 1 calc R . .
H6B H 0.3434 0.3322 0.3564 0.179 Uiso 1 1 calc R . .
H6C H 0.4312 0.4171 0.3359 0.179 Uiso 1 1 calc R . .
C7 C 0.2087(6) 0.4543(3) 0.36529(19) 0.129(2) Uani 1 1 d . . .
H7A H 0.2833 0.5153 0.3799 0.193 Uiso 1 1 calc R . .
H7B H 0.2123 0.4200 0.3961 0.193 Uiso 1 1 calc R . .
H7C H 0.1205 0.4672 0.3571 0.193 Uiso 1 1 calc R . .
C8 C 0.3302(4) 0.5046(2) 0.13696(15) 0.0472(11) Uani 1 1 d . . .
H8A H 0.2747 0.5315 0.1105 0.057 Uiso 1 1 calc R . .
H8B H 0.3304 0.4416 0.1127 0.057 Uiso 1 1 calc R . .
C9 C 0.4764(5) 0.5724(3) 0.16230(17) 0.0467(11) Uani 1 1 d . . .
C10 C 0.7119(4) 0.5978(3) 0.17872(18) 0.0445(11) Uani 1 1 d . . .
C11 C 0.7686(5) 0.6571(3) 0.1453(2) 0.0542(12) Uani 1 1 d . . .
C12 C 0.6859(5) 0.6595(3) 0.0863(2) 0.0758(15) Uani 1 1 d . . .
H12 H 0.5997 0.6041 0.0737 0.091 Uiso 1 1 calc R . .
C13 C 0.6445(5) 0.7495(4) 0.0941(2) 0.120(2) Uani 1 1 d . . .
H13A H 0.6132 0.7618 0.1310 0.180 Uiso 1 1 calc R . .
H13B H 0.5700 0.7416 0.0592 0.180 Uiso 1 1 calc R . .
H13C H 0.7232 0.8038 0.0972 0.180 Uiso 1 1 calc R . .
C14 C 0.7562(6) 0.6475(3) 0.0362(2) 0.128(2) Uani 1 1 d . . .
H14A H 0.8462 0.6964 0.0489 0.191 Uiso 1 1 calc R . .
H14B H 0.7003 0.6548 0.0001 0.191 Uiso 1 1 calc R . .
H14C H 0.7678 0.5835 0.0270 0.191 Uiso 1 1 calc R . .
C15 C 0.9029(5) 0.7133(3) 0.1685(2) 0.0715(15) Uani 1 1 d . . .
H15 H 0.9436 0.7532 0.1466 0.086 Uiso 1 1 calc R . .
C16 C 0.9787(5) 0.7131(3) 0.2218(3) 0.0787(16) Uani 1 1 d . . .
H16 H 1.0707 0.7540 0.2372 0.094 Uiso 1 1 calc R . .
C17 C 0.9251(5) 0.6551(3) 0.25392(19) 0.0694(14) Uani 1 1 d . . .
H17 H 0.9799 0.6558 0.2913 0.083 Uiso 1 1 calc R . .
C18 C 0.7907(5) 0.5949(3) 0.23228(19) 0.0502(11) Uani 1 1 d . . .
C19 C 0.7314(5) 0.5290(3) 0.26741(19) 0.0762(15) Uani 1 1 d . . .
H19 H 0.6575 0.4732 0.2372 0.091 Uiso 1 1 calc R . .
C20 C 0.8310(6) 0.4879(3) 0.29942(19) 0.121(2) Uani 1 1 d . . .
H20A H 0.8786 0.4606 0.2713 0.182 Uiso 1 1 calc R . .
H20B H 0.7812 0.4374 0.3143 0.182 Uiso 1 1 calc R . .
H20C H 0.8980 0.5388 0.3335 0.182 Uiso 1 1 calc R . .
C21 C 0.6628(5) 0.5786(3) 0.3096(2) 0.0990(18) Uani 1 1 d . . .
H21A H 0.7319 0.6331 0.3408 0.148 Uiso 1 1 calc R . .
H21B H 0.6160 0.5332 0.3287 0.148 Uiso 1 1 calc R . .
H21C H 0.5958 0.6017 0.2868 0.148 Uiso 1 1 calc R . .
C22 C 0.5968(5) 0.2723(3) 0.06725(17) 0.0452(11) Uani 1 1 d . . .
C23 C 0.5448(5) 0.1241(3) 0.00511(17) 0.0594(13) Uani 1 1 d . . .
H23 H 0.4933 0.0606 -0.0189 0.071 Uiso 1 1 calc R . .
C24 C 0.6760(5) 0.1659(3) 0.01328(19) 0.0603(13) Uani 1 1 d . . .
H24 H 0.7369 0.1381 -0.0042 0.072 Uiso 1 1 calc R . .
C25 C 0.8511(5) 0.3269(4) 0.0746(2) 0.0768(15) Uani 1 1 d . . .
C26 C 0.8892(4) 0.3547(3) 0.1428(2) 0.124(2) Uani 1 1 d . . .
H26A H 0.8166 0.3753 0.1575 0.185 Uiso 1 1 calc R . .
H26B H 0.9755 0.4076 0.1589 0.185 Uiso 1 1 calc R . .
H26C H 0.9003 0.2994 0.1564 0.185 Uiso 1 1 calc R . .
C27 C 0.9522(5) 0.2832(3) 0.0510(2) 0.1091(19) Uani 1 1 d . . .
H27A H 0.9596 0.2303 0.0679 0.164 Uiso 1 1 calc R . .
H27B H 1.0421 0.3322 0.0628 0.164 Uiso 1 1 calc R . .
H27C H 0.9209 0.2588 0.0068 0.164 Uiso 1 1 calc R . .
C28 C 0.8488(5) 0.4155(3) 0.0535(2) 0.117(2) Uani 1 1 d . . .
H28A H 0.8109 0.3960 0.0096 0.175 Uiso 1 1 calc R . .
H28B H 0.9424 0.4593 0.0642 0.175 Uiso 1 1 calc R . .
H28C H 0.7918 0.4481 0.0733 0.175 Uiso 1 1 calc R . .
C29 C 0.3592(4) 0.1713(3) 0.04519(16) 0.0540(12) Uani 1 1 d . . .
H29A H 0.2928 0.1357 0.0055 0.065 Uiso 1 1 calc R . .
H29B H 0.3413 0.2330 0.0599 0.065 Uiso 1 1 calc R . .
C30 C 0.3387(4) 0.1129(3) 0.0897(2) 0.0530(12) Uani 1 1 d . . .
C31 C 0.2900(6) 0.1035(3) 0.1809(2) 0.0546(12) Uani 1 1 d . . .
C32 C 0.3954(7) 0.1141(4) 0.2304(3) 0.0792(16) Uani 1 1 d . . .
C33 C 0.5409(7) 0.1774(5) 0.2391(3) 0.119(2) Uani 1 1 d . . .
H33 H 0.5333 0.2315 0.2219 0.143 Uiso 1 1 calc R . .
C34 C 0.6225(6) 0.2215(4) 0.3045(3) 0.169(3) Uani 1 1 d . . .
H34A H 0.5756 0.2613 0.3261 0.253 Uiso 1 1 calc R . .
H34B H 0.7141 0.2614 0.3065 0.253 Uiso 1 1 calc R . .
H34C H 0.6305 0.1704 0.3231 0.253 Uiso 1 1 calc R . .
C35 C 0.6172(6) 0.1228(5) 0.2039(3) 0.171(3) Uani 1 1 d . . .
H35A H 0.6176 0.0650 0.2164 0.257 Uiso 1 1 calc R . .
H35B H 0.7118 0.1636 0.2117 0.257 Uiso 1 1 calc R . .
H35C H 0.5720 0.1045 0.1606 0.257 Uiso 1 1 calc R . .
C36 C 0.3642(8) 0.0640(5) 0.2719(3) 0.117(2) Uani 1 1 d . . .
H36 H 0.4349 0.0677 0.3052 0.140 Uiso 1 1 calc R . .
C37 C 0.2339(10) 0.0103(5) 0.2647(3) 0.128(3) Uani 1 1 d . . .
H37 H 0.2142 -0.0214 0.2941 0.154 Uiso 1 1 calc R . .
C38 C 0.1307(7) 0.0006(4) 0.2168(3) 0.117(2) Uani 1 1 d . . .
H38 H 0.0411 -0.0394 0.2126 0.140 Uiso 1 1 calc R . .
C39 C 0.1536(6) 0.0479(3) 0.1740(2) 0.0716(15) Uani 1 1 d . . .
C40 C 0.0397(7) 0.0375(4) 0.1212(3) 0.109(2) Uani 1 1 d . . .
H40 H 0.0716 0.0908 0.1034 0.130 Uiso 1 1 calc R . .
C41 C 0.0122(6) -0.0546(4) 0.0739(2) 0.155(3) Uani 1 1 d . . .
H41A H 0.0963 -0.0567 0.0617 0.233 Uiso 1 1 calc R . .
H41B H -0.0594 -0.0592 0.0388 0.233 Uiso 1 1 calc R . .
H41C H -0.0183 -0.1086 0.0901 0.233 Uiso 1 1 calc R . .
C42 C -0.0904(6) 0.0469(4) 0.1392(3) 0.162(3) Uani 1 1 d . . .
H42A H -0.1245 -0.0044 0.1569 0.243 Uiso 1 1 calc R . .
H42B H -0.1604 0.0418 0.1033 0.243 Uiso 1 1 calc R . .
H42C H -0.0697 0.1095 0.1688 0.243 Uiso 1 1 calc R . .
C43 C 0.5527(6) -0.0675(3) 0.38536(19) 0.0642(14) Uani 1 1 d . . .
C44 C 0.4078(6) -0.1947(3) 0.3123(2) 0.0864(19) Uani 1 1 d . . .
H44 H 0.3249 -0.2428 0.2887 0.104 Uiso 1 1 calc R . .
C45 C 0.5274(7) -0.1845(3) 0.3016(2) 0.0862(19) Uani 1 1 d . . .
H45 H 0.5481 -0.2238 0.2691 0.103 Uiso 1 1 calc R . .
C46 C 0.7675(7) -0.0671(4) 0.3509(3) 0.0903(17) Uani 1 1 d . . .
C47 C 0.8480(6) -0.0641(5) 0.4112(3) 0.187(3) Uani 1 1 d . . .
H47A H 0.8033 -0.0417 0.4422 0.281 Uiso 1 1 calc R . .
H47B H 0.9409 -0.0201 0.4203 0.281 Uiso 1 1 calc R . .
H47C H 0.8526 -0.1286 0.4108 0.281 Uiso 1 1 calc R . .
C48 C 0.8046(7) -0.1312(4) 0.3037(3) 0.242(5) Uani 1 1 d . . .
H48A H 0.7634 -0.1982 0.3023 0.363 Uiso 1 1 calc R . .
H48B H 0.9046 -0.1162 0.3130 0.363 Uiso 1 1 calc R . .
H48C H 0.7706 -0.1218 0.2644 0.363 Uiso 1 1 calc R . .
C49 C 0.8036(6) 0.0289(4) 0.3440(3) 0.170(3) Uani 1 1 d . . .
H49A H 0.7376 0.0311 0.3091 0.254 Uiso 1 1 calc R . .
H49B H 0.8958 0.0457 0.3379 0.254 Uiso 1 1 calc R . .
H49C H 0.8018 0.0749 0.3806 0.254 Uiso 1 1 calc R . .
C50 C 0.6883(5) 0.1219(3) 0.60727(18) 0.0692(14) Uani 1 1 d . . .
H50A H 0.6618 0.0609 0.5746 0.083 Uiso 1 1 calc R . .
H50B H 0.7718 0.1255 0.6370 0.083 Uiso 1 1 calc R . .
C51 C 0.7175(5) 0.2063(3) 0.5812(2) 0.0589(13) Uani 1 1 d . . .
C52 C 0.6881(5) 0.2676(3) 0.49877(17) 0.0512(12) Uani 1 1 d . . .
C53 C 0.8026(5) 0.3096(3) 0.48115(18) 0.0546(12) Uani 1 1 d . . .
C54 C 0.9235(5) 0.2714(3) 0.4861(2) 0.0732(14) Uani 1 1 d . . .
H54 H 0.8877 0.2012 0.4816 0.088 Uiso 1 1 calc R . .
C55 C 1.0242(5) 0.3177(4) 0.5479(2) 0.121(2) Uani 1 1 d . . .
H55A H 1.0684 0.3855 0.5523 0.182 Uiso 1 1 calc R . .
H55B H 1.0940 0.2847 0.5520 0.182 Uiso 1 1 calc R . .
H55C H 0.9753 0.3126 0.5792 0.182 Uiso 1 1 calc R . .
C56 C 0.9951(5) 0.2818(3) 0.4368(2) 0.1061(19) Uani 1 1 d . . .
H56A H 0.9273 0.2560 0.3974 0.159 Uiso 1 1 calc R . .
H56B H 1.0619 0.2462 0.4378 0.159 Uiso 1 1 calc R . .
H56C H 1.0424 0.3498 0.4432 0.159 Uiso 1 1 calc R . .
C57 C 0.8034(5) 0.3887(3) 0.45996(19) 0.0746(16) Uani 1 1 d . . .
H57 H 0.8812 0.4186 0.4480 0.089 Uiso 1 1 calc R . .
C58 C 0.6954(7) 0.4247(3) 0.4558(2) 0.0852(18) Uani 1 1 d . . .
H58 H 0.6989 0.4795 0.4417 0.102 Uiso 1 1 calc R . .
C59 C 0.5812(5) 0.3810(3) 0.47227(19) 0.0751(15) Uani 1 1 d . . .
H59 H 0.5052 0.4052 0.4690 0.090 Uiso 1 1 calc R . .
C60 C 0.5771(5) 0.3019(3) 0.49352(18) 0.0570(12) Uani 1 1 d . . .
C61 C 0.4481(5) 0.2516(4) 0.5087(2) 0.0834(16) Uani 1 1 d . . .
H61 H 0.4736 0.2062 0.5306 0.100 Uiso 1 1 calc R . .
C62 C 0.3369(5) 0.1926(4) 0.4556(2) 0.132(2) Uani 1 1 d . . .
H62A H 0.2604 0.1573 0.4683 0.199 Uiso 1 1 calc R . .
H62B H 0.3695 0.1469 0.4299 0.199 Uiso 1 1 calc R . .
H62C H 0.3060 0.2339 0.4328 0.199 Uiso 1 1 calc R . .
C63 C 0.4032(6) 0.3178(4) 0.5508(3) 0.178(3) Uani 1 1 d . . .
H63A H 0.3858 0.3682 0.5332 0.267 Uiso 1 1 calc R . .
H63B H 0.4750 0.3471 0.5890 0.267 Uiso 1 1 calc R . .
H63C H 0.3189 0.2823 0.5585 0.267 Uiso 1 1 calc R . .
C111 C 0.3573(9) 0.8622(5) 0.1485(3) 0.214(5) Uani 1 1 d . . .
H11A H 0.3741 0.8822 0.1926 0.320 Uiso 1 1 calc R . .
H11B H 0.3212 0.9076 0.1316 0.320 Uiso 1 1 calc R . .
H11C H 0.4435 0.8611 0.1380 0.320 Uiso 1 1 calc R . .
C222 C 0.2520(16) 0.7605(9) 0.1222(6) 0.179(7) Uani 1 1 d . . .
N111 N 0.2074(18) 0.6946(7) 0.1114(7) 0.268(6) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8970 1.1020 '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
C1 Ag1 N6 170.31(14) . . ?
C22 Ag2 N3 170.84(15) . . ?
C43 Ag3 N9 173.51(15) . . ?
C1 N1 C2 111.4(3) . . ?
C1 N1 C4 125.0(4) . . ?
C2 N1 C4 123.6(4) . . ?
C1 N2 C3 111.7(3) . . ?
C1 N2 C8 122.9(3) . . ?
C3 N2 C8 124.2(3) . . ?
C9 N3 C10 116.4(3) . . ?
C9 N3 Ag2 132.9(3) . . ?
C10 N3 Ag2 110.7(2) . . ?
C22 N4 C24 109.6(4) . . ?
C22 N4 C25 125.5(4) . . ?
C24 N4 C25 124.8(4) . . ?
C22 N5 C23 111.3(4) . . ?
C22 N5 C29 123.4(4) . . ?
C23 N5 C29 125.1(4) . . ?
C30 N6 C31 116.4(3) . . ?
C30 N6 Ag1 133.1(3) . . ?
C31 N6 Ag1 110.5(2) . . ?
C43 N7 C45 109.7(5) . . ?
C43 N7 C46 125.6(4) . . ?
C45 N7 C46 124.8(5) . . ?
C43 N8 C44 110.5(4) . . ?
C43 N8 C50 126.4(4) . 2_656 ?
C44 N8 C50 122.6(5) . 2_656 ?
C51 N9 C52 114.9(3) . . ?
C51 N9 Ag3 129.7(3) . . ?
C52 N9 Ag3 115.4(3) . . ?
N2 C1 N1 102.5(3) . . ?
N2 C1 Ag1 126.3(3) . . ?
N1 C1 Ag1 130.8(3) . . ?
C3 C2 N1 106.5(4) . . ?
C3 C2 H2 126.8 . . ?
N1 C2 H2 126.8 . . ?
C2 C3 N2 107.9(4) . . ?
C2 C3 H3 126.0 . . ?
N2 C3 H3 126.0 . . ?
N1 C4 C6 109.8(4) . . ?
N1 C4 C5 109.4(4) . . ?
C6 C4 C5 107.4(4) . . ?
N1 C4 C7 110.8(4) . . ?
C6 C4 C7 109.2(4) . . ?
C5 C4 C7 110.1(4) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C9 108.5(3) . . ?
N2 C8 H8A 110.0 . . ?
C9 C8 H8A 110.0 . . ?
N2 C8 H8B 110.0 . . ?
C9 C8 H8B 110.0 . . ?
H8A C8 H8B 108.4 . . ?
O1 C9 N3 127.2(4) . . ?
O1 C9 C8 116.6(4) . . ?
N3 C9 C8 116.2(4) . . ?
C18 C10 C11 120.8(4) . . ?
C18 C10 N3 119.7(4) . . ?
C11 C10 N3 119.3(4) . . ?
C15 C11 C10 117.8(4) . . ?
C15 C11 C12 120.6(4) . . ?
C10 C11 C12 121.7(4) . . ?
C11 C12 C13 110.8(4) . . ?
C11 C12 C14 113.6(5) . . ?
C13 C12 C14 110.7(4) . . ?
C11 C12 H12 107.1 . . ?
C13 C12 H12 107.1 . . ?
C14 C12 H12 107.1 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C11 121.5(4) . . ?
C16 C15 H15 119.2 . . ?
C11 C15 H15 119.2 . . ?
C15 C16 C17 121.0(5) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C16 C17 C18 120.4(5) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C10 C18 C17 118.5(4) . . ?
C10 C18 C19 121.0(4) . . ?
C17 C18 C19 120.5(4) . . ?
C18 C19 C20 114.9(4) . . ?
C18 C19 C21 110.0(4) . . ?
C20 C19 C21 111.9(4) . . ?
C18 C19 H19 106.5 . . ?
C20 C19 H19 106.5 . . ?
C21 C19 H19 106.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N5 C22 N4 104.4(4) . . ?
N5 C22 Ag2 126.1(3) . . ?
N4 C22 Ag2 128.7(3) . . ?
C24 C23 N5 106.7(4) . . ?
C24 C23 H23 126.6 . . ?
N5 C23 H23 126.6 . . ?
C23 C24 N4 107.9(4) . . ?
C23 C24 H24 126.0 . . ?
N4 C24 H24 126.0 . . ?
N4 C25 C27 110.8(4) . . ?
N4 C25 C28 107.9(4) . . ?
C27 C25 C28 110.1(4) . . ?
N4 C25 C26 108.4(4) . . ?
C27 C25 C26 110.1(4) . . ?
C28 C25 C26 109.5(4) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N5 C29 C30 111.2(3) . . ?
N5 C29 H29A 109.4 . . ?
C30 C29 H29A 109.4 . . ?
N5 C29 H29B 109.4 . . ?
C30 C29 H29B 109.4 . . ?
H29A C29 H29B 108.0 . . ?
O2 C30 N6 127.8(4) . . ?
O2 C30 C29 117.0(4) . . ?
N6 C30 C29 115.2(4) . . ?
C32 C31 C39 121.4(5) . . ?
C32 C31 N6 119.2(5) . . ?
C39 C31 N6 119.0(5) . . ?
C36 C32 C31 117.9(6) . . ?
C36 C32 C33 120.8(6) . . ?
C31 C32 C33 121.3(5) . . ?
C32 C33 C35 110.7(6) . . ?
C32 C33 C34 114.2(6) . . ?
C35 C33 C34 110.2(5) . . ?
C32 C33 H33 107.1 . . ?
C35 C33 H33 107.1 . . ?
C34 C33 H33 107.1 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C37 C36 C32 120.4(7) . . ?
C37 C36 H36 119.8 . . ?
C32 C36 H36 119.8 . . ?
C36 C37 C38 121.7(7) . . ?
C36 C37 H37 119.1 . . ?
C38 C37 H37 119.1 . . ?
C37 C38 C39 121.2(7) . . ?
C37 C38 H38 119.4 . . ?
C39 C38 H38 119.4 . . ?
C38 C39 C31 117.3(6) . . ?
C38 C39 C40 121.2(6) . . ?
C31 C39 C40 121.5(5) . . ?
C39 C40 C41 110.2(6) . . ?
C39 C40 C42 112.8(6) . . ?
C41 C40 C42 111.6(5) . . ?
C39 C40 H40 107.3 . . ?
C41 C40 H40 107.3 . . ?
C42 C40 H40 107.3 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N8 C43 N7 104.5(4) . . ?
N8 C43 Ag3 123.9(4) . . ?
N7 C43 Ag3 131.3(4) . . ?
C45 C44 N8 108.2(5) . . ?
C45 C44 H44 125.9 . . ?
N8 C44 H44 125.9 . . ?
C44 C45 N7 107.0(5) . . ?
C44 C45 H45 126.5 . . ?
N7 C45 H45 126.5 . . ?
C49 C46 N7 112.0(5) . . ?
C49 C46 C48 108.9(5) . . ?
N7 C46 C48 109.8(5) . . ?
C49 C46 C47 108.7(5) . . ?
N7 C46 C47 108.7(5) . . ?
C48 C46 C47 108.6(6) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C46 C49 H49A 109.5 . . ?
C46 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C46 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N8 C50 C51 109.4(4) 2_656 . ?
N8 C50 H50A 109.8 2_656 . ?
C51 C50 H50A 109.8 . . ?
N8 C50 H50B 109.8 2_656 . ?
C51 C50 H50B 109.8 . . ?
H50A C50 H50B 108.2 . . ?
O3 C51 N9 127.4(4) . . ?
O3 C51 C50 115.9(4) . . ?
N9 C51 C50 116.5(4) . . ?
C60 C52 C53 120.7(4) . . ?
C60 C52 N9 118.6(4) . . ?
C53 C52 N9 120.7(4) . . ?
C52 C53 C57 118.1(5) . . ?
C52 C53 C54 120.9(4) . . ?
C57 C53 C54 121.0(5) . . ?
C53 C54 C55 111.2(4) . . ?
C53 C54 C56 112.9(4) . . ?
C55 C54 C56 110.7(4) . . ?
C53 C54 H54 107.3 . . ?
C55 C54 H54 107.3 . . ?
C56 C54 H54 107.3 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C53 121.7(5) . . ?
C58 C57 H57 119.1 . . ?
C53 C57 H57 119.1 . . ?
C57 C58 C59 119.6(5) . . ?
C57 C58 H58 120.2 . . ?
C59 C58 H58 120.2 . . ?
C58 C59 C60 120.1(5) . . ?
C58 C59 H59 120.0 . . ?
C60 C59 H59 120.0 . . ?
C52 C60 C59 119.7(5) . . ?
C52 C60 C61 120.7(4) . . ?
C59 C60 C61 119.5(5) . . ?
C63 C61 C62 112.1(5) . . ?
C63 C61 C60 112.6(5) . . ?
C62 C61 C60 113.5(4) . . ?
C63 C61 H61 106.0 . . ?
C62 C61 H61 106.0 . . ?
C60 C61 H61 106.0 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C222 C111 H11A 109.5 . . ?
C222 C111 H11B 109.5 . . ?
H11A C111 H11B 109.5 . . ?
C222 C111 H11C 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
N111 C222 C111 165(2) . . ?
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 C1 2.032(4) . ?
Ag1 N6 2.073(3) . ?
Ag2 C22 2.045(4) . ?
Ag2 N3 2.062(3) . ?
Ag3 C43 2.053(4) . ?
Ag3 N9 2.057(3) . ?
O1 C9 1.232(4) . ?
O2 C30 1.232(4) . ?
O3 C51 1.247(4) . ?
N1 C1 1.369(4) . ?
N1 C2 1.370(4) . ?
N1 C4 1.488(4) . ?
N2 C1 1.351(4) . ?
N2 C3 1.358(4) . ?
N2 C8 1.448(4) . ?
N3 C9 1.310(4) . ?
N3 C10 1.435(4) . ?
N4 C22 1.358(4) . ?
N4 C24 1.377(4) . ?
N4 C25 1.492(5) . ?
N5 C22 1.339(4) . ?
N5 C23 1.372(4) . ?
N5 C29 1.441(4) . ?
N6 C30 1.315(4) . ?
N6 C31 1.422(4) . ?
N7 C43 1.356(5) . ?
N7 C45 1.391(5) . ?
N7 C46 1.484(6) . ?
N8 C43 1.343(5) . ?
N8 C44 1.369(5) . ?
N8 C50 1.453(5) 2_656 ?
N9 C51 1.322(4) . ?
N9 C52 1.441(4) . ?
C2 C3 1.315(4) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C6 1.508(6) . ?
C4 C5 1.497(5) . ?
C4 C7 1.491(5) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.523(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C10 C18 1.384(5) . ?
C10 C11 1.413(5) . ?
C11 C15 1.372(5) . ?
C11 C12 1.502(5) . ?
C12 C13 1.504(5) . ?
C12 C14 1.505(5) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.352(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.364(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.388(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.519(5) . ?
C19 C20 1.505(6) . ?
C19 C21 1.503(5) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C23 C24 1.312(5) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C27 1.503(5) . ?
C25 C28 1.525(5) . ?
C25 C26 1.512(5) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.523(5) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C31 C32 1.390(6) . ?
C31 C39 1.417(6) . ?
C32 C36 1.398(6) . ?
C32 C33 1.524(7) . ?
C33 C35 1.506(7) . ?
C33 C34 1.512(6) . ?
C33 H33 1.0000 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.354(8) . ?
C36 H36 0.9500 . ?
C37 C38 1.356(8) . ?
C37 H37 0.9500 . ?
C38 C39 1.380(6) . ?
C38 H38 0.9500 . ?
C39 C40 1.496(7) . ?
C40 C41 1.489(6) . ?
C40 C42 1.528(7) . ?
C40 H40 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C44 C45 1.299(6) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 C49 1.450(6) . ?
C46 C48 1.477(6) . ?
C46 C47 1.490(7) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 N8 1.453(5) 2_656 ?
C50 C51 1.519(5) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C52 C60 1.377(5) . ?
C52 C53 1.389(5) . ?
C53 C57 1.387(5) . ?
C53 C54 1.509(5) . ?
C54 C55 1.514(5) . ?
C54 C56 1.512(5) . ?
C54 H54 1.0000 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.364(6) . ?
C57 H57 0.9500 . ?
C58 C59 1.379(6) . ?
C58 H58 0.9500 . ?
C59 C60 1.384(5) . ?
C59 H59 0.9500 . ?
C60 C61 1.520(6) . ?
C61 C63 1.470(5) . ?
C61 C62 1.458(6) . ?
C61 H61 1.0000 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C111 C222 1.548(13) . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C222 N111 0.933(18) . ?
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
C22 Ag2 N3 C9 142.3(9) . . . . ?
C22 Ag2 N3 C10 -38.0(10) . . . . ?
C1 Ag1 N6 C30 141.7(8) . . . . ?
C1 Ag1 N6 C31 -37.6(10) . . . . ?
C43 Ag3 N9 C51 -177.8(15) . . . . ?
C43 Ag3 N9 C52 2.5(18) . . . . ?
C3 N2 C1 N1 -0.7(4) . . . . ?
C8 N2 C1 N1 167.6(3) . . . . ?
C3 N2 C1 Ag1 172.8(3) . . . . ?
C8 N2 C1 Ag1 -19.0(5) . . . . ?
C2 N1 C1 N2 1.0(4) . . . . ?
C4 N1 C1 N2 179.0(4) . . . . ?
C2 N1 C1 Ag1 -172.0(3) . . . . ?
C4 N1 C1 Ag1 6.0(6) . . . . ?
N6 Ag1 C1 N2 -135.6(8) . . . . ?
N6 Ag1 C1 N1 35.9(11) . . . . ?
C1 N1 C2 C3 -0.9(5) . . . . ?
C4 N1 C2 C3 -179.0(4) . . . . ?
N1 C2 C3 N2 0.5(5) . . . . ?
C1 N2 C3 C2 0.1(5) . . . . ?
C8 N2 C3 C2 -167.9(3) . . . . ?
C1 N1 C4 C6 47.8(6) . . . . ?
C2 N1 C4 C6 -134.5(4) . . . . ?
C1 N1 C4 C5 -69.9(5) . . . . ?
C2 N1 C4 C5 107.9(5) . . . . ?
C1 N1 C4 C7 168.5(4) . . . . ?
C2 N1 C4 C7 -13.7(6) . . . . ?
C1 N2 C8 C9 -93.2(4) . . . . ?
C3 N2 C8 C9 73.6(5) . . . . ?
C10 N3 C9 O1 0.2(6) . . . . ?
Ag2 N3 C9 O1 180.0(3) . . . . ?
C10 N3 C9 C8 -179.4(3) . . . . ?
Ag2 N3 C9 C8 0.4(5) . . . . ?
N2 C8 C9 O1 -67.0(4) . . . . ?
N2 C8 C9 N3 112.6(4) . . . . ?
C9 N3 C10 C18 102.4(4) . . . . ?
Ag2 N3 C10 C18 -77.4(4) . . . . ?
C9 N3 C10 C11 -82.4(4) . . . . ?
Ag2 N3 C10 C11 97.8(3) . . . . ?
C18 C10 C11 C15 -1.6(6) . . . . ?
N3 C10 C11 C15 -176.8(4) . . . . ?
C18 C10 C11 C12 178.4(4) . . . . ?
N3 C10 C11 C12 3.3(6) . . . . ?
C15 C11 C12 C13 -75.5(6) . . . . ?
C10 C11 C12 C13 104.4(4) . . . . ?
C15 C11 C12 C14 49.9(6) . . . . ?
C10 C11 C12 C14 -130.2(4) . . . . ?
C10 C11 C15 C16 -0.7(7) . . . . ?
C12 C11 C15 C16 179.2(4) . . . . ?
C11 C15 C16 C17 1.6(8) . . . . ?
C15 C16 C17 C18 -0.1(7) . . . . ?
C11 C10 C18 C17 3.0(6) . . . . ?
N3 C10 C18 C17 178.2(3) . . . . ?
C11 C10 C18 C19 -178.1(4) . . . . ?
N3 C10 C18 C19 -3.0(6) . . . . ?
C16 C17 C18 C10 -2.2(6) . . . . ?
C16 C17 C18 C19 179.0(4) . . . . ?
C10 C18 C19 C20 145.5(4) . . . . ?
C17 C18 C19 C20 -35.6(6) . . . . ?
C10 C18 C19 C21 -87.2(5) . . . . ?
C17 C18 C19 C21 91.6(5) . . . . ?
C23 N5 C22 N4 0.5(4) . . . . ?
C29 N5 C22 N4 175.3(3) . . . . ?
C23 N5 C22 Ag2 171.4(3) . . . . ?
C29 N5 C22 Ag2 -13.7(5) . . . . ?
C24 N4 C22 N5 -0.2(4) . . . . ?
C25 N4 C22 N5 -177.3(4) . . . . ?
C24 N4 C22 Ag2 -170.8(3) . . . . ?
C25 N4 C22 Ag2 12.1(6) . . . . ?
N3 Ag2 C22 N5 -145.9(8) . . . . ?
N3 Ag2 C22 N4 22.8(12) . . . . ?
C22 N5 C23 C24 -0.6(5) . . . . ?
C29 N5 C23 C24 -175.4(3) . . . . ?
N5 C23 C24 N4 0.5(5) . . . . ?
C22 N4 C24 C23 -0.2(5) . . . . ?
C25 N4 C24 C23 176.9(4) . . . . ?
C22 N4 C25 C27 175.8(4) . . . . ?
C24 N4 C25 C27 -0.8(6) . . . . ?
C22 N4 C25 C28 -63.6(5) . . . . ?
C24 N4 C25 C28 119.7(4) . . . . ?
C22 N4 C25 C26 54.9(6) . . . . ?
C24 N4 C25 C26 -121.8(4) . . . . ?
C22 N5 C29 C30 -98.1(4) . . . . ?
C23 N5 C29 C30 76.0(5) . . . . ?
C31 N6 C30 O2 -2.9(7) . . . . ?
Ag1 N6 C30 O2 177.7(3) . . . . ?
C31 N6 C30 C29 176.9(4) . . . . ?
Ag1 N6 C30 C29 -2.5(6) . . . . ?
N5 C29 C30 O2 -65.9(5) . . . . ?
N5 C29 C30 N6 114.3(4) . . . . ?
C30 N6 C31 C32 99.7(5) . . . . ?
Ag1 N6 C31 C32 -80.8(4) . . . . ?
C30 N6 C31 C39 -87.2(5) . . . . ?
Ag1 N6 C31 C39 92.3(4) . . . . ?
C39 C31 C32 C36 3.3(7) . . . . ?
N6 C31 C32 C36 176.3(4) . . . . ?
C39 C31 C32 C33 -177.3(5) . . . . ?
N6 C31 C32 C33 -4.4(7) . . . . ?
C36 C32 C33 C35 95.1(6) . . . . ?
C31 C32 C33 C35 -84.3(6) . . . . ?
C36 C32 C33 C34 -30.0(8) . . . . ?
C31 C32 C33 C34 150.7(5) . . . . ?
C31 C32 C36 C37 -2.7(9) . . . . ?
C33 C32 C36 C37 178.0(6) . . . . ?
C32 C36 C37 C38 2.1(11) . . . . ?
C36 C37 C38 C39 -2.2(11) . . . . ?
C37 C38 C39 C31 2.7(9) . . . . ?
C37 C38 C39 C40 -179.8(6) . . . . ?
C32 C31 C39 C38 -3.3(7) . . . . ?
N6 C31 C39 C38 -176.3(4) . . . . ?
C32 C31 C39 C40 179.2(5) . . . . ?
N6 C31 C39 C40 6.2(7) . . . . ?
C38 C39 C40 C41 -79.4(7) . . . . ?
C31 C39 C40 C41 98.0(5) . . . . ?
C38 C39 C40 C42 46.0(7) . . . . ?
C31 C39 C40 C42 -136.6(5) . . . . ?
C44 N8 C43 N7 -0.5(5) . . . . ?
C50 N8 C43 N7 171.9(4) 2_656 . . . ?
C44 N8 C43 Ag3 174.1(3) . . . . ?
C50 N8 C43 Ag3 -13.5(6) 2_656 . . . ?
C45 N7 C43 N8 0.1(5) . . . . ?
C46 N7 C43 N8 179.4(4) . . . . ?
C45 N7 C43 Ag3 -173.9(3) . . . . ?
C46 N7 C43 Ag3 5.3(7) . . . . ?
N9 Ag3 C43 N8 -98.9(16) . . . . ?
N9 Ag3 C43 N7 74.1(18) . . . . ?
C43 N8 C44 C45 0.7(6) . . . . ?
C50 N8 C44 C45 -172.0(4) 2_656 . . . ?
N8 C44 C45 N7 -0.6(6) . . . . ?
C43 N7 C45 C44 0.3(6) . . . . ?
C46 N7 C45 C44 -178.9(5) . . . . ?
C43 N7 C46 C49 -63.3(7) . . . . ?
C45 N7 C46 C49 115.9(5) . . . . ?
C43 N7 C46 C48 175.6(5) . . . . ?
C45 N7 C46 C48 -5.3(8) . . . . ?
C43 N7 C46 C47 56.9(7) . . . . ?
C45 N7 C46 C47 -124.0(5) . . . . ?
C52 N9 C51 O3 -5.5(7) . . . . ?
Ag3 N9 C51 O3 174.8(3) . . . . ?
C52 N9 C51 C50 169.5(4) . . . . ?
Ag3 N9 C51 C50 -10.2(6) . . . . ?
N8 C50 C51 O3 65.9(5) 2_656 . . . ?
N8 C50 C51 N9 -109.6(4) 2_656 . . . ?
C51 N9 C52 C60 -85.1(5) . . . . ?
Ag3 N9 C52 C60 94.7(4) . . . . ?
C51 N9 C52 C53 96.4(5) . . . . ?
Ag3 N9 C52 C53 -83.9(4) . . . . ?
C60 C52 C53 C57 2.0(6) . . . . ?
N9 C52 C53 C57 -179.5(4) . . . . ?
C60 C52 C53 C54 -179.2(4) . . . . ?
N9 C52 C53 C54 -0.7(6) . . . . ?
C52 C53 C54 C55 -87.8(5) . . . . ?
C57 C53 C54 C55 91.0(5) . . . . ?
C52 C53 C54 C56 147.1(4) . . . . ?
C57 C53 C54 C56 -34.1(6) . . . . ?
C52 C53 C57 C58 -0.4(7) . . . . ?
C54 C53 C57 C58 -179.3(4) . . . . ?
C53 C57 C58 C59 -0.9(8) . . . . ?
C57 C58 C59 C60 0.8(8) . . . . ?
C53 C52 C60 C59 -2.1(6) . . . . ?
N9 C52 C60 C59 179.4(4) . . . . ?
C53 C52 C60 C61 175.7(4) . . . . ?
N9 C52 C60 C61 -2.9(6) . . . . ?
C58 C59 C60 C52 0.7(7) . . . . ?
C58 C59 C60 C61 -177.1(4) . . . . ?
C52 C60 C61 C63 128.7(5) . . . . ?
C59 C60 C61 C63 -53.5(6) . . . . ?
C52 C60 C61 C62 -102.6(5) . . . . ?
C59 C60 C61 C62 75.2(6) . . . . ?
