#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:24:46 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179577 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/42/4504215.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_4504215
loop_
_publ_author_name
'Cunha-Silva, Luís'
'Ahmad, Ruksanna'
'Carr, Michael J.'
'Franken, Andreas'
'Kennedy, John D.'
'Hardie, Michaele J.'
_publ_section_title
;
 One-Dimensional Coordination Polymers with Phenyl-carbaborane
 Anions:  Ag(I)/4,4‘-Bipyridine and
 2,3-Bis-(2-pyridyl)pyrazine Complexes
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              658
_journal_paper_doi               10.1021/cg070048p
_journal_volume                  7
_journal_year                    2007
_chemical_formula_sum            'C58 H63 Ag2 B22 Br2 N13'
_chemical_formula_weight         1555.59
_chemical_name_systematic
; 
 [tri(2,3-bis(2-pyridyl)pyrazine)disilver(I)](1-(4-bromophenyl)-closo-1-monocarbadodecaborane) acetonitrile clathrate
;
_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                98.978(1)
_cell_angle_beta                 92.003(1)
_cell_angle_gamma                106.649(1)
_cell_formula_units_Z            2
_cell_length_a                   12.2071(1)
_cell_length_b                   12.8065(1)
_cell_length_c                   23.8761(3)
_cell_measurement_temperature    150(2)
_cell_volume                     3519.73(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  CCD
_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  0.0973
_diffrn_reflns_av_sigmaI/netI    0.0866
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            62897
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         2.60
_exptl_absorpt_coefficient_mu    1.740
_exptl_absorpt_correction_T_max  0.9660
_exptl_absorpt_correction_T_min  0.5974
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.600
_refine_diff_density_min         -1.155
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     878
_refine_ls_number_reflns         17162
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0958
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0780P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1240
_refine_ls_wR_factor_ref         0.1441
_reflns_number_gt                11439
_reflns_number_total             17162
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg070048psi20070116_115359.cif
_cod_data_source_block           c:\_complex_5
_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.

'_exptl_absorpt_correction_type' value 'multiscan'
changed to 'multi-scan' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4504215
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
Ag1 Ag 0.36909(2) 0.48571(2) 0.408466(11) 0.02634(9) Uani 1 1 d .
Br1 Br 0.38104(6) 0.93648(5) 0.33122(2) 0.0744(2) Uani 1 1 d .
N1 N 0.5761(3) 0.6438(3) -0.03461(13) 0.0281(7) Uani 1 1 d .
C1 C 0.5424(4) 0.7162(3) -0.06020(19) 0.0400(10) Uani 1 1 d .
H1 H 0.5138 0.6943 -0.0991 0.048 Uiso 1 1 calc R
B1 B -0.0121(3) 0.8061(3) 0.54604(19) 0.0263(9) Uani 1 1 d .
H1A H -0.0699 0.7962 0.5069 0.032 Uiso 1 1 calc R
Ag2 Ag 0.38485(2) 0.51337(2) 0.088211(12) 0.02946(9) Uani 1 1 d .
Br2 Br -0.31180(4) 1.14724(4) 0.14374(2) 0.04267(12) Uani 1 1 d .
N2 N 0.6880(3) 0.5166(3) 0.00888(13) 0.0280(7) Uani 1 1 d .
C2 C 0.5467(4) 0.8207(4) -0.0336(2) 0.0486(12) Uani 1 1 d .
H2 H 0.5210 0.8694 -0.0534 0.058 Uiso 1 1 calc R
B2 B 0.0793(4) 0.9384(3) 0.5803(2) 0.0290(10) Uani 1 1 d .
H2A H 0.0814 1.0157 0.5634 0.035 Uiso 1 1 calc R
N3 N 0.7112(3) 0.5163(3) 0.12511(14) 0.0295(7) Uani 1 1 d .
C3 C 0.5891(4) 0.8527(4) 0.0224(2) 0.0488(12) Uani 1 1 d .
H3 H 0.5918 0.9237 0.0424 0.059 Uiso 1 1 calc R
B3 B 0.2058(4) 0.9188(4) 0.61068(19) 0.0306(10) Uani 1 1 d .
H3A H 0.2911 0.9833 0.6141 0.037 Uiso 1 1 calc R
C11 C 0.7025(3) 0.7253(3) 0.19455(16) 0.0311(9) Uani 1 1 d .
H11 H 0.7798 0.7237 0.1972 0.037 Uiso 1 1 calc R
C4 C 0.6279(4) 0.7804(3) 0.04940(18) 0.0356(9) Uani 1 1 d .
H4 H 0.6613 0.8028 0.0875 0.043 Uiso 1 1 calc R
B4 B 0.1917(4) 0.7744(4) 0.59508(19) 0.0297(10) Uani 1 1 d .
H4A H 0.2681 0.7437 0.5880 0.036 Uiso 1 1 calc R
N5 N 0.2143(3) 0.4325(2) 0.12828(13) 0.0263(7) Uani 1 1 d .
C5 C 0.6177(3) 0.6749(3) 0.02024(15) 0.0232(7) Uani 1 1 d .
B5 B 0.0578(4) 0.7057(3) 0.5555(2) 0.0284(9) Uani 1 1 d .
H5 H 0.0461 0.6301 0.5225 0.034 Uiso 1 1 calc R
N6 N 0.4145(3) 0.4316(3) 0.19138(14) 0.0331(8) Uani 1 1 d .
C6 C 0.6563(3) 0.5907(3) 0.04620(15) 0.0220(7) Uani 1 1 d .
B6 B 0.0948(4) 0.9362(4) 0.6541(2) 0.0331(10) Uani 1 1 d .
H6 H 0.1067 1.0124 0.6868 0.040 Uiso 1 1 calc R
N7 N 0.4451(3) 0.5425(3) 0.30376(13) 0.0308(7) Uani 1 1 d .
C7 C 0.7321(4) 0.4451(4) 0.03001(17) 0.0363(10) Uani 1 1 d .
H7 H 0.7539 0.3911 0.0046 0.044 Uiso 1 1 calc R
B7 B 0.1660(4) 0.8343(4) 0.6632(2) 0.0329(10) Uani 1 1 d .
H7A H 0.2251 0.8429 0.7017 0.039 Uiso 1 1 calc R
N8 N 0.2406(2) 0.5460(2) 0.35498(13) 0.0255(7) Uani 1 1 d .
C8 C 0.7464(3) 0.4477(3) 0.08685(17) 0.0351(9) Uani 1 1 d .
H8 H 0.7830 0.3987 0.1000 0.042 Uiso 1 1 calc R
B8 B 0.0741(4) 0.7029(4) 0.62931(19) 0.0315(10) Uani 1 1 d .
H8A H 0.0721 0.6251 0.6456 0.038 Uiso 1 1 calc R
N9 N 0.3954(2) 0.3269(2) 0.36103(13) 0.0256(7) Uani 1 1 d .
C9 C 0.6653(3) 0.5873(3) 0.10444(15) 0.0225(7) Uani 1 1 d .
B9 B -0.0517(4) 0.7232(3) 0.59920(19) 0.0295(10) Uani 1 1 d .
H9 H -0.1369 0.6585 0.5956 0.035 Uiso 1 1 calc R
N10 N 0.6864(3) 0.4408(2) 0.37893(13) 0.0258(7) Uani 1 1 d .
C10 C 0.6267(3) 0.6608(3) 0.14940(15) 0.0233(8) Uani 1 1 d .
B10 B -0.0393(4) 0.8676(3) 0.6147(2) 0.0303(10) Uani 1 1 d .
H10 H -0.1159 0.8983 0.6212 0.036 Uiso 1 1 calc R
N11 N 0.6735(2) 0.4628(2) 0.49613(13) 0.0245(7) Uani 1 1 d .
N14 N 0.5149(3) 0.6574(3) 0.14430(13) 0.0279(7) Uani 1 1 d .
B11 B 0.0144(4) 0.8040(4) 0.66593(19) 0.0290(9) Uani 1 1 d .
H11A H -0.0270 0.7929 0.7066 0.035 Uiso 1 1 calc R
N12 N 0.5220(2) 0.6323(2) 0.45790(13) 0.0233(6) Uani 1 1 d .
C12 C 0.4792(4) 0.7233(3) 0.18443(18) 0.0382(10) Uani 1 1 d .
H12 H 0.4014 0.7232 0.1812 0.046 Uiso 1 1 calc R
B12 B 0.1671(4) 0.9268(4) 0.1535(2) 0.0323(10) Uani 1 1 d .
H12A H 0.1939 1.0058 0.1851 0.039 Uiso 1 1 calc R
N13 N 0.8265(4) 0.6570(6) 0.3065(3) 0.0820(19) Uani 1 1 d .
C13 C 0.5508(4) 0.7912(4) 0.23038(19) 0.0446(11) Uani 1 1 d .
H13 H 0.5225 0.8367 0.2579 0.054 Uiso 1 1 calc R
B13 B 0.1597(4) 0.9266(4) 0.0785(2) 0.0312(10) Uani 1 1 d .
H13A H 0.1818 1.0053 0.0607 0.037 Uiso 1 1 calc R
C14 C 0.6645(4) 0.7918(3) 0.23554(18) 0.0398(10) Uani 1 1 d .
H14 H 0.7152 0.8372 0.2667 0.048 Uiso 1 1 calc R
B14 B 0.0466(4) 0.8088(4) 0.04654(18) 0.0289(10) Uani 1 1 d .
H14A H -0.0064 0.8098 0.0074 0.035 Uiso 1 1 calc R
C15 C 0.1154(3) 0.3903(3) 0.09513(17) 0.0313(9) Uani 1 1 d .
H15 H 0.1146 0.4009 0.0566 0.038 Uiso 1 1 calc R
B15 B -0.0157(4) 0.7370(3) 0.1012(2) 0.0311(10) Uani 1 1 d .
H15A H -0.1094 0.6912 0.0982 0.037 Uiso 1 1 calc R
C16 C 0.0141(3) 0.3317(3) 0.11475(18) 0.0364(10) Uani 1 1 d .
H16 H -0.0547 0.3031 0.0903 0.044 Uiso 1 1 calc R
B16 B 0.0598(4) 0.8087(4) 0.16686(19) 0.0323(10) Uani 1 1 d .
H16A H 0.0161 0.8096 0.2073 0.039 Uiso 1 1 calc R
C17 C 0.0160(3) 0.3160(3) 0.17059(19) 0.0400(10) Uani 1 1 d .
H17 H -0.0516 0.2749 0.1849 0.048 Uiso 1 1 calc R
B17 B 0.2665(4) 0.8792(4) 0.1100(2) 0.0371(11) Uani 1 1 d .
H17A H 0.3598 0.9262 0.1129 0.044 Uiso 1 1 calc R
C18 C 0.1162(3) 0.3603(3) 0.20561(18) 0.0365(10) Uani 1 1 d .
H18 H 0.1182 0.3524 0.2445 0.044 Uiso 1 1 calc R
B18 B 0.1895(4) 0.8062(4) 0.0442(2) 0.0331(10) Uani 1 1 d .
H18A H 0.2323 0.8049 0.0034 0.040 Uiso 1 1 calc R
C19 C 0.2147(3) 0.4170(3) 0.18239(15) 0.0251(8) Uani 1 1 d .
B19 B 0.0813(4) 0.6891(4) 0.05811(19) 0.0305(10) Uani 1 1 d .
H19 H 0.0524 0.6101 0.0265 0.037 Uiso 1 1 calc R
C20 C 0.3282(3) 0.4589(3) 0.21736(16) 0.0270(8) Uani 1 1 d .
B20 B 0.0895(4) 0.6890(4) 0.1326(2) 0.0323(10) Uani 1 1 d .
H20 H 0.0662 0.6101 0.1502 0.039 Uiso 1 1 calc R
C21 C 0.5139(3) 0.4589(4) 0.22234(18) 0.0395(10) Uani 1 1 d .
H21 H 0.5772 0.4416 0.2053 0.047 Uiso 1 1 calc R
B21 B 0.2040(4) 0.8067(4) 0.1651(2) 0.0345(11) Uani 1 1 d .
H21A H 0.2567 0.8064 0.2044 0.041 Uiso 1 1 calc R
C22 C 0.5292(3) 0.5114(4) 0.27815(17) 0.0370(10) Uani 1 1 d .
H22 H 0.6012 0.5258 0.2990 0.044 Uiso 1 1 calc R
B22 B 0.2178(4) 0.7316(4) 0.09766(18) 0.0291(9) Uani 1 1 d .
H22A H 0.2792 0.6811 0.0925 0.035 Uiso 1 1 calc R
C23 C 0.3444(3) 0.5178(3) 0.27262(15) 0.0249(8) Uani 1 1 d .
C24 C 0.2553(3) 0.5609(3) 0.30125(16) 0.0251(8) Uani 1 1 d .
C25 C 0.1954(3) 0.6174(3) 0.27336(17) 0.0311(9) Uani 1 1 d .
H25 H 0.2092 0.6282 0.2354 0.037 Uiso 1 1 calc R
C26 C 0.1155(3) 0.6578(3) 0.30170(19) 0.0375(10) Uani 1 1 d .
H26 H 0.0739 0.6975 0.2837 0.045 Uiso 1 1 calc R
C27 C 0.0969(3) 0.6399(3) 0.35637(18) 0.0338(9) Uani 1 1 d .
H27 H 0.0410 0.6653 0.3764 0.041 Uiso 1 1 calc R
C28 C 0.1610(3) 0.5842(3) 0.38144(17) 0.0307(9) Uani 1 1 d .
H28 H 0.1483 0.5723 0.4193 0.037 Uiso 1 1 calc R
C29 C 0.3125(4) 0.2666(3) 0.32071(17) 0.0362(10) Uani 1 1 d .
H29 H 0.2377 0.2747 0.3232 0.043 Uiso 1 1 calc R
C30 C 0.3310(4) 0.1938(4) 0.27606(19) 0.0469(12) Uani 1 1 d .
H30 H 0.2699 0.1520 0.2485 0.056 Uiso 1 1 calc R
C31 C 0.4399(4) 0.1821(3) 0.27180(18) 0.0439(11) Uani 1 1 d .
H31 H 0.4555 0.1338 0.2408 0.053 Uiso 1 1 calc R
C32 C 0.5249(4) 0.2419(3) 0.31339(16) 0.0325(9) Uani 1 1 d .
H32 H 0.5999 0.2340 0.3120 0.039 Uiso 1 1 calc R
C33 C 0.5004(3) 0.3136(3) 0.35732(15) 0.0243(8) Uani 1 1 d .
C34 C 0.5922(3) 0.3831(3) 0.40106(15) 0.0216(7) Uani 1 1 d .
C35 C 0.7722(3) 0.5073(3) 0.41564(16) 0.0288(8) Uani 1 1 d .
H35 H 0.8406 0.5470 0.4013 0.035 Uiso 1 1 calc R
C36 C 0.7650(3) 0.5203(3) 0.47327(16) 0.0290(8) Uani 1 1 d .
H36 H 0.8267 0.5714 0.4976 0.035 Uiso 1 1 calc R
C37 C 0.5868(3) 0.3906(3) 0.46041(15) 0.0205(7) Uani 1 1 d .
C38 C 0.6041(3) 0.6894(3) 0.42945(17) 0.0306(9) Uani 1 1 d .
H38 H 0.6139 0.6567 0.3921 0.037 Uiso 1 1 calc R
C39 C 0.6756(4) 0.7938(3) 0.45173(18) 0.0371(10) Uani 1 1 d .
H39 H 0.7339 0.8318 0.4305 0.045 Uiso 1 1 calc R
C40 C 0.6600(4) 0.8411(3) 0.5053(2) 0.0446(11) Uani 1 1 d .
H40 H 0.7072 0.9131 0.5216 0.054 Uiso 1 1 calc R
C41 C 0.5753(3) 0.7834(3) 0.53542(17) 0.0320(9) Uani 1 1 d .
H41 H 0.5632 0.8158 0.5724 0.038 Uiso 1 1 calc R
C42 C 0.5082(3) 0.6777(3) 0.51112(15) 0.0211(7) Uani 1 1 d .
C43 C 0.1357(3) 0.8383(3) 0.54770(16) 0.0241(8) Uani 1 1 d .
C44 C 0.1929(3) 0.8577(3) 0.49374(16) 0.0279(8) Uani 1 1 d .
C45 C 0.1390(4) 0.8844(3) 0.44848(17) 0.0322(9) Uani 1 1 d .
H45 H 0.0626 0.8878 0.4507 0.039 Uiso 1 1 calc R
C46 C 0.1944(4) 0.9066(3) 0.39946(18) 0.0372(10) Uani 1 1 d .
H46 H 0.1563 0.9248 0.3687 0.045 Uiso 1 1 calc R
C47 C 0.3037(4) 0.9015(3) 0.39661(19) 0.0420(11) Uani 1 1 d .
C48 C 0.3612(4) 0.8752(4) 0.4401(2) 0.0518(13) Uani 1 1 d .
H48 H 0.4378 0.8724 0.4372 0.062 Uiso 1 1 calc R
C49 C 0.3050(4) 0.8527(4) 0.4888(2) 0.0459(11) Uani 1 1 d .
H49 H 0.3437 0.8337 0.5191 0.055 Uiso 1 1 calc R
C50 C 0.0386(3) 0.8798(3) 0.11340(15) 0.0234(7) Uani 1 1 d .
C51 C -0.0452(3) 0.9473(3) 0.12098(15) 0.0242(8) Uani 1 1 d .
C52 C -0.0866(3) 0.9839(3) 0.07519(16) 0.0299(8) Uani 1 1 d .
H52 H -0.0609 0.9671 0.0387 0.036 Uiso 1 1 calc R
C53 C -0.1641(3) 1.0441(3) 0.08131(17) 0.0324(9) Uani 1 1 d .
H53 H -0.1907 1.0694 0.0496 0.039 Uiso 1 1 calc R
C54 C -0.2026(3) 1.0671(3) 0.13441(17) 0.0295(8) Uani 1 1 d .
C55 C -0.1610(4) 1.0338(3) 0.18056(17) 0.0362(10) Uani 1 1 d .
H55 H -0.1868 1.0511 0.2170 0.043 Uiso 1 1 calc R
C56 C -0.0818(4) 0.9752(3) 0.17423(16) 0.0337(9) Uani 1 1 d .
H56 H -0.0522 0.9539 0.2065 0.040 Uiso 1 1 calc R
C57 C 0.8331(5) 0.5775(8) 0.2813(3) 0.072(2) Uani 1 1 d .
C58 C 0.8404(6) 0.4729(7) 0.2492(3) 0.088(2) Uani 1 1 d .
H58A H 0.7832 0.4111 0.2610 0.18(5) Uiso 1 1 calc R
H58B H 0.9173 0.4662 0.2565 0.16(4) Uiso 1 1 calc R
H58C H 0.8255 0.4716 0.2084 0.35(9) 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
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
N9 Ag1 N12 122.33(10) . .
N9 Ag1 N8 111.05(10) . .
N12 Ag1 N8 113.08(10) . .
N9 Ag1 N11 132.18(11) . 2_666
N12 Ag1 N11 69.52(10) . 2_666
N8 Ag1 N11 102.47(10) . 2_666
C1 N1 C5 118.3(3) . .
C1 N1 Ag2 121.4(3) . 2_665
C5 N1 Ag2 118.0(2) . 2_665
N1 C1 C2 123.9(4) . .
C43 B1 B5 59.4(2) . .
C43 B1 B9 105.3(3) . .
B5 B1 B9 59.8(2) . .
C43 B1 B10 104.8(3) . .
B5 B1 B10 108.1(3) . .
B9 B1 B10 60.3(2) . .
C43 B1 B2 58.4(2) . .
B5 B1 B2 107.9(3) . .
B9 B1 B2 107.7(3) . .
B10 B1 B2 59.5(2) . .
N14 Ag2 N5 116.54(10) . .
N14 Ag2 N2 132.70(11) . 2_665
N5 Ag2 N2 99.40(10) . 2_665
N14 Ag2 N1 125.91(10) . 2_665
N5 Ag2 N1 102.38(10) . 2_665
N2 Ag2 N1 68.94(10) 2_665 2_665
C7 N2 C6 117.5(3) . .
C7 N2 Ag2 122.4(2) . 2_665
C6 N2 Ag2 117.7(2) . 2_665
C3 C2 C1 118.0(4) . .
C43 B2 B6 105.6(3) . .
C43 B2 B10 105.8(3) . .
B6 B2 B10 60.0(3) . .
C43 B2 B3 59.0(2) . .
B6 B2 B3 60.0(3) . .
B10 B2 B3 108.2(3) . .
C43 B2 B1 59.0(2) . .
B6 B2 B1 108.1(3) . .
B10 B2 B1 60.2(2) . .
B3 B2 B1 108.1(3) . .
C8 N3 C9 116.2(3) . .
C2 C3 C4 119.3(4) . .
C43 B3 B7 105.2(3) . .
C43 B3 B6 105.1(3) . .
B7 B3 B6 60.8(3) . .
C43 B3 B2 58.7(2) . .
B7 B3 B2 108.3(3) . .
B6 B3 B2 59.7(3) . .
C43 B3 B4 58.8(2) . .
B7 B3 B4 59.5(3) . .
B6 B3 B4 107.8(3) . .
B2 B3 B4 107.4(3) . .
C14 C11 C10 119.2(4) . .
C3 C4 C5 119.4(4) . .
C43 B4 B7 105.6(3) . .
C43 B4 B8 106.0(3) . .
B7 B4 B8 60.6(3) . .
C43 B4 B5 59.4(2) . .
B7 B4 B5 108.6(3) . .
B8 B4 B5 60.1(2) . .
C43 B4 B3 58.9(2) . .
B7 B4 B3 59.9(3) . .
B8 B4 B3 108.4(3) . .
B5 B4 B3 108.4(3) . .
C19 N5 C15 118.2(3) . .
C19 N5 Ag2 121.6(2) . .
C15 N5 Ag2 119.8(2) . .
N1 C5 C4 121.1(3) . .
N1 C5 C6 115.7(3) . .
C4 C5 C6 123.1(3) . .
C43 B5 B9 105.3(3) . .
C43 B5 B1 59.1(2) . .
B9 B5 B1 60.1(2) . .
C43 B5 B8 105.3(3) . .
B9 B5 B8 60.2(3) . .
B1 B5 B8 108.5(3) . .
C43 B5 B4 58.9(2) . .
B9 B5 B4 107.9(3) . .
B1 B5 B4 108.2(3) . .
B8 B5 B4 59.8(3) . .
C21 N6 C20 116.2(3) . .
N2 C6 C9 119.7(3) . .
N2 C6 C5 114.9(3) . .
C9 C6 C5 125.3(3) . .
B11 B6 B2 108.0(3) . .
B11 B6 B10 60.1(2) . .
B2 B6 B10 60.1(3) . .
B11 B6 B3 107.9(3) . .
B2 B6 B3 60.3(3) . .
B10 B6 B3 108.5(3) . .
B11 B6 B7 60.1(3) . .
B2 B6 B7 107.6(3) . .
B10 B6 B7 108.1(3) . .
B3 B6 B7 59.5(3) . .
C22 N7 C23 116.6(3) . .
N2 C7 C8 121.6(4) . .
B4 B7 B3 60.6(2) . .
B4 B7 B8 59.8(3) . .
B3 B7 B8 108.4(3) . .
B4 B7 B11 107.7(3) . .
B3 B7 B11 107.3(3) . .
B8 B7 B11 60.2(2) . .
B4 B7 B6 107.9(3) . .
B3 B7 B6 59.7(3) . .
B8 B7 B6 107.6(3) . .
B11 B7 B6 59.2(2) . .
C24 N8 C28 117.6(3) . .
C24 N8 Ag1 122.3(2) . .
C28 N8 Ag1 119.2(3) . .
N3 C8 C7 122.6(4) . .
B4 B8 B5 60.1(2) . .
B4 B8 B9 107.7(3) . .
B5 B8 B9 59.7(3) . .
B4 B8 B7 59.6(2) . .
B5 B8 B7 107.9(3) . .
B9 B8 B7 108.1(3) . .
B4 B8 B11 107.3(3) . .
B5 B8 B11 107.6(3) . .
B9 B8 B11 60.0(3) . .
B7 B8 B11 60.0(2) . .
C29 N9 C33 117.9(3) . .
C29 N9 Ag1 116.0(3) . .
C33 N9 Ag1 121.8(2) . .
N3 C9 C6 122.0(3) . .
N3 C9 C10 113.4(3) . .
C6 C9 C10 124.5(3) . .
B5 B9 B1 60.1(2) . .
B5 B9 B8 60.1(3) . .
B1 B9 B8 108.4(3) . .
B5 B9 B11 108.1(3) . .
B1 B9 B11 107.9(3) . .
B8 B9 B11 60.4(3) . .
B5 B9 B10 108.3(3) . .
B1 B9 B10 60.3(2) . .
B8 B9 B10 108.4(3) . .
B11 B9 B10 59.6(2) . .
C35 N10 C34 117.1(3) . .
N14 C10 C11 122.9(3) . .
N14 C10 C9 116.7(3) . .
C11 C10 C9 120.4(3) . .
B6 B10 B11 59.8(3) . .
B6 B10 B2 59.9(3) . .
B11 B10 B2 107.5(3) . .
B6 B10 B9 107.8(3) . .
B11 B10 B9 60.0(2) . .
B2 B10 B9 107.5(3) . .
B6 B10 B1 108.0(3) . .
B11 B10 B1 107.5(3) . .
B2 B10 B1 60.3(2) . .
B9 B10 B1 59.4(2) . .
C36 N11 C37 117.9(3) . .
C36 N11 Ag1 123.1(2) . 2_666
C37 N11 Ag1 116.8(2) . 2_666
C12 N14 C10 117.2(3) . .
C12 N14 Ag2 119.7(3) . .
C10 N14 Ag2 120.5(2) . .
B6 B11 B10 60.1(3) . .
B6 B11 B9 108.3(3) . .
B10 B11 B9 60.4(2) . .
B6 B11 B7 60.8(3) . .
B10 B11 B7 108.7(3) . .
B9 B11 B7 107.6(3) . .
B6 B11 B8 108.6(3) . .
B10 B11 B8 108.3(3) . .
B9 B11 B8 59.6(2) . .
B7 B11 B8 59.8(3) . .
C38 N12 C42 118.8(3) . .
C38 N12 Ag1 120.1(2) . .
C42 N12 Ag1 118.2(2) . .
N14 C12 C13 122.9(4) . .
C50 B12 B16 59.6(2) . .
C50 B12 B21 105.9(3) . .
B16 B12 B21 59.7(3) . .
C50 B12 B13 59.1(2) . .
B16 B12 B13 108.2(3) . .
B21 B12 B13 107.8(3) . .
C50 B12 B17 105.3(3) . .
B16 B12 B17 107.8(3) . .
B21 B12 B17 60.2(3) . .
B13 B12 B17 59.4(3) . .
C14 C13 C12 119.0(4) . .
C50 B13 B18 105.5(3) . .
C50 B13 B14 59.3(2) . .
B18 B13 B14 59.5(2) . .
C50 B13 B17 105.4(3) . .
B18 B13 B17 60.1(3) . .
B14 B13 B17 107.7(3) . .
C50 B13 B12 58.1(2) . .
B18 B13 B12 108.1(3) . .
B14 B13 B12 107.3(3) . .
B17 B13 B12 60.6(3) . .
C11 C14 C13 118.7(4) . .
C50 B14 B18 105.7(3) . .
C50 B14 B19 105.7(3) . .
B18 B14 B19 60.6(3) . .
C50 B14 B13 59.0(2) . .
B18 B14 B13 60.2(3) . .
B19 B14 B13 108.7(3) . .
C50 B14 B15 59.1(2) . .
B18 B14 B15 108.6(3) . .
B19 B14 B15 60.0(3) . .
B13 B14 B15 108.3(3) . .
N5 C15 C16 122.8(4) . .
C50 B15 B16 59.4(2) . .
C50 B15 B20 105.7(3) . .
B16 B15 B20 59.8(3) . .
C50 B15 B19 105.3(3) . .
B16 B15 B19 108.1(3) . .
B20 B15 B19 60.3(3) . .
C50 B15 B14 59.0(2) . .
B16 B15 B14 108.2(3) . .
B20 B15 B14 107.9(3) . .
B19 B15 B14 59.5(2) . .
C17 C16 C15 118.3(4) . .
C50 B16 B20 105.9(3) . .
C50 B16 B15 59.3(2) . .
B20 B16 B15 60.1(3) . .
C50 B16 B21 105.2(3) . .
B20 B16 B21 60.7(3) . .
B15 B16 B21 108.5(3) . .
C50 B16 B12 58.2(2) . .
B20 B16 B12 108.8(3) . .
B15 B16 B12 107.9(3) . .
B21 B16 B12 60.3(3) . .
C18 C17 C16 119.9(4) . .
B18 B17 B13 59.7(3) . .
B18 B17 B22 60.3(3) . .
B13 B17 B22 107.9(3) . .
B18 B17 B21 107.7(3) . .
B13 B17 B21 107.7(3) . .
B22 B17 B21 59.7(3) . .
B18 B17 B12 107.4(3) . .
B13 B17 B12 60.0(3) . .
B22 B17 B12 107.2(3) . .
B21 B17 B12 59.4(3) . .
C17 C18 C19 118.2(4) . .
B14 B18 B13 60.3(2) . .
B14 B18 B19 59.8(3) . .
B13 B18 B19 108.2(3) . .
B14 B18 B17 108.3(3) . .
B13 B18 B17 60.2(3) . .
B19 B18 B17 108.1(3) . .
B14 B18 B22 107.9(3) . .
B13 B18 B22 108.1(3) . .
B19 B18 B22 60.0(2) . .
B17 B18 B22 60.1(3) . .
N5 C19 C18 122.5(3) . .
N5 C19 C20 117.0(3) . .
C18 C19 C20 120.4(3) . .
B14 B19 B15 60.5(2) . .
B14 B19 B18 59.6(3) . .
B15 B19 B18 108.1(3) . .
B14 B19 B20 108.2(3) . .
B15 B19 B20 59.7(3) . .
B18 B19 B20 108.5(3) . .
B14 B19 B22 108.0(3) . .
B15 B19 B22 108.0(3) . .
B18 B19 B22 60.4(3) . .
B20 B19 B22 60.2(3) . .
N6 C20 C23 121.6(3) . .
N6 C20 C19 114.2(3) . .
C23 C20 C19 124.2(3) . .
B16 B20 B15 60.1(2) . .
B16 B20 B19 108.0(3) . .
B15 B20 B19 60.0(3) . .
B16 B20 B21 59.9(3) . .
B15 B20 B21 107.9(3) . .
B19 B20 B21 107.8(3) . .
B16 B20 B22 108.0(3) . .
B15 B20 B22 108.1(3) . .
B19 B20 B22 60.0(3) . .
B21 B20 B22 59.9(3) . .
N6 C21 C22 122.6(4) . .
B16 B21 B12 60.0(3) . .
B16 B21 B22 107.8(3) . .
B12 B21 B22 108.1(3) . .
B16 B21 B20 59.4(3) . .
B12 B21 B20 107.6(3) . .
B22 B21 B20 60.1(3) . .
B16 B21 B17 108.3(3) . .
B12 B21 B17 60.4(3) . .
B22 B21 B17 59.9(3) . .
B20 B21 B17 107.9(3) . .
N7 C22 C21 121.6(4) . .
B19 B22 B21 107.7(3) . .
B19 B22 B17 107.6(3) . .
B21 B22 B17 60.4(3) . .
B19 B22 B20 59.8(3) . .
B21 B22 B20 60.0(3) . .
B17 B22 B20 108.2(3) . .
B19 B22 B18 59.7(3) . .
B21 B22 B18 107.8(3) . .
B17 B22 B18 59.7(3) . .
B20 B22 B18 107.6(3) . .
N7 C23 C20 121.1(3) . .
N7 C23 C24 115.0(3) . .
C20 C23 C24 123.8(3) . .
N8 C24 C25 122.7(3) . .
N8 C24 C23 116.7(3) . .
C25 C24 C23 120.5(3) . .
C26 C25 C24 118.7(4) . .
C27 C26 C25 119.2(4) . .
C26 C27 C28 118.6(4) . .
N8 C28 C27 123.1(4) . .
N9 C29 C30 122.8(4) . .
C29 C30 C31 119.1(4) . .
C32 C31 C30 118.6(4) . .
C31 C32 C33 119.4(4) . .
N9 C33 C32 122.2(3) . .
N9 C33 C34 117.4(3) . .
C32 C33 C34 120.3(3) . .
N10 C34 C37 121.1(3) . .
N10 C34 C33 113.4(3) . .
C37 C34 C33 125.5(3) . .
N10 C35 C36 122.2(3) . .
N11 C36 C35 121.7(3) . .
N11 C37 C34 119.8(3) . .
N11 C37 C42 115.1(3) . 2_666
C34 C37 C42 125.1(3) . 2_666
N12 C38 C39 123.1(4) . .
C40 C39 C38 118.1(4) . .
C39 C40 C41 119.7(4) . .
C40 C41 C42 119.3(4) . .
N12 C42 C41 120.9(3) . .
N12 C42 C37 115.5(3) . 2_666
C41 C42 C37 123.5(3) . 2_666
C44 C43 B2 117.4(3) . .
C44 C43 B4 119.4(3) . .
B2 C43 B4 113.3(3) . .
C44 C43 B3 117.5(3) . .
B2 C43 B3 62.3(2) . .
B4 C43 B3 62.3(3) . .
C44 C43 B1 118.9(3) . .
B2 C43 B1 62.5(2) . .
B4 C43 B1 112.5(3) . .
B3 C43 B1 113.6(3) . .
C44 C43 B5 120.2(3) . .
B2 C43 B5 113.0(3) . .
B4 C43 B5 61.7(2) . .
B3 C43 B5 113.1(3) . .
B1 C43 B5 61.5(2) . .
C45 C44 C49 117.6(4) . .
C45 C44 C43 122.0(3) . .
C49 C44 C43 120.3(4) . .
C44 C45 C46 121.6(4) . .
C47 C46 C45 118.8(4) . .
C46 C47 C48 122.2(4) . .
C46 C47 Br1 118.9(4) . .
C48 C47 Br1 118.9(4) . .
C47 C48 C49 118.6(4) . .
C44 C49 C48 121.2(5) . .
C51 C50 B12 118.8(3) . .
C51 C50 B13 119.3(3) . .
B12 C50 B13 62.9(3) . .
C51 C50 B14 119.2(3) . .
B12 C50 B14 113.2(3) . .
B13 C50 B14 61.7(2) . .
C51 C50 B15 118.3(3) . .
B12 C50 B15 112.8(3) . .
B13 C50 B15 112.9(3) . .
B14 C50 B15 61.9(2) . .
C51 C50 B16 118.5(3) . .
B12 C50 B16 62.2(3) . .
B13 C50 B16 113.4(3) . .
B14 C50 B16 112.1(3) . .
B15 C50 B16 61.3(2) . .
C52 C51 C56 118.1(3) . .
C52 C51 C50 121.1(3) . .
C56 C51 C50 120.8(3) . .
C53 C52 C51 121.7(4) . .
C52 C53 C54 118.9(4) . .
C55 C54 C53 120.4(4) . .
C55 C54 Br2 119.7(3) . .
C53 C54 Br2 119.8(3) . .
C54 C55 C56 120.2(4) . .
C55 C56 C51 120.5(4) . .
N13 C57 C58 179.1(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N9 2.281(3) .
Ag1 N12 2.355(3) .
Ag1 N8 2.356(3) .
Ag1 N11 2.388(3) 2_666
Br1 C47 1.900(4) .
N1 C1 1.334(5) .
N1 C5 1.344(5) .
N1 Ag2 2.389(3) 2_665
C1 C2 1.375(6) .
B1 C43 1.729(5) .
B1 B5 1.772(6) .
B1 B9 1.772(6) .
B1 B10 1.790(6) .
B1 B2 1.790(6) .
Ag2 N14 2.263(3) .
Ag2 N5 2.353(3) .
Ag2 N2 2.387(3) 2_665
Ag2 N1 2.389(3) 2_665
Br2 C54 1.901(4) .
N2 C7 1.338(5) .
N2 C6 1.347(4) .
N2 Ag2 2.387(3) 2_665
C2 C3 1.373(6) .
B2 C43 1.718(5) .
B2 B6 1.772(7) .
B2 B10 1.776(6) .
B2 B3 1.782(6) .
N3 C8 1.336(5) .
N3 C9 1.340(5) .
C3 C4 1.383(6) .
B3 C43 1.725(6) .
B3 B7 1.773(6) .
B3 B6 1.777(6) .
B3 B4 1.785(6) .
C11 C14 1.377(5) .
C11 C10 1.384(5) .
C4 C5 1.390(5) .
B4 C43 1.724(6) .
B4 B7 1.765(6) .
B4 B8 1.769(6) .
B4 B5 1.774(6) .
N5 C19 1.337(5) .
N5 C15 1.343(5) .
C5 C6 1.500(5) .
B5 C43 1.735(5) .
B5 B9 1.767(6) .
B5 B8 1.773(6) .
N6 C21 1.325(5) .
N6 C20 1.345(5) .
C6 C9 1.399(5) .
B6 B11 1.769(6) .
B6 B10 1.774(6) .
B6 B7 1.798(7) .
N7 C22 1.337(5) .
N7 C23 1.343(5) .
C7 C8 1.356(6) .
B7 B8 1.782(6) .
B7 B11 1.785(6) .
N8 C24 1.337(5) .
N8 C28 1.342(5) .
B8 B9 1.775(7) .
B8 B11 1.790(6) .
N9 C29 1.342(5) .
N9 C33 1.344(5) .
C9 C10 1.496(5) .
B9 B11 1.782(6) .
B9 B10 1.789(6) .
N10 C35 1.336(5) .
N10 C34 1.351(4) .
C10 N14 1.353(4) .
B10 B11 1.775(6) .
N11 C36 1.336(5) .
N11 C37 1.353(4) .
N11 Ag1 2.388(3) 2_666
N14 C12 1.344(5) .
N12 C38 1.336(5) .
N12 C42 1.349(4) .
C12 C13 1.388(6) .
B12 C50 1.706(6) .
B12 B16 1.775(7) .
B12 B21 1.780(6) .
B12 B13 1.789(7) .
B12 B17 1.799(7) .
N13 C57 1.124(9) .
C13 C14 1.387(6) .
B13 C50 1.724(6) .
B13 B18 1.770(6) .
B13 B14 1.771(6) .
B13 B17 1.778(7) .
B14 C50 1.730(5) .
B14 B18 1.758(6) .
B14 B19 1.762(6) .
B14 B15 1.780(6) .
C15 C16 1.389(5) .
B15 C50 1.731(5) .
B15 B16 1.765(6) .
B15 B20 1.766(6) .
B15 B19 1.772(6) .
C16 C17 1.379(6) .
B16 C50 1.732(6) .
B16 B20 1.761(6) .
B16 B21 1.769(7) .
C17 C18 1.378(6) .
B17 B18 1.778(7) .
B17 B22 1.785(6) .
B17 B21 1.794(7) .
C18 C19 1.398(5) .
B18 B19 1.776(7) .
B18 B22 1.789(6) .
C19 C20 1.502(5) .
B19 B20 1.777(6) .
B19 B22 1.781(6) .
C20 C23 1.391(5) .
B20 B21 1.784(7) .
B20 B22 1.785(6) .
C21 C22 1.376(6) .
B21 B22 1.782(6) .
C23 C24 1.495(5) .
C24 C25 1.386(5) .
C25 C26 1.379(6) .
C26 C27 1.376(6) .
C27 C28 1.378(6) .
C29 C30 1.373(6) .
C30 C31 1.386(7) .
C31 C32 1.372(6) .
C32 C33 1.383(5) .
C33 C34 1.481(5) .
C34 C37 1.410(5) .
C35 C36 1.369(5) .
C37 C42 1.494(5) 2_666
C38 C39 1.381(5) .
C39 C40 1.371(6) .
C40 C41 1.383(6) .
C41 C42 1.388(5) .
C42 C37 1.494(5) 2_666
C43 C44 1.507(5) .
C44 C45 1.382(6) .
C44 C49 1.397(6) .
C45 C46 1.399(6) .
C46 C47 1.357(6) .
C47 C48 1.370(7) .
C48 C49 1.398(6) .
C50 C51 1.515(5) .
C51 C52 1.389(5) .
C51 C56 1.391(5) .
C52 C53 1.380(5) .
C53 C54 1.385(5) .
C54 C55 1.373(6) .
C55 C56 1.382(5) .
C57 C58 1.464(10) .
