#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:40:23 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178819 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/73/4107308.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_4107308
loop_
_publ_author_name
'Jie-Peng Zhang'
'Susumu Kitagawa'
_publ_section_title
;
 Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal
 Center, and Porous Property of Ag(I)/Cu(I)
 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              907
_journal_page_last               917
_journal_paper_doi               10.1021/ja075408b
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C60 H72 Ag12 N24'
_chemical_formula_weight         2423.86
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           68
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   19.2056(5)
_cell_length_b                   47.9669(16)
_cell_length_c                   36.2063(9)
_cell_measurement_temperature    213(2)
_cell_volume                     33354.4(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       '/w scan'
_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  0.0458
_diffrn_reflns_av_sigmaI/netI    0.0715
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       56
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            49244
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.27
_exptl_absorpt_coefficient_mu    2.798
_exptl_absorpt_correction_T_max  0.6790
_exptl_absorpt_correction_T_min  0.5414
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   REQABA
_exptl_crystal_colour            plate-like
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_description       colorless
_exptl_crystal_F_000             18624
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.699
_refine_diff_density_min         -0.860
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     891
_refine_ls_number_reflns         16191
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0494
_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)+(0.0171P)²+400.8250P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0879
_refine_ls_wR_factor_ref         0.0975
_reflns_number_gt                12557
_reflns_number_total             16191
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja075408b-file005.cif
_cod_data_source_block           2-Ag
_cod_original_sg_symbol_H-M      'C c c a'
_cod_database_code               4107308
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1, -y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'x+1, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'x, -y, z-1/2'
'-x-1/2, y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x, y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
'-x, 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
Ag1 Ag 0.66143(3) -0.152532(11) -0.277984(14) 0.04263(13) Uani 1 1 d .
Ag2 Ag 0.72862(3) -0.091595(11) -0.241851(13) 0.04492(14) Uani 1 1 d .
Ag3 Ag 0.80731(3) -0.153274(11) -0.226737(14) 0.04264(13) Uani 1 1 d .
Ag4 Ag 0.5000 -0.148235(15) -0.2500 0.04063(18) Uani 1 2 d S
Ag5 Ag 0.43943(3) -0.084341(11) -0.281220(15) 0.04645(14) Uani 1 1 d .
Ag6 Ag 0.5000 0.169671(16) -0.2500 0.04340(19) Uani 1 2 d S
Ag7 Ag 0.42085(3) 0.109488(11) -0.228050(15) 0.04663(14) Uani 1 1 d .
Ag8 Ag 1.01208(3) -0.020973(12) 0.047093(13) 0.04412(14) Uani 1 1 d .
Ag9 Ag 1.03396(3) -0.040851(13) -0.042735(13) 0.04588(14) Uani 1 1 d .
Ag10 Ag 0.89562(3) -0.064847(14) 0.002893(13) 0.05666(18) Uani 1 1 d .
Ag11 Ag 0.23664(3) 0.229518(15) -0.041167(15) 0.05763(18) Uani 1 1 d .
Ag12 Ag 0.21549(3) 0.208086(15) 0.048130(14) 0.05603(17) Uani 1 1 d .
Ag13 Ag 0.34770(4) 0.182174(17) -0.000097(14) 0.0697(2) Uani 1 1 d .
N1 N 0.7020(3) -0.19058(11) -0.26285(15) 0.0389(13) Uani 1 1 d .
N2 N 0.7646(3) -0.19026(11) -0.24484(14) 0.0377(13) Uani 1 1 d .
N3 N 0.6369(3) -0.11444(11) -0.30093(14) 0.0388(13) Uani 1 1 d .
N4 N 0.6656(3) -0.09014(11) -0.28782(13) 0.0396(13) Uani 1 1 d .
N5 N 0.7995(3) -0.09450(12) -0.19936(14) 0.0432(14) Uani 1 1 d .
N6 N 0.8377(3) -0.11872(12) -0.19689(14) 0.0429(14) Uani 1 1 d .
N13 N 0.4345(3) -0.14698(11) -0.29534(14) 0.0394(13) Uani 1 1 d .
N14 N 0.4173(3) -0.12082(11) -0.30845(15) 0.0459(15) Uani 1 1 d .
N15 N 0.4713(3) -0.04632(11) -0.26109(15) 0.0412(14) Uani 1 1 d .
N16 N 0.4672(3) 0.07252(12) -0.24288(16) 0.0462(15) Uani 1 1 d .
N17 N 0.4296(3) 0.16920(11) -0.20773(14) 0.0384(13) Uani 1 1 d .
N18 N 0.3896(3) 0.14579(11) -0.20214(14) 0.0408(14) Uani 1 1 d .
C1 C 0.6175(4) -0.22446(16) -0.2872(2) 0.058(2) Uani 1 1 d .
H1A H 0.6120 -0.2120 -0.3081 0.087 Uiso 1 1 calc R
H1B H 0.5781 -0.2224 -0.2707 0.087 Uiso 1 1 calc R
H1C H 0.6199 -0.2436 -0.2959 0.087 Uiso 1 1 calc R
C2 C 0.6828(3) -0.21743(13) -0.26713(18) 0.0367(15) Uani 1 1 d .
C3 C 0.7321(3) -0.23487(12) -0.25103(17) 0.0343(14) Uani 1 1 d .
C4 C 0.7821(3) -0.21677(13) -0.23735(17) 0.0343(14) Uani 1 1 d .
C5 C 0.8482(4) -0.22298(15) -0.21773(19) 0.0450(17) Uani 1 1 d .
H5A H 0.8530 -0.2106 -0.1967 0.067 Uiso 1 1 calc R
H5B H 0.8872 -0.2202 -0.2344 0.067 Uiso 1 1 calc R
H5C H 0.8478 -0.2422 -0.2093 0.067 Uiso 1 1 calc R
C6 C 0.5803(4) -0.13173(16) -0.3572(2) 0.0523(19) Uani 1 1 d .
H6A H 0.5497 -0.1425 -0.3413 0.078 Uiso 1 1 calc R
H6B H 0.6154 -0.1439 -0.3677 0.078 Uiso 1 1 calc R
H6C H 0.5534 -0.1233 -0.3769 0.078 Uiso 1 1 calc R
C7 C 0.6149(3) -0.10946(13) -0.33508(16) 0.0349(15) Uani 1 1 d .
C8 C 0.6280(3) -0.08204(13) -0.34477(15) 0.0324(14) Uani 1 1 d .
C9 C 0.6598(3) -0.07048(13) -0.31399(16) 0.0356(15) Uani 1 1 d .
C10 C 0.6848(5) -0.04171(14) -0.3075(2) 0.057(2) Uani 1 1 d .
H10A H 0.7150 -0.0414 -0.2861 0.085 Uiso 1 1 calc R
H10B H 0.6452 -0.0295 -0.3033 0.085 Uiso 1 1 calc R
H10C H 0.7104 -0.0353 -0.3290 0.085 Uiso 1 1 calc R
C11 C 0.7825(5) -0.05062(15) -0.1651(2) 0.064(2) Uani 1 1 d .
H11A H 0.7538 -0.0462 -0.1864 0.095 Uiso 1 1 calc R
H11B H 0.8190 -0.0368 -0.1627 0.095 Uiso 1 1 calc R
H11C H 0.7539 -0.0506 -0.1430 0.095 Uiso 1 1 calc R
C12 C 0.8141(4) -0.07849(14) -0.17007(16) 0.0398(16) Uani 1 1 d .
C13 C 0.8614(3) -0.09238(14) -0.14773(16) 0.0369(15) Uani 1 1 d .
C14 C 0.8752(4) -0.11706(15) -0.16552(17) 0.0406(16) Uani 1 1 d .
C15 C 0.9229(4) -0.14003(18) -0.1544(2) 0.067(2) Uani 1 1 d .
H15A H 0.9227 -0.1544 -0.1733 0.101 Uiso 1 1 calc R
H15B H 0.9073 -0.1479 -0.1312 0.101 Uiso 1 1 calc R
H15C H 0.9697 -0.1328 -0.1515 0.101 Uiso 1 1 calc R
C31 C 0.4271(5) -0.19580(15) -0.3154(2) 0.057(2) Uani 1 1 d .
H31A H 0.4678 -0.1986 -0.3000 0.086 Uiso 1 1 calc R
H31B H 0.4343 -0.2048 -0.3391 0.086 Uiso 1 1 calc R
H31C H 0.3866 -0.2038 -0.3034 0.086 Uiso 1 1 calc R
C32 C 0.4159(4) -0.16562(14) -0.32111(16) 0.0381(16) Uani 1 1 d .
C33 C 0.3874(3) -0.15202(13) -0.35136(16) 0.0344(15) Uani 1 1 d .
C34 C 0.3888(4) -0.12388(15) -0.34178(18) 0.0438(17) Uani 1 1 d .
C35 C 0.3637(5) -0.09928(17) -0.3631(2) 0.076(3) Uani 1 1 d .
H35A H 0.3535 -0.0841 -0.3463 0.114 Uiso 1 1 calc R
H35B H 0.3219 -0.1043 -0.3766 0.114 Uiso 1 1 calc R
H35C H 0.3995 -0.0935 -0.3804 0.114 Uiso 1 1 calc R
C36 C 0.3931(4) -0.01283(16) -0.2920(2) 0.054(2) Uani 1 1 d .
H36A H 0.3866 -0.0274 -0.3103 0.082 Uiso 1 1 calc R
H36B H 0.4016 0.0048 -0.3044 0.082 Uiso 1 1 calc R
H36C H 0.3516 -0.0113 -0.2769 0.082 Uiso 1 1 calc R
C37 C 0.4540(4) -0.01987(15) -0.26803(18) 0.0409(16) Uani 1 1 d .
C38A C 0.5000 -0.00233(19) -0.2500 0.036(2) Uani 1 2 d S
C38 C 0.5000 0.0282(2) -0.2500 0.039(2) Uani 1 2 d S
C39 C 0.4472(4) 0.04588(13) -0.23840(18) 0.0384(15) Uani 1 1 d .
C40 C 0.3783(4) 0.03937(16) -0.2219(2) 0.062(2) Uani 1 1 d .
H40A H 0.3705 0.0513 -0.2006 0.093 Uiso 1 1 calc R
H40B H 0.3773 0.0200 -0.2142 0.093 Uiso 1 1 calc R
H40C H 0.3420 0.0426 -0.2400 0.093 Uiso 1 1 calc R
C41 C 0.4617(4) 0.21267(15) -0.1753(2) 0.054(2) Uani 1 1 d .
H41A H 0.4807 0.2175 -0.1993 0.081 Uiso 1 1 calc R
H41B H 0.4992 0.2108 -0.1576 0.081 Uiso 1 1 calc R
H41C H 0.4300 0.2272 -0.1673 0.081 Uiso 1 1 calc R
C42 C 0.4235(3) 0.18582(13) -0.17820(16) 0.0355(15) Uani 1 1 d .
C43 C 0.3787(3) 0.17335(14) -0.15321(16) 0.0351(15) Uani 1 1 d .
C44 C 0.3594(4) 0.14865(15) -0.16919(17) 0.0417(16) Uani 1 1 d .
C45 C 0.3111(4) 0.12621(17) -0.1551(2) 0.060(2) Uani 1 1 d .
H45A H 0.2901 0.1166 -0.1758 0.090 Uiso 1 1 calc R
H45B H 0.2749 0.1346 -0.1401 0.090 Uiso 1 1 calc R
H45C H 0.3373 0.1130 -0.1403 0.090 Uiso 1 1 calc R
N7 N 0.9613(3) -0.06338(13) -0.07127(14) 0.0453(15) Uani 1 1 d .
N8 N 0.9056(3) -0.07372(14) -0.05287(14) 0.0538(17) Uani 1 1 d .
C16 C 1.0056(4) -0.0601(2) -0.1350(2) 0.069(3) Uani 1 1 d .
H16A H 1.0443 -0.0511 -0.1226 0.103 Uiso 1 1 calc R
H16B H 0.9849 -0.0472 -0.1524 0.103 Uiso 1 1 calc R
H16C H 1.0223 -0.0765 -0.1481 0.103 Uiso 1 1 calc R
C17 C 0.9527(4) -0.06861(15) -0.10735(16) 0.0414(17) Uani 1 1 d .
C18 C 0.8912(3) -0.08257(14) -0.11269(16) 0.0368(15) Uani 1 1 d .
C19 C 0.8633(4) -0.08578(17) -0.07757(17) 0.054(2) Uani 1 1 d .
C20 C 0.7956(5) -0.0989(3) -0.0661(2) 0.103(4) Uani 1 1 d .
H20A H 0.7990 -0.1052 -0.0407 0.155 Uiso 1 1 calc R
H20B H 0.7858 -0.1148 -0.0819 0.155 Uiso 1 1 calc R
H20C H 0.7584 -0.0854 -0.0683 0.155 Uiso 1 1 calc R
N19 N 0.3112(3) 0.20916(14) -0.07186(15) 0.0543(17) Uani 1 1 d .
N20 N 0.3495(3) 0.18861(16) -0.05618(15) 0.062(2) Uani 1 1 d .
C46 C 0.2776(5) 0.2253(2) -0.1345(2) 0.086(3) Uani 1 1 d .
H46A H 0.2286 0.2256 -0.1281 0.128 Uiso 1 1 calc R
H46B H 0.2831 0.2187 -0.1596 0.128 Uiso 1 1 calc R
H46C H 0.2966 0.2440 -0.1324 0.128 Uiso 1 1 calc R
C47 C 0.3158(4) 0.20616(17) -0.10853(17) 0.051(2) Uani 1 1 d .
C48 C 0.3586(3) 0.18421(14) -0.11676(16) 0.0374(15) Uani 1 1 d .
C49 C 0.3788(4) 0.17344(19) -0.08276(18) 0.059(2) Uani 1 1 d .
C50 C 0.4248(5) 0.1491(2) -0.0742(2) 0.090(4) Uani 1 1 d .
H50A H 0.4316 0.1477 -0.0478 0.135 Uiso 1 1 calc R
H50B H 0.4696 0.1516 -0.0863 0.135 Uiso 1 1 calc R
H50C H 0.4032 0.1321 -0.0832 0.135 Uiso 1 1 calc R
N9 N 1.1015(3) -0.00917(13) 0.01942(13) 0.0423(14) Uani 1 1 d .
N10 N 1.1114(3) -0.02065(14) -0.01499(15) 0.0499(16) Uani 1 1 d .
C21 C 1.1691(4) 0.01297(17) 0.06913(18) 0.052(2) Uani 1 1 d .
H21A H 1.1243 0.0203 0.0769 0.078 Uiso 1 1 calc R
H21B H 1.2030 0.0280 0.0685 0.078 Uiso 1 1 calc R
H21C H 1.1842 -0.0012 0.0865 0.078 Uiso 1 1 calc R
C22 C 1.1625(3) 0.00045(15) 0.03142(16) 0.0372(15) Uani 1 1 d .
C23 C 1.2132(3) -0.00375(15) 0.00461(17) 0.0417(17) Uani 1 1 d .
C24 C 1.1779(3) -0.01740(16) -0.02401(17) 0.0446(18) Uani 1 1 d .
C25 C 1.2039(4) -0.0285(2) -0.0606(2) 0.071(3) Uani 1 1 d .
H25A H 1.1812 -0.0461 -0.0659 0.106 Uiso 1 1 calc R
H25B H 1.2539 -0.0314 -0.0593 0.106 Uiso 1 1 calc R
H25C H 1.1934 -0.0153 -0.0800 0.106 Uiso 1 1 calc R
N21 N 0.2888(3) 0.18517(14) 0.07533(14) 0.0515(17) Uani 1 1 d .
N22 N 0.3418(3) 0.17387(16) 0.05565(15) 0.062(2) Uani 1 1 d .
C51 C 0.2486(4) 0.1889(2) 0.13958(19) 0.072(3) Uani 1 1 d .
H51A H 0.2054 0.1943 0.1277 0.108 Uiso 1 1 calc R
H51B H 0.2680 0.2048 0.1526 0.108 Uiso 1 1 calc R
H51C H 0.2397 0.1739 0.1570 0.108 Uiso 1 1 calc R
C52 C 0.2989(4) 0.17918(15) 0.11110(17) 0.0427(17) Uani 1 1 d .
C53 C 0.3588(3) 0.16360(15) 0.11456(17) 0.0398(16) Uani 1 1 d .
C54 C 0.3848(4) 0.16080(19) 0.07914(18) 0.059(2) Uani 1 1 d .
C55 C 0.4478(5) 0.1464(3) 0.0659(2) 0.105(4) Uani 1 1 d .
H55A H 0.4490 0.1276 0.0760 0.158 Uiso 1 1 calc R
H55B H 0.4888 0.1565 0.0740 0.158 Uiso 1 1 calc R
H55C H 0.4471 0.1455 0.0392 0.158 Uiso 1 1 calc R
N11 N 0.8921(3) -0.05938(14) 0.05959(14) 0.0501(16) Uani 1 1 d .
N12 N 0.9356(3) -0.04106(13) 0.07670(14) 0.0453(15) Uani 1 1 d .
C26 C 0.8116(5) -0.09740(18) 0.0749(2) 0.071(3) Uani 1 1 d .
H26A H 0.7751 -0.0981 0.0933 0.106 Uiso 1 1 calc R
H26B H 0.8346 -0.1154 0.0735 0.106 Uiso 1 1 calc R
H26C H 0.7915 -0.0929 0.0510 0.106 Uiso 1 1 calc R
C27 C 0.8629(4) -0.07573(16) 0.08513(18) 0.0457(18) Uani 1 1 d .
C28 C 0.8882(3) -0.06853(14) 0.11956(15) 0.0360(15) Uani 1 1 d .
C29 C 0.9339(3) -0.04661(15) 0.11313(16) 0.0388(16) Uani 1 1 d .
C30 C 0.9779(4) -0.03085(18) 0.13951(19) 0.065(3) Uani 1 1 d .
H30A H 1.0206 -0.0252 0.1273 0.097 Uiso 1 1 calc R
H30B H 0.9890 -0.0426 0.1605 0.097 Uiso 1 1 calc R
H30C H 0.9529 -0.0145 0.1480 0.097 Uiso 1 1 calc R
N23 N 0.1480(3) 0.24084(15) -0.01294(15) 0.0563(18) Uani 1 1 d .
N24 N 0.1377(3) 0.22871(14) 0.02113(15) 0.0543(18) Uani 1 1 d .
C56 C 0.0803(4) 0.26363(19) -0.0617(2) 0.065(2) Uani 1 1 d .
H56A H 0.0441 0.2777 -0.0612 0.098 Uiso 1 1 calc R
H56B H 0.0683 0.2494 -0.0796 0.098 Uiso 1 1 calc R
H56C H 0.1242 0.2722 -0.0686 0.098 Uiso 1 1 calc R
C57 C 0.0871(4) 0.25070(16) -0.02433(17) 0.0471(18) Uani 1 1 d .
C58 C 0.0364(4) 0.24595(18) 0.00259(18) 0.052(2) Uani 1 1 d .
C59 C 0.0716(4) 0.23216(18) 0.0306(2) 0.058(2) Uani 1 1 d .
C60 C 0.0444(4) 0.2204(2) 0.0660(2) 0.085(3) Uani 1 1 d .
H60A H 0.0681 0.2031 0.0714 0.128 Uiso 1 1 calc R
H60B H -0.0052 0.2170 0.0637 0.128 Uiso 1 1 calc R
H60C H 0.0527 0.2336 0.0858 0.128 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 Ag1 N3 168.3(2) . .
N1 Ag1 Ag4 109.42(16) . .
N3 Ag1 Ag4 81.51(16) . .
N1 Ag1 Ag3 61.84(15) . .
N3 Ag1 Ag3 114.98(15) . .
Ag4 Ag1 Ag3 128.344(19) . .
N4 Ag2 N5 174.2(2) . .
N4 Ag2 Ag5 68.42(16) . 3_654
N5 Ag2 Ag5 117.23(17) . 3_654
N4 Ag2 Ag3 115.15(15) . .
N5 Ag2 Ag3 61.47(16) . .
Ag5 Ag2 Ag3 118.88(2) 3_654 .
N2 Ag3 N6 166.1(2) . .
N2 Ag3 Ag1 60.10(15) . .
N6 Ag3 Ag1 121.11(16) . .
N2 Ag3 Ag2 121.71(15) . .
N6 Ag3 Ag2 60.41(16) . .
Ag1 Ag3 Ag2 61.753(16) . .
N13 Ag4 N13 176.7(3) 3_654 .
N13 Ag4 Ag1 109.44(16) 3_654 3_654
N13 Ag4 Ag1 70.78(16) . 3_654
N13 Ag4 Ag1 70.78(16) 3_654 .
N13 Ag4 Ag1 109.44(16) . .
Ag1 Ag4 Ag1 172.77(3) 3_654 .
N14 Ag5 N15 170.9(2) . .
N14 Ag5 Ag5 118.91(16) . 3_654
N15 Ag5 Ag5 62.60(15) . 3_654
N14 Ag5 Ag2 80.30(18) . 3_654
N15 Ag5 Ag2 106.87(16) . 3_654
Ag5 Ag5 Ag2 121.12(3) 3_654 3_654
N17 Ag6 N17 178.7(3) . 3_654
N17 Ag6 Ag7 117.87(15) . 3_654
N17 Ag6 Ag7 60.88(15) 3_654 3_654
N17 Ag6 Ag7 60.88(15) . .
N17 Ag6 Ag7 117.87(15) 3_654 .
Ag7 Ag6 Ag7 61.44(2) 3_654 .
N16 Ag7 N18 166.2(2) . .
N16 Ag7 Ag6 118.95(16) . .
N18 Ag7 Ag6 60.94(15) . .
N12 Ag8 N9 166.8(3) . .
N12 Ag8 Ag9 105.73(18) . 9_755
N9 Ag8 Ag9 87.15(17) . 9_755
N10 Ag9 N7 175.8(3) . .
N10 Ag9 Ag8 77.21(19) . 9_755
N7 Ag9 Ag8 106.58(18) . 9_755
N10 Ag9 Ag10 120.08(15) . .
N7 Ag9 Ag10 61.58(15) . .
Ag8 Ag9 Ag10 97.37(2) 9_755 .
N11 Ag10 N8 174.3(3) . .
N11 Ag10 Ag9 118.27(16) . .
N8 Ag10 Ag9 60.96(16) . .
N23 Ag11 N19 165.5(3) . .
N23 Ag11 Ag12 91.7(2) . 13
N19 Ag11 Ag12 101.8(2) . 13
N21 Ag12 N24 176.1(3) . .
N21 Ag12 Ag11 110.5(2) . 13
N24 Ag12 Ag11 73.4(2) . 13
N21 Ag12 Ag13 61.61(15) . .
N24 Ag12 Ag13 119.26(16) . .
Ag11 Ag12 Ag13 95.19(2) 13 .
N20 Ag13 N22 176.7(3) . .
N20 Ag13 Ag12 118.44(17) . .
N22 Ag13 Ag12 61.02(16) . .
C2 N1 N2 107.8(5) . .
C2 N1 Ag1 135.4(4) . .
N2 N1 Ag1 116.7(4) . .
C4 N2 N1 107.8(5) . .
C4 N2 Ag3 130.6(4) . .
N1 N2 Ag3 120.8(4) . .
C7 N3 N4 107.2(5) . .
C7 N3 Ag1 127.4(4) . .
N4 N3 Ag1 121.4(4) . .
C9 N4 N3 108.6(5) . .
C9 N4 Ag2 130.1(5) . .
N3 N4 Ag2 119.1(4) . .
C12 N5 N6 108.7(5) . .
C12 N5 Ag2 133.8(5) . .
N6 N5 Ag2 117.2(4) . .
C14 N6 N5 106.9(5) . .
C14 N6 Ag3 129.8(5) . .
N5 N6 Ag3 119.5(4) . .
C32 N13 N14 107.6(5) . .
C32 N13 Ag4 134.0(5) . .
N14 N13 Ag4 116.4(4) . .
C34 N14 N13 108.0(5) . .
C34 N14 Ag5 127.9(5) . .
N13 N14 Ag5 124.0(4) . .
C37 N15 N15 108.2(4) . 3_654
C37 N15 Ag5 134.5(4) . .
N15 N15 Ag5 116.68(17) 3_654 .
C39 N16 N16 108.0(4) . 3_654
C39 N16 Ag7 131.7(5) . .
N16 N16 Ag7 119.96(17) 3_654 .
C42 N17 N18 108.6(5) . .
C42 N17 Ag6 130.6(5) . .
N18 N17 Ag6 119.3(4) . .
C44 N18 N17 106.9(5) . .
C44 N18 Ag7 128.2(5) . .
N17 N18 Ag7 117.3(4) . .
N1 C2 C3 109.9(6) . .
N1 C2 C1 120.2(6) . .
C3 C2 C1 129.9(6) . .
C4 C3 C2 104.2(5) . .
C4 C3 C3 127.4(5) . 8_444
C2 C3 C3 128.5(5) . 8_444
N2 C4 C3 110.3(6) . .
N2 C4 C5 120.1(6) . .
C3 C4 C5 129.7(6) . .
N3 C7 C8 110.4(5) . .
N3 C7 C6 120.8(6) . .
C8 C7 C6 128.8(6) . .
C7 C8 C9 104.9(5) . .
C7 C8 C28 126.8(6) . 12_755
C9 C8 C28 128.3(6) . 12_755
N4 C9 C8 108.9(6) . .
N4 C9 C10 121.1(5) . .
C8 C9 C10 130.0(6) . .
N5 C12 C13 108.9(6) . .
N5 C12 C11 121.9(6) . .
C13 C12 C11 129.2(6) . .
C14 C13 C12 105.5(5) . .
C14 C13 C18 127.2(6) . .
C12 C13 C18 127.2(6) . .
N6 C14 C13 110.0(6) . .
N6 C14 C15 120.9(6) . .
C13 C14 C15 129.1(6) . .
N13 C32 C33 109.9(6) . .
N13 C32 C31 121.1(6) . .
C33 C32 C31 128.9(6) . .
C32 C33 C34 104.6(5) . .
C32 C33 C53 129.5(6) . 11
C34 C33 C53 125.9(6) . 11
N14 C34 C33 109.9(6) . .
N14 C34 C35 121.0(6) . .
C33 C34 C35 129.1(6) . .
N15 C37 C38A 109.2(6) . .
N15 C37 C36 121.3(6) . .
C38A C37 C36 129.5(7) . .
C37 C38A C37 105.1(8) . 3_654
C37 C38A C38 127.4(4) . .
C37 C38A C38 127.4(4) 3_654 .
C39 C38 C39 104.5(8) . 3_654
C39 C38 C38A 127.8(4) . .
C39 C38 C38A 127.8(4) 3_654 .
N16 C39 C38 109.7(6) . .
N16 C39 C40 120.2(6) . .
C38 C39 C40 130.1(6) . .
N17 C42 C43 108.6(6) . .
N17 C42 C41 121.9(6) . .
C43 C42 C41 129.5(6) . .
C44 C43 C42 105.4(5) . .
C44 C43 C48 127.9(6) . .
C42 C43 C48 126.6(6) . .
N18 C44 C43 110.4(6) . .
N18 C44 C45 119.8(6) . .
C43 C44 C45 129.8(6) . .
C17 N7 N8 108.2(5) . .
C17 N7 Ag9 132.5(5) . .
N8 N7 Ag9 118.9(4) . .
C19 N8 N7 108.0(5) . .
C19 N8 Ag10 133.1(5) . .
N7 N8 Ag10 118.5(4) . .
N7 C17 C18 109.6(6) . .
N7 C17 C16 121.4(6) . .
C18 C17 C16 129.0(6) . .
C17 C18 C19 104.9(5) . .
C17 C18 C13 127.9(6) . .
C19 C18 C13 127.2(6) . .
N8 C19 C18 109.3(6) . .
N8 C19 C20 121.4(6) . .
C18 C19 C20 129.3(6) . .
C47 N19 N20 107.5(6) . .
C47 N19 Ag11 129.2(5) . .
N20 N19 Ag11 119.8(4) . .
C49 N20 N19 108.9(6) . .
C49 N20 Ag13 129.8(5) . .
N19 N20 Ag13 120.9(4) . .
N19 C47 C48 109.8(6) . .
N19 C47 C46 121.4(7) . .
C48 C47 C46 128.8(6) . .
C47 C48 C49 105.1(6) . .
C47 C48 C43 128.7(6) . .
C49 C48 C43 126.2(6) . .
N20 C49 C48 108.6(7) . .
N20 C49 C50 121.8(6) . .
C48 C49 C50 129.6(7) . .
C22 N9 N10 108.2(5) . .
C22 N9 Ag8 131.9(4) . .
N10 N9 Ag8 116.4(4) . .
C24 N10 N9 108.0(5) . .
C24 N10 Ag9 129.5(5) . .
N9 N10 Ag9 122.4(4) . .
N9 C22 C23 109.8(5) . .
N9 C22 C21 120.7(6) . .
C23 C22 C21 129.5(6) . .
C22 C23 C24 104.2(5) . .
C22 C23 C23 130.0(5) . 2_755
C24 C23 C23 125.7(5) . 2_755
N10 C24 C23 109.8(6) . .
N10 C24 C25 119.4(6) . .
C23 C24 C25 130.8(6) . .
C52 N21 N22 108.3(5) . .
C52 N21 Ag12 133.0(5) . .
N22 N21 Ag12 118.7(4) . .
C54 N22 N21 108.4(5) . .
C54 N22 Ag13 132.7(5) . .
N21 N22 Ag13 118.6(4) . .
N21 C52 C53 109.0(6) . .
N21 C52 C51 120.6(6) . .
C53 C52 C51 130.5(6) . .
C52 C53 C54 105.6(6) . .
C52 C53 C33 126.7(6) . 11_556
C54 C53 C33 127.7(6) . 11_556
N22 C54 C53 108.7(6) . .
N22 C54 C55 121.3(6) . .
C53 C54 C55 130.0(6) . .
C27 N11 N12 108.7(5) . .
C27 N11 Ag10 128.7(5) . .
N12 N11 Ag10 120.8(4) . .
C29 N12 N11 107.6(5) . .
C29 N12 Ag8 128.4(5) . .
N11 N12 Ag8 120.2(4) . .
N11 C27 C28 109.3(6) . .
N11 C27 C26 121.2(6) . .
C28 C27 C26 129.6(6) . .
C27 C28 C29 105.1(5) . .
C27 C28 C8 127.2(6) . 12_756
C29 C28 C8 127.7(6) . 12_756
N12 C29 C28 109.3(6) . .
N12 C29 C30 121.1(6) . .
C28 C29 C30 129.7(5) . .
C57 N23 N24 107.6(6) . .
C57 N23 Ag11 131.9(5) . .
N24 N23 Ag11 116.9(4) . .
C59 N24 N23 108.4(6) . .
C59 N24 Ag12 129.6(5) . .
N23 N24 Ag12 121.9(4) . .
N23 C57 C58 109.8(6) . .
N23 C57 C56 120.4(6) . .
C58 C57 C56 129.7(7) . .
C59 C58 C57 104.4(6) . .
C59 C58 C58 126.7(6) . 6_455
C57 C58 C58 128.9(6) . 6_455
N24 C59 C58 109.7(7) . .
N24 C59 C60 120.6(7) . .
C58 C59 C60 129.5(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.059(5) .
Ag1 N3 2.061(5) .
Ag1 Ag4 3.2682(6) .
Ag1 Ag3 3.3607(7) .
Ag2 N4 2.059(5) .
Ag2 N5 2.059(5) .
Ag2 Ag5 3.3519(9) 3_654
Ag2 Ag3 3.3670(8) .
Ag3 N2 2.062(5) .
Ag3 N6 2.063(5) .
Ag4 N13 2.069(5) 3_654
Ag4 N13 2.069(5) .
Ag4 Ag1 3.2682(6) 3_654
Ag5 N14 2.053(5) .
Ag5 N15 2.057(5) .
Ag5 Ag5 3.2440(11) 3_654
Ag5 Ag2 3.3519(9) 3_654
Ag6 N17 2.042(5) .
Ag6 N17 2.042(5) 3_654
Ag6 Ag7 3.3580(9) 3_654
Ag6 Ag7 3.3580(9) .
Ag7 N16 2.055(6) .
Ag7 N18 2.067(5) .
Ag8 N12 2.058(5) .
Ag8 N9 2.068(5) .
Ag8 Ag9 3.0986(9) 9_755
Ag9 N10 2.040(6) .
Ag9 N7 2.045(5) .
Ag9 Ag8 3.0986(9) 9_755
Ag9 Ag10 3.3336(8) .
Ag10 N11 2.070(5) .
Ag10 N8 2.072(5) .
Ag11 N23 2.058(6) .
Ag11 N19 2.059(6) .
Ag11 Ag12 3.1411(10) 13
Ag12 N21 2.040(5) .
Ag12 N24 2.041(5) .
Ag12 Ag11 3.1411(10) 13
Ag12 Ag13 3.3229(8) .
Ag13 N20 2.054(5) .
Ag13 N22 2.060(5) .
N1 C2 1.348(8) .
N1 N2 1.367(7) .
N2 C4 1.343(8) .
N3 C7 1.328(7) .
N3 N4 1.374(7) .
N4 C9 1.341(8) .
N5 C12 1.339(8) .
N5 N6 1.377(8) .
N6 C14 1.347(8) .
N13 C32 1.341(8) .
N13 N14 1.382(7) .
N14 C34 1.333(8) .
N15 C37 1.336(8) .
N15 N15 1.364(10) 3_654
N16 C39 1.344(8) .
N16 N16 1.363(11) 3_654
N17 C42 1.339(7) .
N17 N18 1.375(7) .
N18 C44 1.334(8) .
C1 C2 1.488(9) .
C2 C3 1.391(9) .
C3 C4 1.387(8) .
C3 C3 1.454(12) 8_444
C4 C5 1.485(9) .
C6 C7 1.490(9) .
C7 C8 1.384(9) .
C8 C9 1.386(8) .
C8 C28 1.478(7) 12_755
C9 C10 1.479(9) .
C11 C12 1.479(10) .
C12 C13 1.386(9) .
C13 C14 1.374(9) .
C13 C18 1.469(8) .
C14 C15 1.487(10) .
C31 C32 1.478(9) .
C32 C33 1.388(8) .
C33 C34 1.394(9) .
C33 C53 1.460(8) 11
C34 C35 1.491(10) .
C36 C37 1.494(9) .
C37 C38A 1.384(8) .
C38A C37 1.384(8) 3_654
C38A C38 1.462(13) .
C38 C39 1.388(8) .
C38 C39 1.388(8) 3_654
C39 C40 1.486(10) .
C41 C42 1.486(9) .
C42 C43 1.384(8) .
C43 C44 1.370(9) .
C43 C48 1.470(8) .
C44 C45 1.510(10) .
N7 C17 1.341(7) .
N7 N8 1.355(8) .
N8 C19 1.339(8) .
C16 C17 1.484(9) .
C17 C18 1.371(9) .
C18 C19 1.389(9) .
C19 C20 1.503(10) .
N19 C47 1.339(8) .
N19 N20 1.355(8) .
N20 C49 1.331(9) .
C46 C47 1.504(10) .
C47 C48 1.369(9) .
C48 C49 1.390(9) .
C49 C50 1.498(11) .
N9 C22 1.332(8) .
N9 N10 1.375(7) .
N10 C24 1.327(8) .
C21 C22 1.497(8) .
C22 C23 1.389(9) .
C23 C24 1.400(8) .
C23 C23 1.459(12) 2_755
C24 C25 1.512(9) .
N21 C52 1.340(8) .
N21 N22 1.355(8) .
N22 C54 1.341(8) .
C51 C52 1.488(9) .
C52 C53 1.377(9) .
C53 C54 1.382(9) .
C53 C33 1.460(8) 11_556
C54 C55 1.474(10) .
N11 C27 1.336(8) .
N11 N12 1.362(7) .
N12 C29 1.346(7) .
C26 C27 1.480(9) .
C27 C28 1.382(8) .
C28 C29 1.388(9) .
C28 C8 1.478(7) 12_756
C29 C30 1.483(9) .
N23 C57 1.328(8) .
N23 N24 1.378(8) .
N24 C59 1.326(9) .
C56 C57 1.494(9) .
C57 C58 1.396(10) .
C58 C59 1.386(10) .
C58 C58 1.452(13) 6_455
C59 C60 1.493(10) .
