#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:40:08 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179591 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/56/4505672.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_4505672
loop_
_publ_author_name
'Pigge, F. Christopher'
'Burgard, Michael D.'
'Rath, Nigam P.'
_publ_section_title
;
 1,3,5-Triaroylbenzenes as Ligands:  Synthesis and Characterization
 of Three New Coordination Polymers from the Tritopic Ligand
 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene
 and Ag(I)X (X = OSO2CF3, BF4, or PF6)
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              331
_journal_paper_doi               10.1021/cg025614p
_journal_volume                  3
_journal_year                    2003
_chemical_formula_sum            'C105 H75 Ag3 B3 F12 N9 O14'
_chemical_formula_weight         2270.78
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 113.896(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.5147(8)
_cell_length_b                   15.7026(6)
_cell_length_c                   28.2414(9)
_cell_measurement_reflns_used    9215
_cell_measurement_temperature    218(2)
_cell_measurement_theta_max      26.3
_cell_measurement_theta_min      2.5
_cell_volume                     10345.0(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL (sheldrick, 1999)'
_computing_publication_material  'Bruker SHELXTL (sheldrick, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      218(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            179124
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    0.650
_exptl_absorpt_correction_T_max  0.9621
_exptl_absorpt_correction_T_min  0.7811
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             4576
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.177
_refine_diff_density_min         -0.620
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1478
_refine_ls_number_reflns         18226
_refine_ls_number_restraints     317
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1273
_refine_ls_R_factor_gt           0.0776
_refine_ls_shift/su_max          0.131
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0841P)²+45.8260P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1995
_refine_ls_wR_factor_ref         0.2353
_reflns_number_gt                11036
_reflns_number_total             18226
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg025614psi20021201_075800.cif
_cod_data_source_block           cmpd5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'no' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        10344.9(6)
_cod_original_sg_symbol_H-M      P2~1~/c
_cod_database_code               4505672
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.67754(3) 0.49702(4) 0.83434(2) 0.0673(2) Uani 1 1 d . . .
Ag2 Ag 0.65502(3) 0.99996(4) 0.82177(2) 0.0616(2) Uani 1 1 d . . .
Ag3 Ag 1.0000 0.5000 1.5000 0.0675(3) Uani 1 2 d S . .
Ag4 Ag 1.0000 0.0000 1.5000 0.0673(3) Uani 1 2 d S . .
N11 N 0.6514(3) 0.5218(4) 0.8965(2) 0.0557(16) Uani 1 1 d . . .
N12 N 0.6362(3) 0.9779(4) 0.8900(2) 0.0602(17) Uani 1 1 d . . .
N13 N 0.9030(3) 0.9217(6) 1.4421(3) 0.089(3) Uani 1 1 d . . .
N21 N 0.7726(3) 0.4381(7) 0.8919(3) 0.109(3) Uani 1 1 d . . .
N22 N 1.0239(3) 0.4669(4) 1.4355(2) 0.0634(17) Uani 1 1 d . . .
N23 N 1.0182(3) 0.0149(4) 1.4322(2) 0.0532(15) Uani 1 1 d . . .
N31 N 0.6906(2) 0.4797(4) 0.7639(2) 0.0489(15) Uani 1 1 d . . .
N32 N 0.6836(3) 0.0370(4) 0.7602(2) 0.0634(18) Uani 1 1 d . . .
O11 O 0.5645(2) 0.5257(3) 1.12120(18) 0.0548(13) Uani 1 1 d . . .
O12 O 0.5809(2) 0.9601(3) 1.13070(17) 0.0511(12) Uani 1 1 d . . .
O13 O 0.6379(3) 0.6807(3) 1.29465(17) 0.0712(17) Uani 1 1 d . . .
O21 O 1.0302(2) 0.1748(4) 1.03344(18) 0.0717(17) Uani 1 1 d . . .
O22 O 1.09323(19) 0.4503(3) 1.20234(16) 0.0431(10) Uani 1 1 d . . .
O23 O 1.0986(2) 0.0129(3) 1.20527(18) 0.0535(12) Uani 1 1 d . . .
O31 O 0.7619(2) 0.4814(3) 0.53131(18) 0.0589(14) Uani 1 1 d . . .
O32 O 0.7659(2) 0.0459(3) 0.5341(2) 0.0593(13) Uani 1 1 d . . .
C101 C 0.6022(2) 0.6639(4) 1.1357(2) 0.0313(13) Uani 1 1 d . . .
C102 C 0.5967(2) 0.7420(4) 1.1106(2) 0.0307(13) Uani 1 1 d . . .
H10A H 0.5840 0.7433 1.0744 0.037 Uiso 1 1 calc R . .
C103 C 0.6094(2) 0.8174(4) 1.1380(2) 0.0313(13) Uani 1 1 d . . .
C104 C 0.6307(2) 0.8148(4) 1.1920(2) 0.0344(13) Uani 1 1 d . . .
H10B H 0.6408 0.8657 1.2111 0.041 Uiso 1 1 calc R . .
C105 C 0.6370(3) 0.7374(4) 1.2176(2) 0.0335(13) Uani 1 1 d . . .
C106 C 0.6211(2) 0.6627(4) 1.1892(2) 0.0341(13) Uani 1 1 d . . .
H10C H 0.6232 0.6106 1.2063 0.041 Uiso 1 1 calc R . .
C107 C 0.5877(3) 0.5818(4) 1.1073(2) 0.0368(14) Uani 1 1 d . . .
C108 C 0.6040(2) 0.5687(3) 1.0620(2) 0.0313(13) Uani 1 1 d . . .
C109 C 0.5760(2) 0.5059(4) 1.0265(2) 0.0368(13) Uani 1 1 d . . .
H10D H 0.5480 0.4724 1.0314 0.044 Uiso 1 1 calc R . .
C110 C 0.5883(3) 0.4918(4) 0.9843(2) 0.0432(15) Uani 1 1 d . . .
H11A H 0.5692 0.4488 0.9604 0.052 Uiso 1 1 calc R . .
C111 C 0.6293(3) 0.5420(4) 0.9775(2) 0.0369(14) Uani 1 1 d . . .
C112 C 0.6593(3) 0.6032(4) 1.0141(2) 0.0407(15) Uani 1 1 d . . .
H11B H 0.6881 0.6356 1.0098 0.049 Uiso 1 1 calc R . .
C113 C 0.6468(2) 0.6160(4) 1.0561(2) 0.0340(13) Uani 1 1 d . . .
H11C H 0.6672 0.6569 1.0811 0.041 Uiso 1 1 calc R . .
C114 C 0.6418(3) 0.5304(4) 0.9325(3) 0.0459(16) Uani 1 1 d . . .
C115 C 0.5979(2) 0.9027(4) 1.1123(2) 0.0343(13) Uani 1 1 d . . .
C116 C 0.6072(2) 0.9155(4) 1.0639(2) 0.0319(13) Uani 1 1 d . . .
C117 C 0.6458(2) 0.8670(4) 1.0520(2) 0.0352(13) Uani 1 1 d . . .
H11D H 0.6663 0.8230 1.0744 0.042 Uiso 1 1 calc R . .
C118 C 0.6543(3) 0.8830(4) 1.0077(2) 0.0396(15) Uani 1 1 d . . .
H11E H 0.6809 0.8507 1.0000 0.048 Uiso 1 1 calc R . .
C119 C 0.6228(3) 0.9477(4) 0.9740(2) 0.0385(14) Uani 1 1 d . . .
C120 C 0.5856(3) 0.9960(4) 0.9860(2) 0.0418(14) Uani 1 1 d . . .
H12A H 0.5648 1.0394 0.9633 0.050 Uiso 1 1 calc R . .
C121 C 0.5781(3) 0.9820(4) 1.0308(2) 0.0384(14) Uani 1 1 d . . .
H12B H 0.5533 1.0171 1.0393 0.046 Uiso 1 1 calc R . .
C122 C 0.6305(3) 0.9633(4) 0.9272(2) 0.0447(16) Uani 1 1 d . . .
C123 C 0.6590(3) 0.7311(4) 1.2750(2) 0.0412(15) Uani 1 1 d . . .
C124 C 0.7089(3) 0.7841(4) 1.3087(2) 0.0351(14) Uani 1 1 d . . .
C125 C 0.7498(3) 0.8105(4) 1.2918(2) 0.0409(15) Uani 1 1 d . . .
H12C H 0.7437 0.8020 1.2570 0.049 Uiso 1 1 calc R . .
C126 C 0.7993(3) 0.8490(5) 1.3249(2) 0.0477(17) Uani 1 1 d . . .
H12D H 0.8270 0.8675 1.3131 0.057 Uiso 1 1 calc R . .
C127 C 0.8075(3) 0.8602(4) 1.3762(2) 0.0464(16) Uani 1 1 d . . .
C128 C 0.7659(3) 0.8370(5) 1.3934(3) 0.0532(18) Uani 1 1 d . . .
H12E H 0.7712 0.8472 1.4278 0.064 Uiso 1 1 calc R . .
C129 C 0.7170(3) 0.7990(4) 1.3595(2) 0.0477(17) Uani 1 1 d . . .
H12F H 0.6885 0.7828 1.3708 0.057 Uiso 1 1 calc R . .
C130 C 0.8608(3) 0.8960(6) 1.4133(3) 0.062(2) Uani 1 1 d . . .
C201 C 1.0336(2) 0.2305(4) 1.1118(2) 0.0349(14) Uani 1 1 d . . .
C202 C 1.0413(2) 0.3069(4) 1.1384(2) 0.0345(13) Uani 1 1 d . . .
H20A H 1.0327 0.3585 1.1199 0.041 Uiso 1 1 calc R . .
C203 C 1.0616(2) 0.3076(4) 1.1924(2) 0.0307(13) Uani 1 1 d . . .
C204 C 1.0727(2) 0.2316(4) 1.2193(2) 0.0315(13) Uani 1 1 d . . .
H20B H 1.0849 0.2318 1.2555 0.038 Uiso 1 1 calc R . .
C205 C 1.0656(2) 0.1549(4) 1.1929(2) 0.0328(13) Uani 1 1 d . . .
C206 C 1.0480(3) 0.1546(4) 1.1392(2) 0.0369(14) Uani 1 1 d . . .
H20C H 1.0458 0.1030 1.1217 0.044 Uiso 1 1 calc R . .
C207 C 1.0115(3) 0.2260(4) 1.0541(2) 0.0418(15) Uani 1 1 d . . .
C208 C 0.9635(3) 0.2834(4) 1.0220(2) 0.0372(14) Uani 1 1 d . . .
C209 C 0.9557(3) 0.3006(4) 0.9713(2) 0.0444(16) Uani 1 1 d . . .
H20D H 0.9833 0.2830 0.9592 0.053 Uiso 1 1 calc R . .
C210 C 0.9076(3) 0.3434(5) 0.9389(2) 0.0504(18) Uani 1 1 d . . .
H21A H 0.9020 0.3545 0.9045 0.060 Uiso 1 1 calc R . .
C211 C 0.8679(3) 0.3698(5) 0.9567(3) 0.0503(17) Uani 1 1 d . . .
C212 C 0.8751(3) 0.3526(4) 1.0074(2) 0.0469(16) Uani 1 1 d . . .
H21B H 0.8470 0.3693 1.0192 0.056 Uiso 1 1 calc R . .
C213 C 0.9231(3) 0.3114(4) 1.0396(2) 0.0423(15) Uani 1 1 d . . .
H21C H 0.9290 0.3019 1.0743 0.051 Uiso 1 1 calc R . .
C214 C 0.8157(4) 0.4097(6) 0.9210(3) 0.071(2) Uani 1 1 d . . .
C215 C 1.0741(2) 0.3919(4) 1.2195(2) 0.0309(13) Uani 1 1 d . . .
C216 C 1.0628(2) 0.4053(4) 1.2669(2) 0.0306(13) Uani 1 1 d . . .
C217 C 1.0911(3) 0.4708(4) 1.3003(2) 0.0355(14) Uani 1 1 d . . .
H21D H 1.1173 0.5048 1.2930 0.043 Uiso 1 1 calc R . .
C218 C 1.0815(3) 0.4871(4) 1.3440(2) 0.0425(15) Uani 1 1 d . . .
H21E H 1.1016 0.5306 1.3671 0.051 Uiso 1 1 calc R . .
C219 C 1.0408(3) 0.4369(4) 1.3531(2) 0.0406(15) Uani 1 1 d . . .
C220 C 1.0109(3) 0.3737(4) 1.3193(2) 0.0402(15) Uani 1 1 d . . .
H22A H 0.9832 0.3416 1.3255 0.048 Uiso 1 1 calc R . .
C221 C 1.0218(3) 0.3579(4) 1.2762(2) 0.0372(14) Uani 1 1 d . . .
H22B H 1.0015 0.3149 1.2529 0.045 Uiso 1 1 calc R . .
C222 C 1.0311(3) 0.4530(5) 1.3989(3) 0.0482(17) Uani 1 1 d . . .
C223 C 1.0784(3) 0.0706(4) 1.2202(2) 0.0349(14) Uani 1 1 d . . .
C224 C 1.0632(2) 0.0588(4) 1.2661(2) 0.0316(13) Uani 1 1 d . . .
C225 C 1.0212(3) 0.1070(4) 1.2719(2) 0.0394(15) Uani 1 1 d . . .
H22C H 1.0013 0.1481 1.2469 0.047 Uiso 1 1 calc R . .
C226 C 1.0079(3) 0.0953(4) 1.3146(2) 0.0400(15) Uani 1 1 d . . .
H22D H 0.9792 0.1278 1.3190 0.048 Uiso 1 1 calc R . .
C227 C 1.0385(3) 0.0341(4) 1.3505(2) 0.0370(14) Uani 1 1 d . . .
C228 C 1.0797(3) -0.0168(4) 1.3443(2) 0.0406(15) Uani 1 1 d . . .
H22E H 1.0995 -0.0584 1.3690 0.049 Uiso 1 1 calc R . .
C229 C 1.0911(3) -0.0053(4) 1.3013(2) 0.0362(13) Uani 1 1 d . . .
H22F H 1.1177 -0.0407 1.2957 0.043 Uiso 1 1 calc R . .
C230 C 1.0268(3) 0.0230(4) 1.3962(3) 0.0441(16) Uani 1 1 d . . .
C301 C 0.7314(3) 0.3391(4) 0.5208(2) 0.0376(14) Uani 1 1 d . . .
C302 C 0.7408(2) 0.2628(4) 0.5474(2) 0.0323(13) Uani 1 1 d . . .
H30A H 0.7537 0.2633 0.5837 0.039 Uiso 1 1 calc R . .
C303 C 0.7317(2) 0.1862(4) 0.5216(2) 0.0358(14) Uani 1 1 d . . .
C304 C 0.7103(3) 0.1857(4) 0.4677(2) 0.0416(15) Uani 1 1 d . . .
H30B H 0.7038 0.1337 0.4498 0.050 Uiso 1 1 calc R . .
C305 C 0.6984(3) 0.2617(5) 0.4405(2) 0.0460(16) Uani 1 1 d . A .
C306 C 0.7102(3) 0.3387(4) 0.4668(2) 0.0457(16) Uani 1 1 d . . .
H30C H 0.7040 0.3903 0.4484 0.055 Uiso 1 1 calc R . .
C307 C 0.7429(3) 0.4232(4) 0.5473(2) 0.0408(15) Uani 1 1 d . . .
C308 C 0.7297(2) 0.4347(4) 0.5947(2) 0.0343(13) Uani 1 1 d . . .
C309 C 0.7582(2) 0.4986(4) 0.6289(2) 0.0380(13) Uani 1 1 d . . .
H30D H 0.7847 0.5331 0.6225 0.046 Uiso 1 1 calc R . .
C310 C 0.7477(3) 0.5121(4) 0.6728(2) 0.0392(14) Uani 1 1 d . . .
H31A H 0.7669 0.5554 0.6965 0.047 Uiso 1 1 calc R . .
C311 C 0.7077(3) 0.4594(4) 0.6810(2) 0.0381(14) Uani 1 1 d . . .
C312 C 0.6782(3) 0.3976(4) 0.6459(2) 0.0393(14) Uani 1 1 d . . .
H31B H 0.6509 0.3638 0.6516 0.047 Uiso 1 1 calc R . .
C313 C 0.6888(2) 0.3856(4) 0.6027(2) 0.0386(14) Uani 1 1 d . . .
H31C H 0.6684 0.3439 0.5783 0.046 Uiso 1 1 calc R . .
C314 C 0.6977(3) 0.4713(4) 0.7271(3) 0.0418(15) Uani 1 1 d . . .
C315 C 0.7448(3) 0.1027(4) 0.5492(2) 0.0402(15) Uani 1 1 d . . .
C316 C 0.7301(3) 0.0894(4) 0.5952(2) 0.0362(14) Uani 1 1 d . . .
C317 C 0.6887(3) 0.1382(4) 0.6023(2) 0.0398(15) Uani 1 1 d . . .
H31D H 0.6692 0.1808 0.5782 0.048 Uiso 1 1 calc R . .
C318 C 0.6759(3) 0.1242(4) 0.6448(2) 0.0431(15) Uani 1 1 d . . .
H31E H 0.6477 0.1570 0.6497 0.052 Uiso 1 1 calc R . .
C319 C 0.7053(3) 0.0613(4) 0.6800(2) 0.0391(14) Uani 1 1 d . . .
C320 C 0.7455(3) 0.0113(4) 0.6725(2) 0.0432(15) Uani 1 1 d . . .
H32A H 0.7647 -0.0318 0.6963 0.052 Uiso 1 1 calc R . .
C321 C 0.7575(3) 0.0249(4) 0.6296(2) 0.0409(15) Uani 1 1 d . . .
H32B H 0.7843 -0.0098 0.6239 0.049 Uiso 1 1 calc R . .
C322 C 0.6927(3) 0.0473(4) 0.7247(3) 0.0501(17) Uani 1 1 d . . .
C323 C 0.6731(4) 0.2644(6) 0.3823(3) 0.069(2) Uani 1 1 d . . .
O33 O 0.6875(4) 0.3254(5) 0.3589(3) 0.051(2) Uani 0.565(4) 1 d P A 1
N33 N 0.4458(3) 0.0175(6) 0.2456(3) 0.0384(17) Uani 0.565(4) 1 d P . 1
C324 C 0.6256(4) 0.2097(6) 0.3533(3) 0.028(2) Uani 0.565(4) 1 d PU A 1
C325 C 0.5877(4) 0.1826(6) 0.3737(3) 0.030(2) Uani 0.565(4) 1 d P A 1
H32C H 0.5932 0.1985 0.4075 0.035 Uiso 0.565(4) 1 calc PR A 1
C326 C 0.5392(4) 0.1295(7) 0.3431(4) 0.035(2) Uani 0.565(4) 1 d P A 1
H32D H 0.5126 0.1123 0.3565 0.042 Uiso 0.565(4) 1 calc PR A 1
C327 C 0.5328(4) 0.1055(7) 0.2962(4) 0.039(3) Uani 0.565(4) 1 d P A 1
C328 C 0.5722(5) 0.1316(7) 0.2748(4) 0.043(3) Uani 0.565(4) 1 d P A 1
H32E H 0.5672 0.1126 0.2417 0.052 Uiso 0.565(4) 1 calc PR A 1
C329 C 0.6169(5) 0.1837(7) 0.3021(4) 0.039(3) Uani 0.565(4) 1 d P A 1
H32F H 0.6419 0.2026 0.2873 0.047 Uiso 0.565(4) 1 calc PR A 1
C330 C 0.4849(4) 0.0598(6) 0.2647(4) 0.0286(17) Uani 0.565(4) 1 d P A 1
N33' N 0.4199(4) 0.4154(7) 0.2319(4) 0.0384(17) Uani 0.435(4) 1 d P A 2
O33' O 0.6975(9) 0.1907(13) 0.3636(6) 0.136(8) Uani 0.435(4) 1 d P A 2
C24' C 0.6162(6) 0.2887(10) 0.3518(5) 0.088(7) Uani 0.435(4) 1 d PGU A 2
C25' C 0.5751(8) 0.3148(10) 0.3692(4) 0.131(9) Uani 0.435(4) 1 d PG A 2
H25A H 0.5813 0.3068 0.4041 0.157 Uiso 0.435(4) 1 calc PR A 2
C26' C 0.5247(6) 0.3527(9) 0.3351(7) 0.096(9) Uani 0.435(4) 1 d PG A 2
H26A H 0.4968 0.3703 0.3469 0.116 Uiso 0.435(4) 1 calc PR A 2
C27' C 0.5154(5) 0.3645(9) 0.2835(6) 0.118(12) Uani 0.435(4) 1 d PG A 2
C28' C 0.5566(7) 0.3384(11) 0.2661(4) 0.148(16) Uani 0.435(4) 1 d PG A 2
H28A H 0.5504 0.3464 0.2312 0.177 Uiso 0.435(4) 1 calc PR A 2
C29' C 0.6070(6) 0.3005(11) 0.3002(6) 0.131(9) Uani 0.435(4) 1 d PG A 2
H29A H 0.6348 0.2828 0.2884 0.157 Uiso 0.435(4) 1 calc PR A 2
C30' C 0.4612(5) 0.3790(8) 0.2519(5) 0.0286(17) Uani 0.435(4) 1 d P A 2
O1S O 0.4196(3) 0.7418(4) 0.3340(3) 0.0834(18) Uani 1 1 d . . .
O2S O 0.0903(2) 0.7320(4) 0.1729(2) 0.0699(15) Uani 1 1 d . . .
O3S O 0.2402(3) 0.2652(4) 0.9965(2) 0.0711(15) Uani 1 1 d . . .
O4S O 0.7530(4) 0.9558(8) 0.8858(4) 0.180(5) Uani 1 1 d . . .
O5S O 1.0943(4) 0.5494(10) 1.5642(4) 0.197(6) Uani 1 1 d . . .
C1S C 0.4659(4) 0.7422(6) 0.3689(4) 0.070(2) Uani 1 1 d . . .
C2S C 0.4975(5) 0.6623(6) 0.3911(4) 0.102(3) Uani 1 1 d . . .
H2SA H 0.4755 0.6139 0.3720 0.154 Uiso 1 1 calc R . .
H2SB H 0.5035 0.6577 0.4271 0.154 Uiso 1 1 calc R . .
H2SC H 0.5344 0.6633 0.3886 0.154 Uiso 1 1 calc R . .
C3S C 0.4954(6) 0.8231(7) 0.3932(5) 0.123(4) Uani 1 1 d . . .
H3SA H 0.4717 0.8712 0.3756 0.185 Uiso 1 1 calc R . .
H3SB H 0.5319 0.8266 0.3903 0.185 Uiso 1 1 calc R . .
H3SC H 0.5017 0.8239 0.4294 0.185 Uiso 1 1 calc R . .
C4S C 0.1371(4) 0.7321(5) 0.2084(3) 0.061(2) Uani 1 1 d . . .
C5S C 0.1632(5) 0.8109(6) 0.2379(4) 0.109(4) Uani 1 1 d . . .
H5SA H 0.1379 0.8589 0.2230 0.163 Uiso 1 1 calc R . .
H5SB H 0.1999 0.8212 0.2363 0.163 Uiso 1 1 calc R . .
H5SC H 0.1687 0.8039 0.2738 0.163 Uiso 1 1 calc R . .
C6S C 0.1698(5) 0.6517(6) 0.2254(4) 0.103(4) Uani 1 1 d . . .
H6SA H 0.1486 0.6055 0.2031 0.155 Uiso 1 1 calc R . .
H6SB H 0.1755 0.6394 0.2608 0.155 Uiso 1 1 calc R . .
H6SC H 0.2068 0.6576 0.2235 0.155 Uiso 1 1 calc R . .
C7S C 0.1940(3) 0.2650(5) 0.9604(3) 0.0554(19) Uani 1 1 d . . .
C8S C 0.1613(4) 0.3453(6) 0.9429(4) 0.095(3) Uani 1 1 d . . .
H8SA H 0.1826 0.3918 0.9648 0.142 Uiso 1 1 calc R . .
H8SB H 0.1245 0.3398 0.9452 0.142 Uiso 1 1 calc R . .
H8SC H 0.1552 0.3567 0.9073 0.142 Uiso 1 1 calc R . .
C9S C 0.1681(5) 0.1859(6) 0.9317(4) 0.108(4) Uani 1 1 d . . .
H9SA H 0.1940 0.1385 0.9464 0.162 Uiso 1 1 calc R . .
H9SB H 0.1615 0.1926 0.8956 0.162 Uiso 1 1 calc R . .
H9SC H 0.1320 0.1750 0.9343 0.162 Uiso 1 1 calc R . .
C10S C 0.7937(5) 0.9128(8) 0.8895(5) 0.109(4) Uani 1 1 d . . .
C11S C 0.8097(5) 0.9017(8) 0.8476(6) 0.130(5) Uani 1 1 d . . .
H11F H 0.7810 0.9276 0.8167 0.196 Uiso 1 1 calc R . .
H11G H 0.8124 0.8414 0.8416 0.196 Uiso 1 1 calc R . .
H11H H 0.8465 0.9285 0.8556 0.196 Uiso 1 1 calc R . .
C12S C 0.8308(6) 0.8774(9) 0.9406(6) 0.159(6) Uani 1 1 d . . .
H12G H 0.8141 0.8893 0.9652 0.239 Uiso 1 1 calc R . .
H12H H 0.8685 0.9033 0.9525 0.239 Uiso 1 1 calc R . .
H12I H 0.8342 0.8163 0.9376 0.239 Uiso 1 1 calc R . .
C13S C 1.1322(7) 0.5974(9) 1.5630(6) 0.127(5) Uani 1 1 d . . .
C14S C 1.1440(6) 0.6093(9) 1.5159(6) 0.145(5) Uani 1 1 d . . .
H14A H 1.1148 0.5805 1.4868 0.217 Uiso 1 1 calc R . .
H14B H 1.1813 0.5856 1.5219 0.217 Uiso 1 1 calc R . .
H14C H 1.1437 0.6696 1.5083 0.217 Uiso 1 1 calc R . .
C15S C 1.1779(7) 0.6444(10) 1.6114(7) 0.216(10) Uani 1 1 d . . .
H15A H 1.1689 0.6356 1.6412 0.324 Uiso 1 1 calc R . .
H15B H 1.1773 0.7049 1.6042 0.324 Uiso 1 1 calc R . .
H15C H 1.2158 0.6218 1.6186 0.324 Uiso 1 1 calc R . .
F1 F 0.1873(12) 0.3060(11) 0.3076(9) 0.090(8) Uani 0.50 1 d PDU B 1
F2 F 0.1720(8) 0.1821(15) 0.3263(8) 0.087(8) Uani 0.50 1 d PDU B 1
F3 F 0.2417(6) 0.2433(17) 0.3756(5) 0.116(7) Uani 0.50 1 d PDU B 1
F4 F 0.2553(6) 0.1986(12) 0.3105(8) 0.127(7) Uani 0.50 1 d PDU B 1
F1' F 0.1903(10) 0.2995(11) 0.2935(8) 0.054(4) Uani 0.50 1 d PDU B 2
F2' F 0.1807(10) 0.1676(16) 0.3279(13) 0.115(9) Uani 0.50 1 d PDU B 2
F3' F 0.2626(6) 0.2440(14) 0.3623(9) 0.161(11) Uani 0.50 1 d PDU B 2
F4' F 0.2175(9) 0.1837(9) 0.2824(5) 0.117(6) Uani 0.50 1 d PDU B 2
B1 B 0.2137(3) 0.2295(4) 0.3229(3) 0.056(2) Uani 1 1 d D . .
F5 F 0.1478(10) 0.6983(11) 0.8609(10) 0.090(7) Uani 0.50 1 d PDU C 1
F6 F 0.1563(5) 0.8327(9) 0.8531(7) 0.081(7) Uani 0.50 1 d PDU C 1
F7 F 0.0943(8) 0.7627(19) 0.7952(5) 0.156(9) Uani 0.50 1 d PDU C 1
F8 F 0.0717(7) 0.7941(15) 0.8550(9) 0.143(8) Uani 0.50 1 d PDU C 1
F5' F 0.1378(10) 0.6998(10) 0.8762(9) 0.056(4) Uani 0.50 1 d PDU C 2
F6' F 0.1519(10) 0.8232(15) 0.8359(11) 0.141(10) Uani 0.50 1 d PDU C 2
F7' F 0.0702(7) 0.7627(11) 0.8074(9) 0.159(12) Uani 0.50 1 d PDU C 2
F8' F 0.1152(10) 0.8198(7) 0.8891(5) 0.135(6) Uani 0.50 1 d PDU C 2
B2 B 0.1182(3) 0.7725(5) 0.8487(3) 0.061(2) Uani 1 1 d D . .
F9 F 0.4741(10) 0.8116(10) 0.5388(7) 0.123(9) Uani 0.50 1 d PDU D 1
F10 F 0.4762(7) 0.6861(9) 0.5472(7) 0.139(8) Uani 0.50 1 d PDU D 1
F11 F 0.4159(8) 0.7409(15) 0.4598(7) 0.152(11) Uani 0.50 1 d PDU D 1
F12 F 0.4038(7) 0.7726(14) 0.5138(9) 0.156(10) Uani 0.50 1 d PDU D 2
F9' F 0.4839(8) 0.8137(10) 0.5144(6) 0.086(6) Uani 0.50 1 d PDU D 3
F10' F 0.4863(6) 0.6754(8) 0.5164(6) 0.084(4) Uani 0.50 1 d PDU D 3
F11' F 0.4341(11) 0.727(2) 0.4583(9) 0.201(14) Uani 0.50 1 d PU D 3
F12' F 0.4056(10) 0.7165(13) 0.5209(10) 0.160(10) Uani 0.50 1 d PU D 3
B3 B 0.4516(3) 0.7424(6) 0.5103(4) 0.073(3) Uani 1 1 d 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'
B B 0.0013 0.0007 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
N11 Ag1 N31 170.9(2) . .
N11 Ag1 N21 94.4(3) . .
N31 Ag1 N21 94.7(2) . .
N12 Ag2 N32 171.2(2) . 1_565
N12 Ag2 O4S 80.4(3) . .
N32 Ag2 O4S 95.1(3) 1_565 .
N12 Ag2 N33 97.2(3) . 3_666
N32 Ag2 N33 89.8(3) 1_565 3_666
O4S Ag2 N33 157.8(4) . 3_666
N22 Ag3 N22 180.00(12) 3_768 .
N22 Ag3 O5S 80.4(3) 3_768 .
N22 Ag3 O5S 99.6(3) . .
N22 Ag3 O5S 99.6(3) 3_768 3_768
N22 Ag3 O5S 80.4(3) . 3_768
O5S Ag3 O5S 180.000(4) . 3_768
N23 Ag4 N23 180.000(3) . 3_758
C114 N11 Ag1 173.6(6) . .
C122 N12 Ag2 174.6(6) . .
C214 N21 Ag1 175.9(7) . .
C222 N22 Ag3 173.2(6) . .
C230 N23 Ag4 178.8(6) . .
C314 N31 Ag1 179.4(6) . .
C322 N32 Ag2 170.1(6) . 1_545
C106 C101 C102 118.9(5) . .
C106 C101 C107 118.5(5) . .
C102 C101 C107 122.6(5) . .
C103 C102 C101 121.2(5) . .
C102 C103 C104 119.1(5) . .
C102 C103 C115 122.8(5) . .
C104 C103 C115 118.0(5) . .
C105 C104 C103 120.3(5) . .
C106 C105 C104 119.6(5) . .
C106 C105 C123 117.9(5) . .
C104 C105 C123 122.5(5) . .
C105 C106 C101 120.7(5) . .
O11 C107 C101 120.3(5) . .
O11 C107 C108 120.9(5) . .
C101 C107 C108 118.8(5) . .
C109 C108 C113 119.9(5) . .
C109 C108 C107 118.2(5) . .
C113 C108 C107 121.9(5) . .
C110 C109 C108 120.9(6) . .
C109 C110 C111 118.9(6) . .
C110 C111 C112 120.6(5) . .
C110 C111 C114 120.0(6) . .
C112 C111 C114 119.4(6) . .
C113 C112 C111 119.7(6) . .
C112 C113 C108 119.9(5) . .
N11 C114 C111 179.4(8) . .
O12 C115 C103 119.7(5) . .
O12 C115 C116 120.8(5) . .
C103 C115 C116 119.5(5) . .
C117 C116 C121 119.1(5) . .
C117 C116 C115 122.6(5) . .
C121 C116 C115 118.2(5) . .
C118 C117 C116 120.5(6) . .
C117 C118 C119 119.3(6) . .
C120 C119 C118 120.2(6) . .
C120 C119 C122 120.2(6) . .
C118 C119 C122 119.6(6) . .
C119 C120 C121 120.8(6) . .
C120 C121 C116 120.0(6) . .
N12 C122 C119 178.2(8) . .
O13 C123 C105 120.0(6) . .
O13 C123 C124 119.5(6) . .
C105 C123 C124 120.4(5) . .
C125 C124 C129 119.5(6) . .
C125 C124 C123 121.0(5) . .
C129 C124 C123 119.1(6) . .
C126 C125 C124 121.0(6) . .
C125 C126 C127 118.4(6) . .
C128 C127 C126 121.4(6) . .
C128 C127 C130 118.5(6) . .
C126 C127 C130 120.2(6) . .
C129 C128 C127 118.9(6) . .
C128 C129 C124 120.8(6) . .
N13 C130 C127 177.9(10) . .
C202 C201 C206 119.6(5) . .
C202 C201 C207 122.6(5) . .
C206 C201 C207 117.7(5) . .
C201 C202 C203 120.4(5) . .
C204 C203 C202 119.8(5) . .
C204 C203 C215 121.9(5) . .
C202 C203 C215 118.2(5) . .
C203 C204 C205 120.1(5) . .
C204 C205 C206 120.0(5) . .
C204 C205 C223 122.4(5) . .
C206 C205 C223 117.6(5) . .
C201 C206 C205 120.0(5) . .
O21 C207 C208 119.9(6) . .
O21 C207 C201 120.8(6) . .
C208 C207 C201 119.2(5) . .
C213 C208 C209 119.4(6) . .
C213 C208 C207 121.4(5) . .
C209 C208 C207 118.8(6) . .
C210 C209 C208 119.9(6) . .
C211 C210 C209 120.0(6) . .
C210 C211 C212 120.7(6) . .
C210 C211 C214 119.1(6) . .
C212 C211 C214 120.0(7) . .
C213 C212 C211 119.1(6) . .
C212 C213 C208 120.8(6) . .
N21 C214 C211 176.8(11) . .
O22 C215 C216 120.1(5) . .
O22 C215 C203 119.6(5) . .
C216 C215 C203 120.3(5) . .
C217 C216 C221 119.5(5) . .
C217 C216 C215 118.5(5) . .
C221 C216 C215 121.8(5) . .
C218 C217 C216 121.1(6) . .
C217 C218 C219 118.2(6) . .
C220 C219 C218 121.3(6) . .
C220 C219 C222 120.3(6) . .
C218 C219 C222 118.4(6) . .
C219 C220 C221 119.3(6) . .
C220 C221 C216 120.5(6) . .
N22 C222 C219 179.0(9) . .
O23 C223 C205 121.4(5) . .
O23 C223 C224 120.4(5) . .
C205 C223 C224 118.2(5) . .
C225 C224 C229 120.7(5) . .
C225 C224 C223 121.2(5) . .
C229 C224 C223 118.0(5) . .
C224 C225 C226 120.4(6) . .
C227 C226 C225 117.6(6) . .
C226 C227 C228 122.5(6) . .
C226 C227 C230 118.5(6) . .
C228 C227 C230 119.0(6) . .
C229 C228 C227 118.8(6) . .
C228 C229 C224 119.9(6) . .
N23 C230 C227 179.2(8) . .
C302 C301 C306 119.8(6) . .
C302 C301 C307 122.6(5) . .
C306 C301 C307 117.6(6) . .
C303 C302 C301 120.9(5) . .
C302 C303 C304 119.4(6) . .
C302 C303 C315 122.5(5) . .
C304 C303 C315 118.1(6) . .
C305 C304 C303 120.2(6) . .
C304 C305 C306 120.1(6) . .
C304 C305 C323 122.2(7) . .
C306 C305 C323 117.7(7) . .
C305 C306 C301 119.5(6) . .
O31 C307 C301 120.7(6) . .
O31 C307 C308 120.5(6) . .
C301 C307 C308 118.7(5) . .
C309 C308 C313 120.5(5) . .
C309 C308 C307 117.6(5) . .
C313 C308 C307 121.9(5) . .
C308 C309 C310 120.1(6) . .
C309 C310 C311 118.2(6) . .
C312 C311 C310 121.4(5) . .
C312 C311 C314 120.0(6) . .
C310 C311 C314 118.6(6) . .
C313 C312 C311 119.5(6) . .
C312 C313 C308 120.2(6) . .
N31 C314 C311 178.8(7) . .
O32 C315 C303 120.1(6) . .
O32 C315 C316 120.5(6) . .
C303 C315 C316 119.4(5) . .
C321 C316 C317 120.0(6) . .
C321 C316 C315 118.5(6) . .
C317 C316 C315 121.4(5) . .
C318 C317 C316 120.0(6) . .
C317 C318 C319 119.2(6) . .
C320 C319 C318 121.0(6) . .
C320 C319 C322 119.6(6) . .
C318 C319 C322 119.3(6) . .
C319 C320 C321 119.4(6) . .
C320 C321 C316 120.2(6) . .
N32 C322 C319 178.9(8) . .
O33 C323 C24' 85.5(9) . .
O33 C323 C324 119.8(7) . .
C24' C323 C324 52.6(8) . .
O33 C323 C305 119.5(8) . .
C24' C323 C305 123.9(9) . .
C324 C323 C305 119.7(7) . .
O33 C323 O33' 98.4(11) . .
C24' C323 O33' 117.6(11) . .
C324 C323 O33' 73.4(10) . .
C305 C323 O33' 107.8(9) . .
C330 N33 Ag2 148.6(8) . 3_666
C325 C324 C329 119.1(9) . .
C325 C324 C323 121.2(8) . .
C329 C324 C323 119.7(9) . .
C324 C325 C326 120.1(8) . .
C327 C326 C325 119.3(10) . .
C326 C327 C330 120.6(11) . .
C326 C327 C328 121.3(10) . .
C330 C327 C328 117.9(10) . .
C329 C328 C327 120.5(9) . .
C328 C329 C324 119.6(10) . .
N33 C330 C327 169.9(12) . .
C25' C24' C29' 120.0 . .
C25' C24' C323 127.0(12) . .
C29' C24' C323 111.9(12) . .
C26' C25' C24' 120.0 . .
C25' C26' C27' 120.0 . .
C30' C27' C28' 122.8(14) . .
C30' C27' C26' 114.6(14) . .
C28' C27' C26' 120.0 . .
C27' C28' C29' 120.0 . .
C28' C29' C24' 120.0 . .
N33' C30' C27' 158.5(15) . .
C10S O4S Ag2 141.8(11) . .
C13S O5S Ag3 135.1(12) . .
O1S C1S C2S 122.1(9) . .
O1S C1S C3S 122.0(9) . .
C2S C1S C3S 115.9(9) . .
O2S C4S C6S 120.3(8) . .
O2S C4S C5S 122.2(8) . .
C6S C4S C5S 117.4(9) . .
O3S C7S C8S 120.4(8) . .
O3S C7S C9S 122.0(8) . .
C8S C7S C9S 117.6(8) . .
O4S C10S C11S 121.8(13) . .
O4S C10S C12S 119.0(14) . .
C11S C10S C12S 119.0(12) . .
O5S C13S C14S 122.9(15) . .
O5S C13S C15S 125.0(17) . .
C14S C13S C15S 111.7(16) . .
F3' B1 F2' 117.5(18) . .
F3' B1 F2 123.2(16) . .
F2' B1 F2 13(2) . .
F3' B1 F4 72.7(12) . .
F2' B1 F4 111.5(17) . .
F2 B1 F4 123.9(17) . .
F3' B1 F1 107.1(16) . .
F2' B1 F1 115.1(19) . .
F2 B1 F1 102.0(17) . .
F4 B1 F1 125.6(14) . .
F3' B1 F1' 114.1(16) . .
F2' B1 F1' 120.9(17) . .
F2 B1 F1' 109.2(15) . .
F4 B1 F1' 109.4(12) . .
F1 B1 F1' 19.0(16) . .
F3' B1 F3 32.9(13) . .
F2' B1 F3 94.2(18) . .
F2 B1 F3 95.2(13) . .
F4 B1 F3 102.7(12) . .
F1 B1 F3 100.1(16) . .
F1' B1 F3 116.0(16) . .
F3' B1 F4' 115.5(14) . .
F2' B1 F4' 88.1(17) . .
F2 B1 F4' 95.3(16) . .
F4 B1 F4' 42.9(9) . .
F1 B1 F4' 112.8(13) . .
F1' B1 F4' 94.3(11) . .
F3 B1 F4' 142.3(12) . .
F8 B2 F7' 65.4(12) . .
F8 B2 F6 118.1(15) . .
F7' B2 F6 123.5(14) . .
F8 B2 F6' 127.1(17) . .
F7' B2 F6' 107.7(17) . .
F6 B2 F6' 20.7(19) . .
F8 B2 F5 129.0(13) . .
F7' B2 F5 110.4(16) . .
F6 B2 F5 106.0(14) . .
F6' B2 F5 103.2(16) . .
F8 B2 F5' 106.5(11) . .
F7' B2 F5' 113.9(16) . .
F6 B2 F5' 117.3(13) . .
F6' B2 F5' 122.1(16) . .
F5 B2 F5' 24.9(11) . .
F8 B2 F7 98.8(13) . .
F7' B2 F7 35.0(13) . .
F6 B2 F7 99.5(14) . .
F6' B2 F7 79.6(16) . .
F5 B2 F7 97.8(17) . .
F5' B2 F7 115.3(17) . .
F8 B2 F8' 53.0(11) . .
F7' B2 F8' 116.8(14) . .
F6 B2 F8' 79.8(13) . .
F6' B2 F8' 99.2(15) . .
F5 B2 F8' 117.4(14) . .
F5' B2 F8' 96.3(11) . .
F7 B2 F8' 143.8(14) . .
F10 B3 F9 96.8(13) . .
F10 B3 F10' 45.0(10) . .
F9 B3 F10' 117.5(14) . .
F10 B3 F11 136.7(14) . .
F9 B3 F11 126.5(16) . .
F10' B3 F11 104.6(12) . .
F10 B3 F12 109.3(14) . .
F9 B3 F12 81.3(16) . .
F10' B3 F12 146.7(14) . .
F11 B3 F12 80.7(15) . .
F10 B3 F9' 114.0(12) . .
F9 B3 F9' 35.5(12) . .
F10' B3 F9' 106.8(13) . .
F11 B3 F9' 103.4(14) . .
F12 B3 F9' 103.8(15) . .
F10 B3 F11' 124.9(19) . .
F9 B3 F11' 132(2) . .
F10' B3 F11' 84.8(16) . .
F11 B3 F11' 22.6(16) . .
F12 B3 F11' 103.2(16) . .
F9' B3 F11' 99.2(16) . .
F10 B3 F12' 78.7(15) . .
F9 B3 F12' 107.6(15) . .
F10' B3 F12' 108.3(14) . .
F11 B3 F12' 87.3(16) . .
F12 B3 F12' 38.4(11) . .
F9' B3 F12' 139.2(14) . .
F11' B3 F12' 104.0(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N11 2.151(6) .
Ag1 N31 2.164(5) .
Ag1 N21 2.488(8) .
Ag2 N12 2.193(6) .
Ag2 N32 2.220(6) 1_565
Ag2 O4S 2.517(9) .
Ag2 N33 2.519(8) 3_666
Ag3 N22 2.204(6) 3_768
Ag3 N22 2.204(6) .
Ag3 O5S 2.478(11) .
Ag3 O5S 2.478(11) 3_768
Ag4 N23 2.158(6) .
Ag4 N23 2.158(6) 3_758
N11 C114 1.145(8) .
N12 C122 1.143(8) .
N13 C130 1.129(9) .
N21 C214 1.162(10) .
N22 C222 1.141(8) .
N23 C230 1.132(8) .
N31 C314 1.133(8) .
N32 C322 1.129(8) .
N32 Ag2 2.220(6) 1_545
O11 C107 1.212(7) .
O12 C115 1.206(7) .
O13 C123 1.212(7) .
O21 C207 1.201(7) .
O22 C215 1.226(7) .
O23 C223 1.201(7) .
O31 C307 1.204(7) .
O32 C315 1.205(7) .
C101 C106 1.388(8) .
C101 C102 1.394(8) .
C101 C107 1.483(8) .
C102 C103 1.379(8) .
C103 C104 1.396(8) .
C103 C115 1.495(8) .
C104 C105 1.390(8) .
C105 C106 1.386(8) .
C105 C123 1.488(8) .
C107 C108 1.512(8) .
C108 C109 1.381(8) .
C108 C113 1.385(8) .
C109 C110 1.366(8) .
C110 C111 1.386(9) .
C111 C112 1.392(8) .
C111 C114 1.441(9) .
C112 C113 1.364(8) .
C115 C116 1.495(8) .
C116 C117 1.389(8) .
C116 C121 1.396(8) .
C117 C118 1.378(8) .
C118 C119 1.401(9) .
C119 C120 1.360(9) .
C119 C122 1.433(8) .
C120 C121 1.373(8) .
C123 C124 1.495(8) .
C124 C125 1.378(8) .
C124 C129 1.384(8) .
C125 C126 1.371(9) .
C126 C127 1.388(9) .
C127 C128 1.384(9) .
C127 C130 1.453(9) .
C128 C129 1.363(9) .
C201 C202 1.385(8) .
C201 C206 1.386(8) .
C201 C207 1.495(8) .
C202 C203 1.398(7) .
C203 C204 1.381(8) .
C203 C215 1.499(8) .
C204 C205 1.389(8) .
C205 C206 1.396(8) .
C205 C223 1.500(8) .
C207 C208 1.494(8) .
C208 C213 1.385(8) .
C208 C209 1.392(8) .
C209 C210 1.372(9) .
C210 C211 1.365(9) .
C211 C212 1.397(9) .
C211 C214 1.446(10) .
C212 C213 1.358(9) .
C215 C216 1.494(7) .
C216 C217 1.386(8) .
C216 C221 1.391(8) .
C217 C218 1.374(8) .
C218 C219 1.409(9) .
C219 C220 1.374(9) .
C219 C222 1.436(8) .
C220 C221 1.377(8) .
C223 C224 1.507(8) .
C224 C225 1.377(8) .
C224 C229 1.391(8) .
C225 C226 1.391(8) .
C226 C227 1.386(8) .
C227 C228 1.389(9) .
C227 C230 1.447(8) .
C228 C229 1.368(8) .
C301 C302 1.382(8) .
C301 C306 1.396(8) .
C301 C307 1.489(9) .
C302 C303 1.376(8) .
C303 C304 1.393(8) .
C303 C315 1.494(9) .
C304 C305 1.385(9) .
C305 C306 1.388(9) .
C305 C323 1.502(9) .
C307 C308 1.515(8) .
C308 C309 1.380(8) .
C308 C313 1.387(8) .
C309 C310 1.387(8) .
C310 C311 1.404(9) .
C311 C312 1.372(9) .
C311 C314 1.436(8) .
C312 C313 1.368(8) .
C315 C316 1.504(8) .
C316 C321 1.381(8) .
C316 C317 1.386(8) .
C317 C318 1.381(8) .
C318 C319 1.387(9) .
C319 C320 1.376(9) .
C319 C322 1.438(9) .
C320 C321 1.379(8) .
C323 O33 1.298(11) .
C323 C24' 1.407(14) .
C323 C324 1.440(13) .
C323 O33' 1.508(18) .
N33 C330 1.135(12) .
N33 Ag2 2.519(8) 3_666
C324 C325 1.379(14) .
C324 C329 1.432(13) .
C325 C326 1.451(15) .
C326 C327 1.323(14) .
C327 C330 1.386(14) .
C327 C328 1.425(16) .
C328 C329 1.361(16) .
N33' C30' 1.129(15) .
C24' C25' 1.3900 .
C24' C29' 1.3900 .
C25' C26' 1.3900 .
C26' C27' 1.3900 .
C27' C30' 1.328(16) .
C27' C28' 1.3900 .
C28' C29' 1.3900 .
O1S C1S 1.192(10) .
O2S C4S 1.208(9) .
O3S C7S 1.207(9) .
O4S C10S 1.207(13) .
O5S C13S 1.239(18) .
C1S C2S 1.486(12) .
C1S C3S 1.494(13) .
C4S C6S 1.483(11) .
C4S C5S 1.489(12) .
C7S C8S 1.482(11) .
C7S C9S 1.484(11) .
C10S C11S 1.410(16) .
C10S C12S 1.476(16) .
C13S C14S 1.489(18) .
C13S C15S 1.576(19) .
F1 B1 1.359(12) .
F2 B1 1.334(11) .
F3 B1 1.383(12) .
F4 B1 1.336(11) .
F1' B1 1.363(12) .
F2' B1 1.331(13) .
F3' B1 1.312(12) .
F4' B1 1.388(11) .
F5 B2 1.355(12) .
F6 B2 1.326(11) .
F7 B2 1.388(13) .
F8 B2 1.312(11) .
F5' B2 1.358(12) .
F6' B2 1.326(13) .
F7' B2 1.313(11) .
F8' B2 1.390(11) .
F9 B3 1.335(13) .
F10 B3 1.316(12) .
F11 B3 1.345(13) .
F12 B3 1.352(13) .
F9' B3 1.367(13) .
F10' B3 1.340(11) .
F11' B3 1.37(3) .
F12' B3 1.39(2) .
