#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:00:20 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179608 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/72/4507259.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_4507259
loop_
_publ_author_name
'Yang, Guang'
'Baran, Peter'
'Martínez, Angel R.'
'Raptis, Raphael G.'
_publ_section_title
;
 Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato
 Trimers
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              264
_journal_paper_doi               10.1021/cg301411j
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C60 H54 Ag6 N12'
_chemical_formula_weight         1590.37
_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                115.984(6)
_cell_angle_beta                 100.687(5)
_cell_angle_gamma                100.292(6)
_cell_formula_units_Z            2
_cell_length_a                   14.082(4)
_cell_length_b                   15.035(4)
_cell_length_c                   16.149(5)
_cell_measurement_temperature    298(2)
_cell_volume                     2886.5(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0604
_diffrn_reflns_av_sigmaI/netI    0.1165
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12875
_diffrn_reflns_theta_full        23.38
_diffrn_reflns_theta_max         23.38
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    2.045
_exptl_absorpt_correction_T_max  0.8063
_exptl_absorpt_correction_T_min  0.6288
_exptl_crystal_density_diffrn    1.830
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.805
_refine_diff_density_min         -1.451
_refine_diff_density_rms         0.387
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.908
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         8271
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.908
_refine_ls_R_factor_all          0.1330
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.060
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0737P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1136
_refine_ls_wR_factor_ref         0.1529
_reflns_number_gt                4158
_reflns_number_total             8271
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg301411j_si_003.cif
_cod_data_source_block           yg009
_cod_original_cell_volume        2886.5(14)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4507259
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 -0.04623(4) 0.09812(4) 0.42665(4) 0.0581(2) Uani 1 1 d .
Ag2 Ag 0.18503(5) 0.18830(5) 0.58105(4) 0.0591(2) Uani 1 1 d .
Ag3 Ag -0.01968(4) 0.11008(5) 0.64957(4) 0.0576(2) Uani 1 1 d .
Ag4 Ag 0.84544(4) 0.33903(5) 0.26618(5) 0.0635(2) Uani 1 1 d .
Ag5 Ag 1.08474(4) 0.40316(4) 0.41116(4) 0.0559(2) Uani 1 1 d .
Ag6 Ag 0.87736(5) 0.34256(5) 0.48140(5) 0.0645(2) Uani 1 1 d .
C1 C 0.3500(5) 0.2324(6) 0.4550(6) 0.078(3) Uani 1 1 d .
H1A H 0.3860 0.2928 0.4548 0.116 Uiso 1 1 calc R
H1B H 0.3737 0.1751 0.4196 0.116 Uiso 1 1 calc R
H1C H 0.3613 0.2454 0.5203 0.116 Uiso 1 1 calc R
C2 C 0.2399(6) 0.2073(5) 0.4089(5) 0.055(2) Uani 1 1 d .
C3 C 0.1876(5) 0.1977(5) 0.3220(5) 0.060(3) Uani 1 1 d .
H3 H 0.2161 0.2125 0.2803 0.072 Uiso 1 1 calc R
C4 C 0.0829(6) 0.1614(5) 0.3086(5) 0.055(3) Uani 1 1 d .
C5 C -0.0043(3) 0.1355(3) 0.2254(3) 0.050(2) Uani 1 1 d G
C6 C 0.0117(4) 0.1223(4) 0.1389(3) 0.078(3) Uani 1 1 d G
H6 H 0.0769 0.1315 0.1335 0.094 Uiso 1 1 calc R
C7 C -0.0698(5) 0.0952(4) 0.0603(3) 0.084(3) Uani 1 1 d G
H7 H -0.0591 0.0864 0.0025 0.101 Uiso 1 1 calc R
C8 C -0.1673(4) 0.0814(5) 0.0683(4) 0.085(4) Uani 1 1 d G
H8 H -0.2218 0.0633 0.0158 0.102 Uiso 1 1 calc R
C9 C -0.1833(3) 0.0946(5) 0.1548(4) 0.084(4) Uani 1 1 d G
H9 H -0.2485 0.0854 0.1602 0.101 Uiso 1 1 calc R
C10 C -0.1018(4) 0.1217(4) 0.2334(3) 0.071(3) Uani 1 1 d G
H10 H -0.1125 0.1305 0.2913 0.086 Uiso 1 1 calc R
C11 C -0.3030(6) 0.0015(6) 0.3164(5) 0.068(3) Uani 1 1 d .
H11A H -0.2680 0.0588 0.3111 0.102 Uiso 1 1 calc R
H11B H -0.3745 -0.0089 0.2968 0.102 Uiso 1 1 calc R
H11C H -0.2877 -0.0599 0.2756 0.102 Uiso 1 1 calc R
C12 C -0.2704(6) 0.0234(6) 0.4170(5) 0.055(3) Uani 1 1 d .
C13 C -0.3267(6) 0.0138(6) 0.4750(6) 0.067(3) Uani 1 1 d .
H13 H -0.3968 -0.0087 0.4585 0.080 Uiso 1 1 calc R
C14 C -0.2586(5) 0.0442(5) 0.5630(5) 0.052(2) Uani 1 1 d .
C15 C -0.2795(3) 0.0550(3) 0.6521(3) 0.055(3) Uani 1 1 d G
C16 C -0.3648(3) 0.0840(4) 0.6707(4) 0.082(3) Uani 1 1 d G
H16 H -0.4080 0.0934 0.6261 0.098 Uiso 1 1 calc R
C17 C -0.3857(4) 0.0989(5) 0.7558(4) 0.104(4) Uani 1 1 d G
H17 H -0.4428 0.1183 0.7683 0.125 Uiso 1 1 calc R
C18 C -0.3212(5) 0.0847(5) 0.8224(4) 0.103(4) Uani 1 1 d G
H18 H -0.3352 0.0947 0.8794 0.124 Uiso 1 1 calc R
C19 C -0.2359(5) 0.0557(4) 0.8038(3) 0.081(3) Uani 1 1 d G
H19 H -0.1927 0.0463 0.8483 0.097 Uiso 1 1 calc R
C20 C -0.2150(3) 0.0408(4) 0.7186(3) 0.060(3) Uani 1 1 d G
H20 H -0.1579 0.0214 0.7062 0.072 Uiso 1 1 calc R
C21 C 0.0898(6) 0.1538(6) 0.8826(5) 0.072(3) Uani 1 1 d .
H21A H 0.0213 0.1273 0.8417 0.109 Uiso 1 1 calc R
H21B H 0.0952 0.2106 0.9439 0.109 Uiso 1 1 calc R
H21C H 0.1091 0.1001 0.8922 0.109 Uiso 1 1 calc R
C22 C 0.1586(6) 0.1905(5) 0.8360(5) 0.058(3) Uani 1 1 d .
C23 C 0.2565(6) 0.2508(5) 0.8748(5) 0.058(3) Uani 1 1 d .
H23 H 0.2964 0.2801 0.9384 0.070 Uiso 1 1 calc R
C24 C 0.2847(6) 0.2595(6) 0.8005(5) 0.058(3) Uani 1 1 d .
C25 C 0.3804(3) 0.3120(3) 0.7944(3) 0.064(3) Uani 1 1 d G
C26 C 0.4187(4) 0.2634(4) 0.7184(4) 0.082(3) Uani 1 1 d G
H26 H 0.3830 0.1968 0.6688 0.099 Uiso 1 1 calc R
C27 C 0.5104(5) 0.3142(6) 0.7167(5) 0.097(4) Uani 1 1 d G
H27 H 0.5360 0.2817 0.6658 0.116 Uiso 1 1 calc R
C28 C 0.5638(4) 0.4137(6) 0.7909(6) 0.114(4) Uani 1 1 d G
H28 H 0.6251 0.4477 0.7897 0.137 Uiso 1 1 calc R
C29 C 0.5255(4) 0.4623(4) 0.8669(5) 0.151(6) Uani 1 1 d G
H29 H 0.5612 0.5289 0.9166 0.182 Uiso 1 1 calc R
C30 C 0.4338(4) 0.4114(4) 0.8687(4) 0.122(5) Uani 1 1 d G
H30 H 0.4082 0.4440 0.9196 0.146 Uiso 1 1 calc R
C31 C 0.8778(7) 0.3495(8) 0.0613(6) 0.100(4) Uani 1 1 d .
H31A H 0.8620 0.2833 0.0048 0.150 Uiso 1 1 calc R
H31B H 0.8881 0.4031 0.0438 0.150 Uiso 1 1 calc R
H31C H 0.8230 0.3516 0.0889 0.150 Uiso 1 1 calc R
C32 C 0.9722(7) 0.3659(6) 0.1335(6) 0.073(3) Uani 1 1 d .
C33 C 1.0698(6) 0.3770(6) 0.1312(6) 0.063(3) Uani 1 1 d .
H33 H 1.0937 0.3737 0.0803 0.075 Uiso 1 1 calc R
C34 C 1.1268(5) 0.3942(5) 0.2200(6) 0.054(3) Uani 1 1 d .
C35 C 1.2343(3) 0.4033(3) 0.2544(3) 0.054(2) Uani 1 1 d G
C36 C 1.2784(4) 0.3438(4) 0.1883(3) 0.089(4) Uani 1 1 d G
H36 H 1.2410 0.3020 0.1237 0.107 Uiso 1 1 calc R
C37 C 1.3785(4) 0.3467(5) 0.2188(5) 0.110(4) Uani 1 1 d G
H37 H 1.4080 0.3069 0.1746 0.132 Uiso 1 1 calc R
C38 C 1.4345(3) 0.4091(6) 0.3154(6) 0.114(4) Uani 1 1 d G
H38 H 1.5014 0.4111 0.3358 0.136 Uiso 1 1 calc R
C39 C 1.3904(4) 0.4687(5) 0.3815(4) 0.102(4) Uani 1 1 d G
H39 H 1.4278 0.5104 0.4461 0.122 Uiso 1 1 calc R
C40 C 1.2903(4) 0.4658(4) 0.3510(3) 0.073(3) Uani 1 1 d G
H40 H 1.2608 0.5056 0.3951 0.087 Uiso 1 1 calc R
C41 C 1.2890(5) 0.4629(6) 0.6044(6) 0.072(3) Uani 1 1 d .
H41A H 1.2870 0.4214 0.5386 0.108 Uiso 1 1 calc R
H41B H 1.3382 0.4521 0.6460 0.108 Uiso 1 1 calc R
H41C H 1.3071 0.5347 0.6212 0.108 Uiso 1 1 calc R
C42 C 1.1893(6) 0.4334(5) 0.6157(6) 0.055(3) Uani 1 1 d .
C43 C 1.1594(6) 0.4177(6) 0.6875(6) 0.065(3) Uani 1 1 d .
H43 H 1.2023 0.4257 0.7432 0.078 Uiso 1 1 calc R
C44 C 1.0544(6) 0.3881(5) 0.6611(5) 0.052(2) Uani 1 1 d .
C45 C 0.9859(3) 0.3661(3) 0.7147(3) 0.056(3) Uani 1 1 d G
C46 C 1.0289(4) 0.3620(4) 0.7972(3) 0.090(3) Uani 1 1 d G
H46 H 1.0981 0.3717 0.8169 0.109 Uiso 1 1 calc R
C47 C 0.9686(6) 0.3435(5) 0.8504(4) 0.106(4) Uani 1 1 d G
H47 H 0.9974 0.3408 0.9056 0.127 Uiso 1 1 calc R
C48 C 0.8652(5) 0.3290(5) 0.8210(5) 0.098(4) Uani 1 1 d G
H48 H 0.8248 0.3166 0.8565 0.117 Uiso 1 1 calc R
C49 C 0.8222(4) 0.3330(5) 0.7385(5) 0.098(4) Uani 1 1 d G
H49 H 0.7530 0.3234 0.7188 0.118 Uiso 1 1 calc R
C50 C 0.8825(3) 0.3516(4) 0.6853(4) 0.079(3) Uani 1 1 d G
H50 H 0.8537 0.3543 0.6301 0.095 Uiso 1 1 calc R
C51 C 0.6291(6) 0.2427(6) 0.4826(6) 0.092(3) Uani 1 1 d .
H51A H 0.6888 0.2340 0.5141 0.137 Uiso 1 1 calc R
H51B H 0.5718 0.1854 0.4645 0.137 Uiso 1 1 calc R
H51C H 0.6186 0.3059 0.5259 0.137 Uiso 1 1 calc R
C52 C 0.6416(5) 0.2468(6) 0.3952(6) 0.063(3) Uani 1 1 d .
C53 C 0.5698(6) 0.2157(6) 0.3080(6) 0.074(3) Uani 1 1 d .
H53 H 0.5011 0.1836 0.2917 0.089 Uiso 1 1 calc R
C54 C 0.6192(6) 0.2412(6) 0.2472(7) 0.072(3) Uani 1 1 d .
C55 C 0.5803(3) 0.2284(4) 0.1489(3) 0.074(3) Uani 1 1 d G
C56 C 0.4997(4) 0.1416(4) 0.0829(4) 0.120(5) Uani 1 1 d G
H56 H 0.4735 0.0929 0.1000 0.144 Uiso 1 1 calc R
C57 C 0.4582(4) 0.1275(6) -0.0086(4) 0.145(7) Uani 1 1 d G
H57 H 0.4042 0.0694 -0.0528 0.174 Uiso 1 1 calc R
C58 C 0.4974(5) 0.2002(7) -0.0341(4) 0.136(6) Uani 1 1 d G
H58 H 0.4696 0.1908 -0.0954 0.164 Uiso 1 1 calc R
C59 C 0.5780(6) 0.2870(6) 0.0319(5) 0.123(5) Uani 1 1 d G
H59 H 0.6042 0.3357 0.0148 0.148 Uiso 1 1 calc R
C60 C 0.6195(4) 0.3011(4) 0.1234(4) 0.095(4) Uani 1 1 d G
H60 H 0.6734 0.3592 0.1676 0.115 Uiso 1 1 calc R
N1 N 0.0754(4) 0.1497(4) 0.3862(4) 0.0475(19) Uani 1 1 d .
N2 N 0.1696(5) 0.1786(4) 0.4466(4) 0.0499(19) Uani 1 1 d .
N3 N 0.2049(4) 0.2035(4) 0.7190(4) 0.0530(19) Uani 1 1 d .
N4 N -0.1713(4) 0.0537(4) 0.4657(4) 0.051(2) Uani 1 1 d .
N5 N 0.1265(5) 0.1607(4) 0.7421(4) 0.056(2) Uani 1 1 d .
N6 N -0.1629(4) 0.0659(4) 0.5563(4) 0.055(2) Uani 1 1 d .
N7 N 0.9689(4) 0.3755(4) 0.2207(5) 0.059(2) Uani 1 1 d .
N8 N 1.0633(4) 0.3925(4) 0.2737(4) 0.050(2) Uani 1 1 d .
N9 N 1.1032(4) 0.4111(4) 0.5455(4) 0.0494(19) Uani 1 1 d .
N10 N 0.7189(4) 0.2877(5) 0.3019(5) 0.064(2) Uani 1 1 d .
N11 N 1.0194(4) 0.3830(5) 0.5734(4) 0.058(2) Uani 1 1 d .
N12 N 0.7308(4) 0.2906(4) 0.3882(5) 0.057(2) 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N4 Ag1 N1 176.3(3) . .
N4 Ag1 Ag3 100.39(17) . 2_556
N1 Ag1 Ag3 82.94(17) . 2_556
N4 Ag1 Ag2 120.07(17) . .
N1 Ag1 Ag2 61.87(17) . .
Ag3 Ag1 Ag2 80.46(3) 2_556 .
N2 Ag2 N3 177.8(2) . .
N2 Ag2 Ag1 61.35(16) . .
N3 Ag2 Ag1 120.32(16) . .
N6 Ag3 N5 177.1(3) . .
N6 Ag3 Ag1 103.77(17) . 2_556
N5 Ag3 Ag1 78.01(17) . 2_556
N7 Ag4 N10 174.5(2) . .
N9 Ag5 N8 178.8(2) . .
N9 Ag5 Ag6 88.78(15) . 2_766
N8 Ag5 Ag6 92.03(15) . 2_766
N11 Ag6 N12 175.5(3) . .
N11 Ag6 Ag5 83.23(18) . 2_766
N12 Ag6 Ag5 100.70(17) . 2_766
N2 C2 C3 106.9(7) . .
N2 C2 C1 121.6(8) . .
C3 C2 C1 131.3(8) . .
C2 C3 C4 107.6(7) . .
N1 C4 C3 106.4(7) . .
N1 C4 C5 125.0(6) . .
C3 C4 C5 128.6(7) . .
C6 C5 C10 120.0 . .
C6 C5 C4 119.9(4) . .
C10 C5 C4 120.1(4) . .
C7 C6 C5 120.0 . .
C6 C7 C8 120.0 . .
C9 C8 C7 120.0 . .
C8 C9 C10 120.0 . .
C9 C10 C5 120.0 . .
N4 C12 C13 108.9(7) . .
N4 C12 C11 121.0(7) . .
C13 C12 C11 130.0(7) . .
C12 C13 C14 106.5(7) . .
N6 C14 C13 108.7(7) . .
N6 C14 C15 122.8(6) . .
C13 C14 C15 128.5(7) . .
C16 C15 C20 120.0 . .
C16 C15 C14 117.9(4) . .
C20 C15 C14 122.0(4) . .
C17 C16 C15 120.0 . .
C16 C17 C18 120.0 . .
C19 C18 C17 120.0 . .
C18 C19 C20 120.0 . .
C19 C20 C15 120.0 . .
N5 C22 C23 110.3(8) . .
N5 C22 C21 120.2(7) . .
C23 C22 C21 129.5(8) . .
C22 C23 C24 106.0(7) . .
N3 C24 C23 108.3(7) . .
N3 C24 C25 118.6(7) . .
C23 C24 C25 133.0(6) . .
C26 C25 C30 120.0 . .
C26 C25 C24 121.7(4) . .
C30 C25 C24 118.3(4) . .
C25 C26 C27 120.0 . .
C28 C27 C26 120.0 . .
C27 C28 C29 120.0 . .
C30 C29 C28 120.0 . .
C29 C30 C25 120.0 . .
N7 C32 C33 108.3(8) . .
N7 C32 C31 120.0(8) . .
C33 C32 C31 131.6(9) . .
C32 C33 C34 106.7(8) . .
N8 C34 C33 108.1(7) . .
N8 C34 C35 121.5(7) . .
C33 C34 C35 130.1(7) . .
C36 C35 C40 120.0 . .
C36 C35 C34 118.3(4) . .
C40 C35 C34 121.6(4) . .
C37 C36 C35 120.0 . .
C38 C37 C36 120.0 . .
C37 C38 C39 120.0 . .
C40 C39 C38 120.0 . .
C39 C40 C35 120.0 . .
N9 C42 C43 107.4(7) . .
N9 C42 C41 120.4(8) . .
C43 C42 C41 132.1(8) . .
C44 C43 C42 108.1(8) . .
N11 C44 C43 108.0(8) . .
N11 C44 C45 123.0(6) . .
C43 C44 C45 129.0(7) . .
C46 C45 C50 120.0 . .
C46 C45 C44 117.9(4) . .
C50 C45 C44 122.1(4) . .
C47 C46 C45 120.0 . .
C46 C47 C48 120.0 . .
C49 C48 C47 120.0 . .
C50 C49 C48 120.0 . .
C49 C50 C45 120.0 . .
N12 C52 C53 105.5(8) . .
N12 C52 C51 124.1(7) . .
C53 C52 C51 130.3(7) . .
C52 C53 C54 109.1(7) . .
N10 C54 C53 104.2(8) . .
N10 C54 C55 123.3(8) . .
C53 C54 C55 132.5(7) . .
C56 C55 C60 120.0 . .
C56 C55 C54 117.5(4) . .
C60 C55 C54 122.4(4) . .
C55 C56 C57 120.0 . .
C58 C57 C56 120.0 . .
C57 C58 C59 120.0 . .
C58 C59 C60 120.0 . .
C59 C60 C55 120.0 . .
C4 N1 N2 109.1(6) . .
C4 N1 Ag1 133.6(5) . .
N2 N1 Ag1 117.3(5) . .
C2 N2 N1 110.0(6) . .
C2 N2 Ag2 130.6(5) . .
N1 N2 Ag2 119.0(5) . .
C24 N3 N5 107.8(6) . .
C24 N3 Ag2 130.9(5) . .
N5 N3 Ag2 121.0(4) . .
C12 N4 N6 108.7(6) . .
C12 N4 Ag1 128.8(6) . .
N6 N4 Ag1 121.9(4) . .
C22 N5 N3 107.6(6) . .
C22 N5 Ag3 130.4(6) . .
N3 N5 Ag3 118.3(5) . .
C14 N6 N4 107.2(6) . .
C14 N6 Ag3 134.3(6) . .
N4 N6 Ag3 118.5(5) . .
N8 N7 C32 108.9(7) . .
N8 N7 Ag4 119.6(6) . .
C32 N7 Ag4 130.1(5) . .
N7 N8 C34 108.0(6) . .
N7 N8 Ag5 119.0(5) . .
C34 N8 Ag5 132.9(5) . .
C42 N9 N11 108.6(6) . .
C42 N9 Ag5 130.4(6) . .
N11 N9 Ag5 120.8(4) . .
N12 N10 C54 109.8(7) . .
N12 N10 Ag4 119.9(4) . .
C54 N10 Ag4 130.1(7) . .
C44 N11 N9 107.9(6) . .
C44 N11 Ag6 134.0(5) . .
N9 N11 Ag6 118.1(5) . .
N10 N12 C52 111.3(6) . .
N10 N12 Ag6 118.5(5) . .
C52 N12 Ag6 129.8(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N4 2.075(6) .
Ag1 N1 2.084(6) .
Ag1 Ag3 3.2032(12) 2_556
Ag1 Ag2 3.3330(12) .
Ag2 N2 2.078(6) .
Ag2 N3 2.096(6) .
Ag3 N6 2.072(6) .
Ag3 N5 2.086(6) .
Ag3 Ag1 3.2032(12) 2_556
Ag4 N7 2.085(7) .
Ag4 N10 2.094(7) .
Ag5 N9 2.084(6) .
Ag5 N8 2.114(7) .
Ag5 Ag6 3.3206(13) 2_766
Ag6 N11 2.061(6) .
Ag6 N12 2.092(6) .
Ag6 Ag5 3.3206(13) 2_766
C1 C2 1.489(10) .
C2 N2 1.356(10) .
C2 C3 1.391(11) .
C3 C4 1.417(10) .
C4 N1 1.360(10) .
C4 C5 1.491(9) .
C5 C6 1.3900 .
C5 C10 1.3900 .
C6 C7 1.3900 .
C7 C8 1.3900 .
C8 C9 1.3900 .
C9 C10 1.3900 .
C11 C12 1.469(11) .
C12 N4 1.351(9) .
C12 C13 1.372(11) .
C13 C14 1.384(11) .
C14 N6 1.365(9) .
C14 C15 1.467(9) .
C15 C16 1.3900 .
C15 C20 1.3900 .
C16 C17 1.3900 .
C17 C18 1.3900 .
C18 C19 1.3900 .
C19 C20 1.3900 .
C21 C22 1.501(12) .
C22 N5 1.336(10) .
C22 C23 1.361(10) .
C23 C24 1.382(12) .
C24 N3 1.359(8) .
C24 C25 1.478(9) .
C25 C26 1.3900 .
C25 C30 1.3900 .
C26 C27 1.3900 .
C27 C28 1.3900 .
C28 C29 1.3900 .
C29 C30 1.3900 .
C31 C32 1.498(12) .
C32 N7 1.363(11) .
C32 C33 1.364(12) .
C33 C34 1.394(11) .
C34 N8 1.360(10) .
C34 C35 1.471(8) .
C35 C36 1.3900 .
C35 C40 1.3900 .
C36 C37 1.3900 .
C37 C38 1.3900 .
C38 C39 1.3900 .
C39 C40 1.3900 .
C41 C42 1.463(11) .
C42 N9 1.371(9) .
C42 C43 1.402(12) .
C43 C44 1.390(10) .
C44 N11 1.374(10) .
C44 C45 1.495(9) .
C45 C46 1.3900 .
C45 C50 1.3900 .
C46 C47 1.3900 .
C47 C48 1.3900 .
C48 C49 1.3900 .
C49 C50 1.3900 .
C51 C52 1.481(13) .
C52 N12 1.358(9) .
C52 C53 1.395(12) .
C53 C54 1.443(13) .
C54 N10 1.375(9) .
C54 C55 1.492(11) .
C55 C56 1.3900 .
C55 C60 1.3900 .
C56 C57 1.3900 .
C57 C58 1.3900 .
C58 C59 1.3900 .
C59 C60 1.3900 .
N1 N2 1.358(8) .
N3 N5 1.371(9) .
N4 N6 1.373(9) .
N7 N8 1.352(8) .
N9 N11 1.400(9) .
N10 N12 1.353(10) .
