#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:48:41 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179264 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/84/4318423.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_4318423
loop_
_publ_author_name
'Mark A. Fox'
'Mary F. Mahon'
'Nathan J. Patmore'
'Andrew S. Weller'
_publ_section_title
;
 Solution and Solid-State Structure of the Anion [Ag2{closo-CB11H12}4]2-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4567
_journal_page_last               4573
_journal_paper_doi               10.1021/ic025730h
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C22 H36 Ag B11 N2'
_chemical_formula_weight         555.31
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 108.5580(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.4570(2)
_cell_length_b                   20.1150(3)
_cell_length_c                   19.2130(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     5663.04(15)
_computing_data_reduction
'Denzo and Scalepack (otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       KappaCCD
_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  0.1469
_diffrn_reflns_av_sigmaI/netI    0.0681
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            85847
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         3.66
_exptl_absorpt_coefficient_mu    0.727
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.87
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.489
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       0.00105(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     749
_refine_ls_number_reflns         9621
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1055
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; calc
  [1.00000+0.00000exp(0.00(sinθ/λ)²)]/
    [σ²(Fo²)+0.0000+12.6941*P+(0.0482P)²+0.0000sinθ/λ]
  where P = 0.00000Fo² + 1.00000Fc²
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1419
_reflns_number_gt                5969
_reflns_number_total             9621
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025730h.cif
_cod_data_source_block           c:\backup\kappa\k01asw15
_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.

'_exptl_absorpt_correction_type' value 'Multi-Scan'
changed to 'multi-scan' 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        5663.04(14)
_cod_database_code               4318423
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.20114(3) 0.07764(2) 0.40473(2) 0.03742(15) Uani 1 1 d . . .
N1 N 0.1779(3) 0.0258(2) 0.2470(2) 0.0405(12) Uani 1 1 d . . .
C1 C 0.6312(6) 0.2628(4) 0.2859(4) 0.077(3) Uani 1 1 d . A .
H1 H 0.6571 0.3130 0.3084 0.093 Uiso 1 1 calc R . .
C1A C 0.1626(4) 0.0745(3) 0.2912(3) 0.0377(13) Uani 1 1 d . . .
Ag2 Ag 0.53818(4) 0.07374(3) 0.08952(3) 0.0662(2) Uani 1 1 d . . .
N2 N 0.1215(3) 0.1232(2) 0.2434(2) 0.0404(11) Uani 1 1 d . . .
C2 C 0.1463(5) 0.0437(3) 0.1742(3) 0.0551(18) Uani 1 1 d . . .
H2A H 0.1489 0.0176 0.1337 0.066 Uiso 1 1 calc R . .
B2 B 0.6655(10) 0.2310(7) 0.2173(7) 0.124(6) Uani 1 1 d . . .
H2 H 0.7129 0.2560 0.1920 0.149 Uiso 1 1 calc R A .
N3 N 0.2419(3) 0.0399(2) 0.5695(2) 0.0431(12) Uani 1 1 d . . .
C3 C 0.1108(5) 0.1053(3) 0.1710(3) 0.0504(16) Uani 1 1 d . . .
H3A H 0.0840 0.1312 0.1282 0.060 Uiso 1 1 calc R . .
B3 B 0.5556(10) 0.2591(5) 0.2008(5) 0.095(4) Uani 1 1 d . A .
H3 H 0.5301 0.3033 0.1647 0.114 Uiso 1 1 calc R . .
N4 N 0.3147(4) 0.1279(3) 0.5576(3) 0.0489(13) Uani 1 1 d . . .
C4 C 0.2152(4) -0.0386(3) 0.2749(3) 0.0430(15) Uani 1 1 d . . .
B4 B 0.5239(6) 0.2432(4) 0.2812(4) 0.060(2) Uani 1 1 d . . .
H4 H 0.4764 0.2765 0.2985 0.072 Uiso 1 1 calc R A .
C5 C 0.3097(5) -0.0492(4) 0.2927(4) 0.0534(17) Uani 1 1 d . . .
B5 B 0.6165(6) 0.2065(4) 0.3452(4) 0.056(2) Uani 1 1 d . A .
H5 H 0.6317 0.2147 0.4056 0.067 Uiso 1 1 calc R . .
C6 C 0.3421(5) -0.1105(4) 0.3231(4) 0.0595(19) Uani 1 1 d . . .
H6A H 0.4054 -0.1198 0.3351 0.071 Uiso 1 1 calc R . .
B6 B 0.7032(7) 0.1999(7) 0.3050(6) 0.100(4) Uani 1 1 d . A .
H6 H 0.7768 0.2046 0.3386 0.120 Uiso 1 1 calc R . .
C7 C 0.2857(5) -0.1588(4) 0.3368(4) 0.0591(19) Uani 1 1 d . . .
B7 B 0.5730(6) 0.1824(4) 0.1652(4) 0.057(2) Uani 1 1 d . A .
H7 H 0.5577 0.1739 0.1049 0.068 Uiso 1 1 calc R . .
C8 C 0.1927(5) -0.1469(3) 0.3161(3) 0.0509(16) Uani 1 1 d . . .
H8A H 0.1531 -0.1806 0.3231 0.061 Uiso 1 1 calc R . .
B8 B 0.4853(6) 0.1912(5) 0.2038(5) 0.074(3) Uani 1 1 d . A .
H13 H 0.4118 0.1891 0.1689 0.089 Uiso 1 1 calc R . .
C9 C 0.1560(4) -0.0858(3) 0.2851(3) 0.0405(14) Uani 1 1 d . . .
B9 B 0.5240(6) 0.1593(5) 0.2945(5) 0.066(2) Uani 1 1 d . A .
H9 H 0.4761 0.1355 0.3202 0.079 Uiso 1 1 calc R . .
C10 C 0.3722(5) 0.0040(4) 0.2806(5) 0.081(2) Uani 1 1 d . . .
H10A H 0.3362 0.0432 0.2587 0.122 Uiso 1 1 calc R . .
H10B H 0.4041 -0.0128 0.2475 0.122 Uiso 1 1 calc R . .
H10C H 0.4169 0.0162 0.3278 0.122 Uiso 1 1 calc R . .
B10 B 0.6379(8) 0.1315(5) 0.3099(5) 0.090(4) Uani 1 1 d . . .
H10 H 0.6672 0.0884 0.3468 0.108 Uiso 1 1 calc R A .
C11 C 0.0548(4) -0.0736(3) 0.2626(4) 0.0593(18) Uani 1 1 d . . .
H11A H 0.0243 -0.1129 0.2740 0.089 Uiso 1 1 calc R . .
H11B H 0.0314 -0.0647 0.2098 0.089 Uiso 1 1 calc R . .
H11C H 0.0426 -0.0352 0.2895 0.089 Uiso 1 1 calc R . .
B11 B 0.6679(6) 0.1449(6) 0.2317(5) 0.081(3) Uani 1 1 d . A .
H11 H 0.7164 0.1113 0.2161 0.098 Uiso 1 1 calc R . .
C12 C 0.3253(6) -0.2236(4) 0.3742(4) 0.078(2) Uani 1 1 d . . .
H12A H 0.3918 -0.2231 0.3855 0.117 Uiso 1 1 calc R . .
H12B H 0.2995 -0.2609 0.3414 0.117 Uiso 1 1 calc R . .
H12C H 0.3102 -0.2285 0.4197 0.117 Uiso 1 1 calc R . .
B12 B 0.5561(6) 0.1199(4) 0.2238(4) 0.057(2) Uani 1 1 d . A .
H12 H 0.5298 0.0694 0.2030 0.068 Uiso 1 1 calc R . .
C13 C 0.0957(4) 0.1857(3) 0.2672(3) 0.0387(14) Uani 1 1 d . . .
C14 C 0.1629(4) 0.2330(3) 0.2980(3) 0.0410(14) Uani 1 1 d . . .
C15 C 0.1356(4) 0.2923(3) 0.3209(3) 0.0482(16) Uani 1 1 d . . .
H15A H 0.1803 0.3252 0.3422 0.058 Uiso 1 1 calc R . .
C16 C 0.0459(5) 0.3052(3) 0.3140(3) 0.0504(16) Uani 1 1 d . . .
C17 C -0.0197(5) 0.2572(3) 0.2828(3) 0.0504(16) Uani 1 1 d . . .
H17A H -0.0818 0.2660 0.2776 0.060 Uiso 1 1 calc R . .
C18 C 0.0035(4) 0.1972(3) 0.2595(3) 0.0448(15) Uani 1 1 d . . .
C19 C -0.0684(5) 0.1443(4) 0.2278(4) 0.0631(19) Uani 1 1 d . . .
H19A H -0.0398 0.1052 0.2139 0.095 Uiso 1 1 calc R . .
H19B H -0.1152 0.1620 0.1844 0.095 Uiso 1 1 calc R . .
H19C H -0.0968 0.1315 0.2648 0.095 Uiso 1 1 calc R . .
C20 C 0.2619(4) 0.2196(3) 0.3075(4) 0.0519(16) Uani 1 1 d . . .
H20A H 0.2680 0.1752 0.2884 0.078 Uiso 1 1 calc R . .
H20B H 0.2975 0.2217 0.3597 0.078 Uiso 1 1 calc R . .
H20C H 0.2846 0.2530 0.2805 0.078 Uiso 1 1 calc R . .
C21 C 0.0189(6) 0.3710(4) 0.3393(4) 0.073(2) Uani 1 1 d . . .
H21A H -0.0472 0.3715 0.3305 0.109 Uiso 1 1 calc R . .
H21B H 0.0353 0.4073 0.3119 0.109 Uiso 1 1 calc R . .
H21C H 0.0509 0.3767 0.3919 0.109 Uiso 1 1 calc R . .
B21 B 0.1904(19) 0.0575(12) -0.0050(13) 0.046(6) Uani 0.50 1 d P A 1
H21 H 0.1347 0.0680 0.0192 0.055 Uiso 0.50 1 calc PR A 1
C22 C 0.2527(4) 0.0825(3) 0.5181(3) 0.0404(14) Uani 1 1 d . . .
B22 B 0.262(4) -0.007(3) 0.022(3) 0.070(19) Uani 0.50 1 d P A 1
H22 H 0.2514 -0.0418 0.0638 0.084 Uiso 0.50 1 calc PR A 1
C23 C 0.3426(5) 0.1133(4) 0.6324(3) 0.0618(19) Uani 1 1 d . . .
H23A H 0.3852 0.1374 0.6708 0.074 Uiso 1 1 calc R . .
B23 B 0.3016(17) 0.0725(12) 0.0463(10) 0.045(4) Uani 0.50 1 d P A 1
H23 H 0.3211 0.0920 0.1038 0.054 Uiso 0.50 1 calc PR A 1
C24 C 0.2965(5) 0.0582(3) 0.6390(3) 0.0556(18) Uani 1 1 d . . .
H24A H 0.3008 0.0358 0.6835 0.067 Uiso 1 1 calc R . .
B24 B 0.2440(19) 0.1203(11) -0.0365(15) 0.044(5) Uani 0.50 1 d P A 1
H24 H 0.2228 0.1733 -0.0347 0.053 Uiso 0.50 1 calc PR A 1
C25 C 0.1830(4) -0.0174(3) 0.5537(3) 0.0434(15) Uani 1 1 d . . .
B25 B 0.1836(11) 0.0700(13) -0.0952(10) 0.035(4) Uani 0.50 1 d P A 1
H25 H 0.1179 0.0896 -0.1337 0.043 Uiso 0.50 1 calc PR A 1
C26 C 0.2080(4) -0.0721(3) 0.5188(3) 0.0469(15) Uani 1 1 d . . .
B26 B 0.1861(16) -0.0116(12) -0.0638(9) 0.050(5) Uani 0.50 1 d P A 1
H26 H 0.1279 -0.0476 -0.0805 0.060 Uiso 0.50 1 calc PR A 1
C27 C 0.1520(5) -0.1279(3) 0.5072(4) 0.0548(17) Uani 1 1 d . . .
H27A H 0.1654 -0.1650 0.4817 0.066 Uiso 1 1 calc R . .
B27 B 0.3724(13) 0.0166(12) 0.0207(14) 0.047(5) Uani 0.50 1 d P A 1
H27 H 0.4381 -0.0005 0.0614 0.056 Uiso 0.50 1 calc PR A 1
C28 C 0.0766(5) -0.1308(4) 0.5322(4) 0.064(2) Uani 1 1 d . . .
B28 B 0.3588(17) 0.0964(14) -0.0178(14) 0.055(6) Uani 0.50 1 d P A 1
H28 H 0.4157 0.1335 -0.0021 0.066 Uiso 0.50 1 calc PR A 1
C29 C 0.0557(5) -0.0761(5) 0.5656(4) 0.064(2) Uani 1 1 d . . .
H29A H 0.0031 -0.0777 0.5809 0.077 Uiso 1 1 calc R . .
B29 B 0.2824(13) 0.0939(10) -0.1099(10) 0.041(6) Uiso 0.50 1 d P A 1
H29 H 0.2882 0.1269 -0.1552 0.050 Uiso 0.50 1 calc PR A 1
C30 C 0.1073(5) -0.0185(4) 0.5783(3) 0.0549(18) Uani 1 1 d . . .
B30 B 0.2467(16) 0.0131(12) -0.1268(10) 0.051(4) Uani 0.50 1 d P A 1
H30 H 0.2274 -0.0069 -0.1841 0.061 Uiso 0.50 1 calc PR A 1
C31 C 0.2916(4) -0.0724(3) 0.4953(4) 0.0529(16) Uani 1 1 d . . .
H31A H 0.2969 -0.1155 0.4732 0.079 Uiso 1 1 calc R . .
H31B H 0.3457 -0.0649 0.5381 0.079 Uiso 1 1 calc R . .
H31C H 0.2870 -0.0370 0.4593 0.079 Uiso 1 1 calc R . .
B31 B 0.303(2) -0.0353(8) -0.0453(13) 0.048(4) Uani 0.50 1 d P A 1
H31 H 0.3236 -0.0883 -0.0480 0.058 Uiso 0.50 1 calc PR A 1
C32 C 0.0823(5) 0.0408(4) 0.6157(4) 0.076(2) Uani 1 1 d . . .
H32A H 0.1268 0.0764 0.6194 0.114 Uiso 1 1 calc R . .
H32B H 0.0825 0.0281 0.6650 0.114 Uiso 1 1 calc R . .
H32C H 0.0213 0.0564 0.5871 0.114 Uiso 1 1 calc R . .
B32 B 0.3591(15) 0.0283(10) -0.0729(11) 0.041(5) Uani 0.50 1 d P . 1
H32 H 0.4171 0.0178 -0.0943 0.050 Uiso 0.50 1 calc PR A 1
C33 C 0.0209(6) -0.1940(5) 0.5225(5) 0.093(3) Uani 1 1 d . . .
H33A H 0.0470 -0.2276 0.4981 0.139 Uiso 1 1 calc R . .
H33B H -0.0422 -0.1848 0.4925 0.139 Uiso 1 1 calc R . .
H33C H 0.0218 -0.2106 0.5707 0.139 Uiso 1 1 calc R . .
C34 C 0.3500(4) 0.1833(3) 0.5266(3) 0.0464(15) Uani 1 1 d . . .
C35 C 0.3107(5) 0.2455(3) 0.5250(4) 0.0540(17) Uani 1 1 d . . .
C36 C 0.3484(5) 0.2974(4) 0.4987(4) 0.0587(19) Uani 1 1 d . . .
H36A H 0.3237 0.3407 0.4987 0.070 Uiso 1 1 calc R . .
C37 C 0.4213(5) 0.2893(4) 0.4722(4) 0.062(2) Uani 1 1 d . . .
C38 C 0.4564(4) 0.2269(4) 0.4728(4) 0.062(2) Uani 1 1 d . . .
H38A H 0.5058 0.2209 0.4540 0.074 Uiso 1 1 calc R . .
C39 C 0.4229(4) 0.1718(4) 0.4998(4) 0.0582(19) Uani 1 1 d . . .
C40 C 0.2276(6) 0.2561(4) 0.5495(5) 0.080(3) Uani 1 1 d . . .
H40A H 0.2104 0.2139 0.5669 0.119 Uiso 1 1 calc R . .
H40B H 0.1769 0.2724 0.5080 0.119 Uiso 1 1 calc R . .
H40C H 0.2420 0.2889 0.5893 0.119 Uiso 1 1 calc R . .
C41 C 0.4613(5) 0.1037(4) 0.4986(4) 0.077(2) Uani 1 1 d . . .
H41A H 0.4290 0.0719 0.5201 0.116 Uiso 1 1 calc R . .
H41B H 0.5263 0.1037 0.5271 0.116 Uiso 1 1 calc R . .
H41C H 0.4537 0.0909 0.4478 0.116 Uiso 1 1 calc R . .
B41 B 0.2068(17) 0.1065(13) -0.0707(14) 0.047(6) Uani 0.50 1 d P A 2
H41 H 0.1555 0.1474 -0.0892 0.056 Uiso 0.50 1 calc PR A 2
C42 C 0.4618(6) 0.3475(5) 0.4424(5) 0.094(3) Uani 1 1 d . . .
H42A H 0.4292 0.3884 0.4462 0.140 Uiso 1 1 calc R . .
H42B H 0.4559 0.3392 0.3908 0.140 Uiso 1 1 calc R . .
H42C H 0.5265 0.3523 0.4710 0.140 Uiso 1 1 calc R . .
B42 B 0.304(2) 0.1238(9) -0.0103(12) 0.050(4) Uani 0.50 1 d P A 2
H42 H 0.3204 0.1748 0.0137 0.060 Uiso 0.50 1 calc PR A 2
B43 B 0.2986(13) 0.1087(10) -0.0988(10) 0.039(5) Uiso 0.50 1 d P A 2
H43 H 0.3141 0.1482 -0.1341 0.047 Uiso 0.50 1 calc PR A 2
B44 B 0.2094(14) 0.0524(13) -0.1305(14) 0.062(5) Uani 0.50 1 d P A 2
H44 H 0.1624 0.0544 -0.1885 0.074 Uiso 0.50 1 calc PR A 2
B45 B 0.1667(12) 0.0313(17) -0.0638(14) 0.063(6) Uani 0.50 1 d P A 2
H45 H 0.0929 0.0186 -0.0760 0.075 Uiso 0.50 1 calc PR A 2
B46 B 0.230(2) 0.0774(13) 0.0157(18) 0.059(8) Uani 0.50 1 d P A 2
H46 H 0.1978 0.0966 0.0567 0.070 Uiso 0.50 1 calc PR A 2
B47 B 0.3874(16) 0.0703(12) -0.0298(12) 0.050(5) Uani 0.50 1 d P A 2
H47 H 0.4609 0.0840 -0.0185 0.060 Uiso 0.50 1 calc PR A 2
B48 B 0.3262(15) 0.0260(10) -0.1084(11) 0.043(5) Uani 0.50 1 d P A 2
H48 H 0.3586 0.0097 -0.1501 0.051 Uiso 0.50 1 calc PR A 2
B49 B 0.2424(14) -0.0244(10) -0.0863(12) 0.050(4) Uani 0.50 1 d P A 2
H49 H 0.2198 -0.0735 -0.1136 0.060 Uiso 0.50 1 calc PR A 2
B50 B 0.258(3) -0.0108(18) 0.014(3) 0.044(12) Uani 0.50 1 d P A 2
H50 H 0.2452 -0.0490 0.0525 0.053 Uiso 0.50 1 calc PR A 2
B51 B 0.3445(19) 0.0481(14) 0.0414(9) 0.046(4) Uani 0.50 1 d P A 2
H51 H 0.3910 0.0472 0.0995 0.055 Uiso 0.50 1 calc PR A 2
B52 B 0.3519(13) -0.0103(12) -0.0195(13) 0.042(4) Uani 0.50 1 d P A 2
H52 H 0.4023 -0.0520 -0.0025 0.051 Uiso 0.50 1 calc PR A 2
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'
Ag Ag -0.8971 1.1015 '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'
B B 0.0013 0.0007 '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
C22 Ag1 C1A 174.3(2) . . ?
C1A N1 C2 111.7(5) . . ?
C1A N1 C4 122.5(5) . . ?
C2 N1 C4 125.6(5) . . ?
B6 C1 B5 63.7(6) . . ?
B6 C1 B3 113.2(6) . . ?
B5 C1 B3 115.5(6) . . ?
B6 C1 B4 114.6(7) . . ?
B5 C1 B4 62.1(5) . . ?
B3 C1 B4 64.4(6) . . ?
B6 C1 B2 61.8(7) . . ?
B5 C1 B2 114.8(8) . . ?
B3 C1 B2 61.3(7) . . ?
B4 C1 B2 114.7(6) . . ?
N2 C1A N1 103.5(5) . . ?
N2 C1A Ag1 127.4(4) . . ?
N1 C1A Ag1 129.0(4) . . ?
H47 Ag2 H27 70.5 . . ?
H47 Ag2 B7 115.8 . . ?
H27 Ag2 B7 138.8 . . ?
H47 Ag2 B32 97.6 . 3_655 ?
H27 Ag2 B32 80.8 . 3_655 ?
B7 Ag2 B32 133.7(5) . 3_655 ?
H47 Ag2 B12 142.3 . . ?
H27 Ag2 B12 109.7 . . ?
B7 Ag2 B12 39.1(2) . . ?
B32 Ag2 B12 119.9(5) 3_655 . ?
H47 Ag2 B47 22.4 . . ?
H27 Ag2 B47 52.8 . . ?
B7 Ag2 B47 117.9(6) . . ?
B32 Ag2 B47 105.3(6) 3_655 . ?
B12 Ag2 B47 128.7(6) . . ?
H47 Ag2 B27 53.0 . . ?
H27 Ag2 B27 22.1 . . ?
B7 Ag2 B27 128.5(6) . . ?
B32 Ag2 B27 96.9(7) 3_655 . ?
B12 Ag2 B27 113.9(6) . . ?
B47 Ag2 B27 32.4(6) . . ?
H47 Ag2 B52 78.8 . 3_655 ?
H27 Ag2 B52 93.6 . 3_655 ?
B7 Ag2 B52 127.5(6) . 3_655 ?
B32 Ag2 B52 27.8(5) 3_655 3_655 ?
B12 Ag2 B52 137.1(5) . 3_655 ?
B47 Ag2 B52 94.1(7) . 3_655 ?
B27 Ag2 B52 101.3(5) . 3_655 ?
H47 Ag2 H52 58.9 . . ?
H27 Ag2 H52 18.6 . . ?
B7 Ag2 H52 154.8 . . ?
B32 Ag2 H52 70.1 3_655 . ?
B12 Ag2 H52 128.1 . . ?
B47 Ag2 H52 46.9 . . ?
B27 Ag2 H52 26.8 . . ?
B52 Ag2 H52 77.2 3_655 . ?
H47 Ag2 B52 47.4 . . ?
H27 Ag2 B52 23.1 . . ?
B7 Ag2 B52 138.3(4) . . ?
B32 Ag2 B52 87.9(6) 3_655 . ?
B12 Ag2 B52 124.8(4) . . ?
B47 Ag2 B52 30.3(5) . . ?
B27 Ag2 B52 11.3(5) . . ?
B52 Ag2 B52 90.1(5) 3_655 . ?
H52 Ag2 B52 18.9 . . ?
H47 Ag2 B32 25.9 . . ?
H27 Ag2 B32 44.6 . . ?
B7 Ag2 B32 132.3(3) . . ?
B32 Ag2 B32 91.4(6) 3_655 . ?
B12 Ag2 B32 138.3(3) . . ?
B47 Ag2 B32 14.4(6) . . ?
B27 Ag2 B32 28.7(5) . . ?
B52 Ag2 B32 83.3(6) 3_655 . ?
H52 Ag2 B32 34.5 . . ?
B52 Ag2 B32 21.6(4) . . ?
H47 Ag2 H32 24.1 . . ?
H27 Ag2 H32 54.2 . . ?
B7 Ag2 H32 139.8 . . ?
B32 Ag2 H32 77.7 3_655 . ?
B12 Ag2 H32 156.2 . . ?
B47 Ag2 H32 28.7 . . ?
B27 Ag2 H32 44.1 . . ?
B52 Ag2 H32 65.9 3_655 . ?
H52 Ag2 H32 38.5 . . ?
B52 Ag2 H32 34.3 . . ?
B32 Ag2 H32 17.9 . . ?
C1A N2 C3 111.8(5) . . ?
C1A N2 C13 122.3(5) . . ?
C3 N2 C13 125.8(5) . . ?
C3 C2 N1 107.2(5) . . ?
C1 B2 B6 57.8(6) . . ?
C1 B2 B3 59.0(6) . . ?
B6 B2 B3 107.9(7) . . ?
C1 B2 B11 104.2(8) . . ?
B6 B2 B11 60.0(7) . . ?
B3 B2 B11 108.9(7) . . ?
C1 B2 B7 104.7(7) . . ?
B6 B2 B7 108.4(8) . . ?
B3 B2 B7 60.1(6) . . ?
B11 B2 B7 60.9(5) . . ?
C22 N3 C24 110.9(5) . . ?
C22 N3 C25 124.6(5) . . ?
C24 N3 C25 124.5(5) . . ?
C2 C3 N2 105.9(6) . . ?
C1 B3 B2 59.7(6) . . ?
C1 B3 B7 105.9(7) . . ?
B2 B3 B7 61.0(6) . . ?
C1 B3 B8 104.4(6) . . ?
B2 B3 B8 108.8(7) . . ?
B7 B3 B8 59.9(5) . . ?
C1 B3 B4 57.7(5) . . ?
B2 B3 B4 107.9(7) . . ?
B7 B3 B4 107.4(6) . . ?
B8 B3 B4 59.4(5) . . ?
C22 N4 C23 111.5(6) . . ?
C22 N4 C34 125.0(5) . . ?
C23 N4 C34 123.5(5) . . ?
C9 C4 C5 123.2(6) . . ?
C9 C4 N1 117.8(5) . . ?
C5 C4 N1 118.9(6) . . ?
C1 B4 B9 105.7(6) . . ?
C1 B4 B5 58.8(5) . . ?
B9 B4 B5 60.7(5) . . ?
C1 B4 B8 104.4(6) . . ?
B9 B4 B8 61.4(5) . . ?
B5 B4 B8 109.2(6) . . ?
C1 B4 B3 57.8(6) . . ?
B9 B4 B3 108.5(6) . . ?
B5 B4 B3 107.3(7) . . ?
B8 B4 B3 59.3(5) . . ?
C6 C5 C4 116.3(6) . . ?
C6 C5 C10 122.2(7) . . ?
C4 C5 C10 121.5(7) . . ?
C1 B5 B10 103.8(6) . . ?
C1 B5 B4 59.2(5) . . ?
B10 B5 B4 108.2(6) . . ?
C1 B5 B9 104.7(6) . . ?
B10 B5 B9 61.8(6) . . ?
B4 B5 B9 59.1(5) . . ?
C1 B5 B6 57.5(6) . . ?
B10 B5 B6 59.5(6) . . ?
B4 B5 B6 107.2(7) . . ?
B9 B5 B6 108.6(6) . . ?
C7 C6 C5 122.7(7) . . ?
C1 B6 B2 60.4(7) . . ?
C1 B6 B10 105.1(7) . . ?
B2 B6 B10 108.8(7) . . ?
C1 B6 B11 107.0(8) . . ?
B2 B6 B11 61.0(6) . . ?
B10 B6 B11 59.9(6) . . ?
C1 B6 B5 58.9(5) . . ?
B2 B6 B5 109.7(8) . . ?
B10 B6 B5 59.7(5) . . ?
B11 B6 B5 108.6(7) . . ?
C8 C7 C6 118.8(7) . . ?
C8 C7 C12 120.6(7) . . ?
C6 C7 C12 120.5(7) . . ?
B3 B7 B8 60.5(6) . . ?
B3 B7 B2 58.9(7) . . ?
B8 B7 B2 107.6(6) . . ?
B3 B7 B12 108.0(6) . . ?
B8 B7 B12 60.6(5) . . ?
B2 B7 B12 107.0(7) . . ?
B3 B7 B11 106.8(6) . . ?
B8 B7 B11 108.2(6) . . ?
B2 B7 B11 59.4(7) . . ?
B12 B7 B11 59.6(5) . . ?
B3 B7 Ag2 159.8(7) . . ?
B8 B7 Ag2 105.8(5) . . ?
B2 B7 Ag2 140.9(6) . . ?
B12 B7 Ag2 73.1(4) . . ?
B11 B7 Ag2 91.2(4) . . ?
C7 C8 C9 121.0(6) . . ?
B7 B8 B3 59.6(5) . . ?
B7 B8 B4 108.5(6) . . ?
B3 B8 B4 61.2(5) . . ?
B7 B8 B12 60.1(5) . . ?
B3 B8 B12 106.9(7) . . ?
B4 B8 B12 106.1(6) . . ?
B7 B8 B9 108.4(6) . . ?
B3 B8 B9 107.1(6) . . ?
B4 B8 B9 57.8(5) . . ?
B12 B8 B9 60.1(5) . . ?
C4 C9 C8 117.9(6) . . ?
C4 C9 C11 121.6(6) . . ?
C8 C9 C11 120.5(6) . . ?
B4 B9 B5 60.2(5) . . ?
B4 B9 B8 60.8(5) . . ?
B5 B9 B8 108.3(6) . . ?
B4 B9 B12 108.3(6) . . ?
B5 B9 B12 107.0(6) . . ?
B8 B9 B12 59.9(5) . . ?
B4 B9 B10 106.8(7) . . ?
B5 B9 B10 58.9(5) . . ?
B8 B9 B10 106.5(6) . . ?
B12 B9 B10 58.9(5) . . ?
B6 B10 B11 60.3(6) . . ?
B6 B10 B5 60.9(6) . . ?
B11 B10 B5 110.0(8) . . ?
B6 B10 B12 108.3(7) . . ?
B11 B10 B12 60.8(5) . . ?
B5 B10 B12 108.5(6) . . ?
B6 B10 B9 107.7(7) . . ?
B11 B10 B9 109.3(6) . . ?
B5 B10 B9 59.3(5) . . ?
B12 B10 B9 60.4(5) . . ?
B10 B11 B6 59.8(6) . . ?
B10 B11 B2 107.1(6) . . ?
B6 B11 B2 59.0(7) . . ?
B10 B11 B12 60.2(6) . . ?
B6 B11 B12 107.4(6) . . ?
B2 B11 B12 107.4(7) . . ?
B10 B11 B7 107.6(6) . . ?
B6 B11 B7 106.7(7) . . ?
B2 B11 B7 59.7(6) . . ?
B12 B11 B7 59.8(5) . . ?
B10 B12 B11 59.0(6) . . ?
B10 B12 B7 107.4(7) . . ?
B11 B12 B7 60.6(6) . . ?
B10 B12 B8 108.0(6) . . ?
B11 B12 B8 108.0(7) . . ?
B7 B12 B8 59.3(5) . . ?
B10 B12 B9 60.7(5) . . ?
B11 B12 B9 108.2(6) . . ?
B7 B12 B9 107.7(6) . . ?
B8 B12 B9 60.0(5) . . ?
B10 B12 Ag2 141.3(6) . . ?
B11 B12 Ag2 88.8(4) . . ?
B7 B12 Ag2 67.8(3) . . ?
B8 B12 Ag2 101.8(4) . . ?
B9 B12 Ag2 157.8(6) . . ?
C14 C13 C18 121.8(5) . . ?
C14 C13 N2 119.2(5) . . ?
C18 C13 N2 119.1(5) . . ?
C15 C14 C13 117.5(6) . . ?
C15 C14 C20 121.2(6) . . ?
C13 C14 C20 121.3(6) . . ?
C16 C15 C14 122.2(6) . . ?
C15 C16 C17 119.0(6) . . ?
C15 C16 C21 120.5(6) . . ?
C17 C16 C21 120.5(6) . . ?
C18 C17 C16 121.4(6) . . ?
C17 C18 C13 118.1(6) . . ?
C17 C18 C19 120.8(6) . . ?
C13 C18 C19 121.1(6) . . ?
B22 B21 B23 61(2) . . ?
B22 B21 B24 109(3) . . ?
B23 B21 B24 64.3(16) . . ?
B22 B21 B25 104(2) . . ?
B23 B21 B25 106.4(18) . . ?
B24 B21 B25 54.6(13) . . ?
B22 B21 B26 59(2) . . ?
B23 B21 B26 109.2(17) . . ?
B24 B21 B26 105.9(17) . . ?
B25 B21 B26 59.8(13) . . ?
N3 C22 N4 104.1(5) . . ?
N3 C22 Ag1 129.8(4) . . ?
N4 C22 Ag1 125.8(4) . . ?
B21 B22 B26 64(3) . . ?
B21 B22 B23 61(2) . . ?
B26 B22 B23 113(3) . . ?
B21 B22 B31 113(4) . . ?
B26 B22 B31 63(3) . . ?
B23 B22 B31 109(3) . . ?
B21 B22 B27 110(3) . . ?
B26 B22 B27 112(3) . . ?
B23 B22 B27 60(2) . . ?
B31 B22 B27 59(2) . . ?
C24 C23 N4 105.7(6) . . ?
B21 B23 B22 58(2) . . ?
B21 B23 B27 109.2(16) . . ?
B22 B23 B27 62(2) . . ?
B21 B23 B28 106.0(15) . . ?
B22 B23 B28 106(2) . . ?
B27 B23 B28 59.3(15) . . ?
B21 B23 B24 58.0(15) . . ?
B22 B23 B24 102(3) . . ?
B27 B23 B24 105.6(14) . . ?
B28 B23 B24 58.2(11) . . ?
C23 C24 N3 107.8(6) . . ?
B25 B24 B21 62.7(14) . . ?
B25 B24 B28 107.4(16) . . ?
B21 B24 B28 107.1(14) . . ?
B25 B24 B29 60.9(13) . . ?
B21 B24 B29 112.3(18) . . ?
B28 B24 B29 60.7(12) . . ?
B25 B24 B23 107.3(14) . . ?
B21 B24 B23 57.6(10) . . ?
B28 B24 B23 59.9(14) . . ?
B29 B24 B23 109.9(14) . . ?
C30 C25 C26 122.4(6) . . ?
C30 C25 N3 118.9(6) . . ?
C26 C25 N3 118.5(5) . . ?
B24 B25 B29 65.3(12) . . ?
B24 B25 B21 62.7(13) . . ?
B29 B25 B21 115.9(16) . . ?
B24 B25 B30 113.7(13) . . ?
B29 B25 B30 59.7(11) . . ?
B21 B25 B30 113.3(14) . . ?
B24 B25 B26 114.3(12) . . ?
B29 B25 B26 113.5(14) . . ?
B21 B25 B26 61.8(12) . . ?
B30 B25 B26 63.0(12) . . ?
C27 C26 C25 117.2(6) . . ?
C27 C26 C31 120.1(6) . . ?
C25 C26 C31 122.7(6) . . ?
B22 B26 B25 102(2) . . ?
B22 B26 B21 57(2) . . ?
B25 B26 B21 58.4(14) . . ?
B22 B26 B31 59(2) . . ?
B25 B26 B31 103.2(12) . . ?
B21 B26 B31 104.5(14) . . ?
B22 B26 B30 107(2) . . ?
B25 B26 B30 58.2(9) . . ?
B21 B26 B30 106.6(15) . . ?
B31 B26 B30 60.3(13) . . ?
C26 C27 C28 121.5(7) . . ?
B31 B27 B23 107.3(14) . . ?
B31 B27 B28 106.3(14) . . ?
B23 B27 B28 61.8(15) . . ?
B31 B27 B32 59.1(13) . . ?
B23 B27 B32 108.8(13) . . ?
B28 B27 B32 59.1(12) . . ?
B31 B27 B22 58(2) . . ?
B23 B27 B22 58(2) . . ?
B28 B27 B22 105(2) . . ?
B32 B27 B22 104(2) . . ?
B31 B27 Ag2 151.2(15) . . ?
B23 B27 Ag2 99.7(14) . . ?
B28 B27 Ag2 77.7(11) . . ?
B32 B27 Ag2 103.0(11) . . ?
B22 B27 Ag2 149(2) . . ?
C29 C28 C27 118.6(7) . . ?
C29 C28 C33 121.6(8) . . ?
C27 C28 C33 119.8(8) . . ?
B32 B28 B27 60.7(16) . . ?
B32 B28 B24 106.8(16) . . ?
B27 B28 B24 108.3(13) . . ?
B32 B28 B29 60.1(11) . . ?
B27 B28 B29 110.2(17) . . ?
B24 B28 B29 60.0(12) . . ?
B32 B28 B23 107.8(15) . . ?
B27 B28 B23 59.0(11) . . ?
B24 B28 B23 61.9(14) . . ?
B29 B28 B23 110.9(15) . . ?
C28 C29 C30 123.3(7) . . ?
B25 B29 B30 60.9(13) . . ?
B25 B29 B32 104.1(14) . . ?
B30 B29 B32 60.1(12) . . ?
B25 B29 B24 53.8(11) . . ?
B30 B29 B24 105.3(14) . . ?
B32 B29 B24 104.8(13) . . ?
B25 B29 B28 100.8(13) . . ?
B30 B29 B28 106.6(14) . . ?
B32 B29 B28 58.3(12) . . ?
B24 B29 B28 59.2(12) . . ?
C29 C30 C25 116.9(6) . . ?
C29 C30 C32 121.8(7) . . ?
C25 C30 C32 121.3(7) . . ?
B29 B30 B25 59.4(12) . . ?
B29 B30 B32 61.4(11) . . ?
B25 B30 B32 104.0(13) . . ?
B29 B30 B31 107.9(14) . . ?
B25 B30 B31 102.8(11) . . ?
B32 B30 B31 57.8(12) . . ?
B29 B30 B26 109.7(14) . . ?
B25 B30 B26 58.8(11) . . ?
B32 B30 B26 106.2(13) . . ?
B31 B30 B26 59.1(13) . . ?
B32 B31 B22 109(2) . . ?
B32 B31 B27 61.4(13) . . ?
B22 B31 B27 62(2) . . ?
B32 B31 B26 108.5(13) . . ?
B22 B31 B26 58(2) . . ?
B27 B31 B26 109.7(12) . . ?
B32 B31 B30 59.1(9) . . ?
B22 B31 B30 106(2) . . ?
B27 B31 B30 109.0(12) . . ?
B26 B31 B30 60.6(12) . . ?
B31 B32 B30 63.1(14) . . ?
B31 B32 B28 107.5(13) . . ?
B30 B32 B28 107.8(14) . . ?
B31 B32 B27 59.5(11) . . ?
B30 B32 B27 110.7(13) . . ?
B28 B32 B27 60.2(13) . . ?
B31 B32 B29 109.9(15) . . ?
B30 B32 B29 58.5(12) . . ?
B28 B32 B29 61.5(12) . . ?
B27 B32 B29 110.9(14) . . ?
B31 B32 Ag2 80.9(9) . 3_655 ?
B30 B32 Ag2 108.1(13) . 3_655 ?
B28 B32 Ag2 142.8(15) . 3_655 ?
B27 B32 Ag2 98.0(11) . 3_655 ?
B29 B32 Ag2 150.8(12) . 3_655 ?
B31 B32 Ag2 104.3(13) . . ?
B30 B32 Ag2 156.0(10) . . ?
B28 B32 Ag2 54.2(11) . . ?
B27 B32 Ag2 48.3(9) . . ?
B29 B32 Ag2 113.3(11) . . ?
Ag2 B32 Ag2 88.6(6) 3_655 . ?
C35 C34 C39 122.7(6) . . ?
C35 C34 N4 118.9(5) . . ?
C39 C34 N4 118.4(6) . . ?
C36 C35 C34 117.5(6) . . ?
C36 C35 C40 120.6(7) . . ?
C34 C35 C40 121.9(6) . . ?
C35 C36 C37 122.5(7) . . ?
C38 C37 C36 118.3(7) . . ?
C38 C37 C42 119.9(7) . . ?
C36 C37 C42 121.8(8) . . ?
C37 C38 C39 122.7(6) . . ?
C38 C39 C34 116.4(7) . . ?
C38 C39 C41 121.8(7) . . ?
C34 C39 C41 121.8(7) . . ?
B44 B41 B42 115.8(16) . . ?
B44 B41 B45 61.9(16) . . ?
B42 B41 B45 115.2(16) . . ?
B44 B41 B43 64.3(13) . . ?
B42 B41 B43 62.4(12) . . ?
B45 B41 B43 115.3(18) . . ?
B44 B41 B46 115.3(18) . . ?
B42 B41 B46 60.9(17) . . ?
B45 B41 B46 64.7(14) . . ?
B43 B41 B46 113.2(19) . . ?
B41 B42 B46 61.7(18) . . ?
B41 B42 B43 60.5(13) . . ?
B46 B42 B43 112.3(19) . . ?
B41 B42 B51 107.0(14) . . ?
B46 B42 B51 61.4(12) . . ?
B43 B42 B51 107.1(15) . . ?
B41 B42 B47 106.6(17) . . ?
B46 B42 B47 109.5(15) . . ?
B43 B42 B47 59.8(12) . . ?
B51 B42 B47 57.9(15) . . ?
B41 B43 B42 57.1(12) . . ?
B41 B43 B48 105.7(15) . . ?
B42 B43 B48 110.0(13) . . ?
B41 B43 B44 55.6(14) . . ?
B42 B43 B44 104.2(15) . . ?
B48 B43 B44 62.2(13) . . ?
B41 B43 B47 106.5(14) . . ?
B42 B43 B47 63.1(13) . . ?
B48 B43 B47 60.1(12) . . ?
B44 B43 B47 108.7(15) . . ?
B41 B44 B45 60.9(19) . . ?
B41 B44 B43 60.1(13) . . ?
B45 B44 B43 111.0(19) . . ?
B41 B44 B49 108.7(17) . . ?
B45 B44 B49 62.0(11) . . ?
B43 B44 B49 109.1(13) . . ?
B41 B44 B48 106.6(15) . . ?
B45 B44 B48 110.8(14) . . ?
B43 B44 B48 59.0(11) . . ?
B49 B44 B48 60.8(13) . . ?
B41 B45 B44 57.2(17) . . ?
B41 B45 B49 105.5(16) . . ?
B44 B45 B49 61.4(12) . . ?
B41 B45 B46 58.5(16) . . ?
B44 B45 B46 106.5(19) . . ?
B49 B45 B46 108.4(14) . . ?
B41 B45 B50 105.6(19) . . ?
B44 B45 B50 110.3(19) . . ?
B49 B45 B50 62.0(19) . . ?
B46 B45 B50 59.4(17) . . ?
B42 B46 B41 57.4(12) . . ?
B42 B46 B51 63.3(16) . . ?
B41 B46 B51 105.3(15) . . ?
B42 B46 B45 105.8(17) . . ?
B41 B46 B45 56.8(16) . . ?
B51 B46 B45 106.7(16) . . ?
B42 B46 B50 110(2) . . ?
B41 B46 B50 107(2) . . ?
B51 B46 B50 57.6(18) . . ?
B45 B46 B50 63(2) . . ?
B52 B47 B48 61.4(13) . . ?
B52 B47 B43 107.2(16) . . ?
B48 B47 B43 59.6(12) . . ?
B52 B47 B51 57.6(11) . . ?
B48 B47 B51 107.9(15) . . ?
B43 B47 B51 107.5(17) . . ?
B52 B47 B42 105.0(15) . . ?
B48 B47 B42 104.8(15) . . ?
B43 B47 B42 57.0(11) . . ?
B51 B47 B42 61.3(15) . . ?
B52 B47 Ag2 98.3(11) . . ?
B48 B47 Ag2 146.0(14) . . ?
B43 B47 Ag2 152.4(15) . . ?
B51 B47 Ag2 77.5(10) . . ?
B42 B47 Ag2 106.9(15) . . ?
B43 B48 B47 60.3(11) . . ?
B43 B48 B52 106.1(14) . . ?
B47 B48 B52 59.2(13) . . ?
B43 B48 B44 58.8(12) . . ?
B47 B48 B44 106.2(15) . . ?
B52 B48 B44 104.4(13) . . ?
B43 B48 B49 107.1(13) . . ?
B47 B48 B49 108.4(13) . . ?
B52 B48 B49 60.0(10) . . ?
B44 B48 B49 58.5(12) . . ?
B44 B49 B45 56.6(13) . . ?
B44 B49 B52 105.7(13) . . ?
B45 B49 B52 105.8(13) . . ?
B44 B49 B48 60.8(13) . . ?
B45 B49 B48 106.4(16) . . ?
B52 B49 B48 59.5(10) . . ?
B44 B49 B50 106.9(17) . . ?
B45 B49 B50 62.4(17) . . ?
B52 B49 B50 57.5(17) . . ?
B48 B49 B50 107.2(17) . . ?
B51 B50 B52 57.3(18) . . ?
B51 B50 B46 60.0(18) . . ?
B52 B50 B46 103(2) . . ?
B51 B50 B49 104(2) . . ?
B52 B50 B49 58.4(18) . . ?
B46 B50 B49 102(2) . . ?
B51 B50 B45 104(2) . . ?
B52 B50 B45 101(2) . . ?
B46 B50 B45 57.2(17) . . ?
B49 B50 B45 55.6(17) . . ?
B52 B51 B50 62.3(19) . . ?
B52 B51 B47 60.8(14) . . ?
B50 B51 B47 113(2) . . ?
B52 B51 B46 108.6(13) . . ?
B50 B51 B46 62.5(17) . . ?
B47 B51 B46 106.8(15) . . ?
B52 B51 B42 107.0(12) . . ?
B50 B51 B42 108(2) . . ?
B47 B51 B42 60.8(10) . . ?
B46 B51 B42 55.3(16) . . ?
B51 B52 B47 61.5(14) . . ?
B51 B52 B50 60.4(17) . . ?
B47 B52 B50 111.8(19) . . ?
B51 B52 B48 109.6(13) . . ?
B47 B52 B48 59.5(11) . . ?
B50 B52 B48 113.3(19) . . ?
B51 B52 B49 110.4(13) . . ?
B47 B52 B49 109.0(13) . . ?
B50 B52 B49 64(2) . . ?
B48 B52 B49 60.4(12) . . ?
B51 B52 Ag2 57.4(13) . . ?
B47 B52 Ag2 51.3(10) . . ?
B50 B52 Ag2 114(2) . . ?
B48 B52 Ag2 105.7(11) . . ?
B49 B52 Ag2 159.4(12) . . ?
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 C22 2.069(6) . ?
Ag1 C1A 2.070(5) . ?
N1 C1A 1.366(7) . ?
N1 C2 1.375(7) . ?
N1 C4 1.450(7) . ?
C1 B6 1.647(15) . ?
C1 B5 1.672(11) . ?
C1 B3 1.681(13) . ?
C1 B4 1.679(12) . ?
C1 B2 1.694(12) . ?
C1A N2 1.355(7) . ?
Ag2 H47 2.0487 . ?
Ag2 H27 2.0940 . ?
Ag2 B7 2.586(8) . ?
Ag2 B32 2.676(18) 3_655 ?
Ag2 B12 2.673(8) . ?
Ag2 B47 2.70(2) . ?
Ag2 B27 2.73(2) . ?
Ag2 B52 2.79(2) 3_655 ?
Ag2 H52 3.4015 . ?
Ag2 B52 3.42(3) . ?
Ag2 B32 3.57(2) . ?
Ag2 H32 3.6110 . ?
N2 C3 1.396(7) . ?
N2 C13 1.437(7) . ?
C2 C3 1.349(9) . ?
B2 B6 1.716(19) . ?
B2 B3 1.720(18) . ?
B2 B11 1.752(18) . ?
B2 B7 1.757(13) . ?
N3 C22 1.358(7) . ?
N3 C24 1.383(7) . ?
N3 C25 1.441(8) . ?
B3 B7 1.742(12) . ?
B3 B8 1.759(15) . ?
B3 B4 1.792(13) . ?
N4 C22 1.365(7) . ?
N4 C23 1.394(8) . ?
N4 C34 1.450(8) . ?
C4 C9 1.374(8) . ?
C4 C5 1.407(9) . ?
B4 B9 1.707(12) . ?
B4 B5 1.728(11) . ?
B4 B8 1.761(11) . ?
C5 C6 1.389(10) . ?
C5 C10 1.508(10) . ?
B5 B10 1.730(12) . ?
B5 B9 1.736(12) . ?
B5 B6 1.751(12) . ?
C6 C7 1.385(10) . ?
B6 B10 1.726(17) . ?
B6 B11 1.735(12) . ?
C7 C8 1.384(9) . ?
C7 C12 1.519(10) . ?
B7 B8 1.749(12) . ?
B7 B12 1.762(11) . ?
B7 B11 1.778(13) . ?
C8 C9 1.405(8) . ?
B8 B12 1.770(12) . ?
B8 B9 1.772(13) . ?
C9 C11 1.506(8) . ?
B9 B12 1.774(11) . ?
B9 B10 1.780(14) . ?
B10 B11 1.727(15) . ?
B10 B12 1.748(12) . ?
B11 B12 1.759(13) . ?
C13 C14 1.395(8) . ?
C13 C18 1.404(8) . ?
C14 C15 1.383(8) . ?
C14 C20 1.507(8) . ?
C15 C16 1.374(9) . ?
C16 C17 1.390(9) . ?
C16 C21 1.514(9) . ?
C17 C18 1.375(9) . ?
C18 C19 1.519(9) . ?
B21 B22 1.67(6) . ?
B21 B23 1.71(2) . ?
B21 B24 1.72(4) . ?
B21 B25 1.72(3) . ?
B21 B26 1.78(3) . ?
B22 B26 1.69(7) . ?
B22 B23 1.72(6) . ?
B22 B31 1.71(6) . ?
B22 B27 1.78(6) . ?
C23 C24 1.346(10) . ?
B23 B27 1.74(3) . ?
B23 B28 1.79(3) . ?
B23 B24 1.83(3) . ?
B24 B25 1.58(3) . ?
B24 B28 1.76(3) . ?
B24 B29 1.78(3) . ?
C25 C30 1.395(8) . ?
C25 C26 1.405(9) . ?
B25 B29 1.71(3) . ?
B25 B30 1.73(3) . ?
B25 B26 1.75(3) . ?
C26 C27 1.392(9) . ?
C26 C31 1.499(8) . ?
B26 B31 1.79(3) . ?
B26 B30 1.82(2) . ?
C27 C28 1.395(10) . ?
B27 B31 1.73(3) . ?
B27 B28 1.75(3) . ?
B27 B32 1.76(3) . ?
C28 C29 1.362(10) . ?
C28 C33 1.515(10) . ?
B28 B32 1.73(3) . ?
B28 B29 1.79(3) . ?
C29 C30 1.383(10) . ?
B29 B30 1.71(3) . ?
B29 B32 1.76(3) . ?
C30 C32 1.506(10) . ?
B30 B32 1.74(3) . ?
B30 B31 1.81(3) . ?
B31 B32 1.72(3) . ?
B32 Ag2 2.676(18) 3_655 ?
C34 C35 1.387(9) . ?
C34 C39 1.399(9) . ?
C35 C36 1.369(9) . ?
C35 C40 1.516(9) . ?
C36 C37 1.385(9) . ?
C37 C38 1.366(11) . ?
C37 C42 1.523(10) . ?
C38 C39 1.392(10) . ?
C39 C41 1.495(10) . ?
B41 B44 1.59(4) . ?
B41 B42 1.61(3) . ?
B41 B45 1.65(4) . ?
B41 B43 1.67(3) . ?
B41 B46 1.69(4) . ?
B42 B46 1.67(3) . ?
B42 B43 1.70(3) . ?
B42 B51 1.82(3) . ?
B42 B47 1.81(3) . ?
B43 B48 1.74(3) . ?
B43 B44 1.74(3) . ?
B43 B47 1.75(3) . ?
B44 B45 1.67(3) . ?
B44 B49 1.76(3) . ?
B44 B48 1.80(3) . ?
B45 B49 1.77(3) . ?
B45 B46 1.79(4) . ?
B45 B50 1.90(5) . ?
B46 B51 1.79(4) . ?
B46 B50 1.83(4) . ?
B47 B52 1.74(3) . ?
B47 B48 1.75(3) . ?
B47 B51 1.76(3) . ?
B48 B52 1.78(2) . ?
B48 B49 1.80(3) . ?
B49 B52 1.79(2) . ?
B49 B50 1.89(6) . ?
B50 B51 1.74(5) . ?
B50 B52 1.77(5) . ?
B51 B52 1.69(3) . ?
