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#$Date: 2016-03-25 13:57:40 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179872 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/68/7016815.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_7016815
loop_
_publ_author_name
'Li, Bo'
'Zang, Shuang-Quan'
'Ji, Can'
'Liang, Ran'
'Hou, Hong-Wei'
'Wu, Yang-Jie'
'Mak, Thomas C. W.'
_publ_section_title
;
 Syntheses, structures and properties of silver-organic frameworks
 constructed with 1,2,3,4-benzenetetracarboxylic acid.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10071
_journal_page_last               10081
_journal_paper_doi               10.1039/c1dt10830a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C100 H108 Ag9 N17 O38'
_chemical_formula_weight         3126.86
_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                 107.200(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.6049(11)
_cell_length_b                   17.4423(12)
_cell_length_c                   22.5810(11)
_cell_measurement_reflns_used    9891
_cell_measurement_temperature    296
_cell_measurement_theta_max      29.0714
_cell_measurement_theta_min      2.9141
_cell_volume                     5495.1(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            25785
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    1.661
_exptl_absorpt_correction_T_max  0.7770
_exptl_absorpt_correction_T_min  0.7324
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS(2009)
_exptl_crystal_density_diffrn    1.890
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3108
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.386
_refine_diff_density_min         -0.481
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     755
_refine_ls_number_reflns         9665
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0542P)²+4.8794P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                7220
_reflns_number_total             9665
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10830a.txt
_cod_data_source_block           2
_cod_original_cell_volume        5495.1(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7016815
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
O6W O 0.9974(3) 0.4867(3) 0.59218(19) 0.0735(14) Uani 1 1 d . . .
H6WB H 0.9476 0.4781 0.5876 0.110 Uiso 1 1 d R . .
H6WA H 1.0409 0.4704 0.6121 0.088 Uiso 1 1 d R . .
O4W O 0.7297(4) 0.4291(4) 0.9150(2) 0.124(2) Uani 1 1 d . A 4
H4WA H 0.7091 0.4524 0.9425 0.149 Uiso 1 1 d R A 4
H4WB H 0.6952 0.4433 0.8790 0.186 Uiso 1 1 d R A 4
O5W O 0.9165(5) 0.0712(5) 0.4752(3) 0.157(3) Uani 1 1 d . . .
H5WA H 0.8644 0.0532 0.4705 0.235 Uiso 1 1 d R . .
H5WB H 0.9503 0.0374 0.4643 0.235 Uiso 1 1 d R . .
Ag4 Ag 0.89714(3) 0.24786(3) 0.470276(17) 0.05194(14) Uani 1 1 d . . 4
Ag1 Ag 0.39635(3) 0.19261(3) 0.792075(16) 0.04590(13) Uani 1 1 d . . 4
Ag2 Ag 0.65209(3) 0.19549(3) 0.886835(16) 0.04432(13) Uani 1 1 d U . 4
Ag3 Ag 0.5000 0.0000 1.0000 0.04475(16) Uani 1 2 d S . 4
Ag5 Ag 0.15646(3) 0.26023(4) 0.182783(18) 0.07002(19) Uani 1 1 d . . 4
O1 O 0.3566(2) 0.0526(2) 0.78965(15) 0.0389(8) Uani 1 1 d . . 4
O2 O 0.3179(2) -0.0217(2) 0.70555(14) 0.0417(8) Uani 1 1 d . . 4
O3 O 0.5407(2) 0.0883(2) 0.89825(14) 0.0397(7) Uani 1 1 d U . 4
O4 O 0.4865(2) -0.02982(19) 0.90567(13) 0.0358(8) Uani 1 1 d . . 4
O5 O 0.7640(2) 0.0675(2) 0.89824(14) 0.0412(8) Uani 1 1 d . B 4
O6 O 0.7184(2) -0.0384(2) 0.93749(13) 0.0397(8) Uani 1 1 d . B 4
O7 O 0.8160(2) -0.0046(2) 0.74668(16) 0.0475(9) Uani 1 1 d . C 4
O8 O 0.8367(2) -0.0770(2) 0.83031(16) 0.0519(10) Uani 1 1 d . C 4
O9 O 0.6612(4) 0.9969(4) 0.5042(3) 0.0398(16) Uani 0.50 1 d P D 4
N1 N 0.3931(3) 0.2146(2) 0.69624(16) 0.0329(9) Uani 1 1 d . . 4
N2 N 0.3953(3) 0.2819(2) 0.38643(17) 0.0338(9) Uani 1 1 d . . 4
N3 N 0.6432(3) 0.2212(2) 0.79072(16) 0.0322(9) Uani 1 1 d . . 4
N4 N 0.6619(3) 0.2805(2) 0.48389(16) 0.0349(9) Uani 1 1 d . . 4
N5 N 0.9059(3) 0.2468(2) 0.56605(17) 0.0374(10) Uani 1 1 d . . 4
N6 N 0.8930(3) 0.2541(3) 0.87529(18) 0.0393(10) Uani 1 1 d . . 4
N7 N 0.1584(3) 0.2547(3) 0.27706(17) 0.0417(11) Uani 1 1 d . . 4
N8 N 0.1478(3) 0.2399(3) 0.58702(18) 0.0445(12) Uani 1 1 d . . 4
O1W O 0.7901(4) 0.0130(3) 0.6213(2) 0.1091(19) Uani 1 1 d . . .
H1WA H 0.7876 0.0352 0.6543 0.131 Uiso 1 1 d R . .
H1WB H 0.7754 0.0391 0.5881 0.164 Uiso 1 1 d R . .
O2W O 0.7960(3) 0.0142(2) 0.17779(17) 0.0603(11) Uani 1 1 d . . .
H2WA H 0.7701 0.0165 0.2044 0.072 Uiso 1 1 d R . .
H2WB H 0.8460 0.0236 0.1875 0.090 Uiso 1 1 d R . .
O3W O 0.9646(5) -0.0102(3) 0.5937(3) 0.130(2) Uani 1 1 d . . .
H3WA H 0.9233 0.0017 0.5631 0.194 Uiso 1 1 d R . .
H3WB H 0.9420 0.0121 0.6199 0.194 Uiso 1 1 d R . .
O7W O 0.1383(3) 0.0588(3) 0.6774(2) 0.0967(18) Uani 1 1 d . . .
H7WB H 0.1917 0.0355 0.6858 0.116 Uiso 1 1 d R . .
H7WA H 0.0992 0.0387 0.6456 0.145 Uiso 1 1 d R . .
O8W O 0.0074(3) 0.0036(3) 0.7479(2) 0.0769(14) Uani 1 1 d . . .
H8WA H 0.0416 0.0297 0.7280 0.115 Uiso 1 1 d R . .
H8WB H -0.0405 0.0249 0.7454 0.115 Uiso 1 1 d R . .
O9W O 0.9354(2) 0.0953(2) 0.97492(15) 0.0519(10) Uani 1 1 d . . .
H9WB H 0.9439 0.0915 1.0063 0.078 Uiso 1 1 d R . .
H9WA H 0.9691 0.0681 0.9694 0.078 Uiso 1 1 d R . .
O10W O 0.7984(3) 0.9967(3) 0.05874(16) 0.0654(12) Uani 1 1 d . . .
H10A H 0.7585 0.9980 0.0795 0.098 Uiso 1 1 d R . .
H10B H 0.7738 0.9868 0.0271 0.098 Uiso 1 1 d R . .
C1 C 0.4831(3) -0.0118(3) 0.76389(18) 0.0260(10) Uani 1 1 d . . .
C2 C 0.5161(3) -0.0330(3) 0.7147(2) 0.0307(10) Uani 1 1 d . . .
H2 H 0.4726 -0.0420 0.6759 0.037 Uiso 1 1 calc R . .
C3 C 0.6136(3) -0.0411(3) 0.72299(19) 0.0316(11) Uani 1 1 d . . .
H3 H 0.6346 -0.0537 0.6892 0.038 Uiso 1 1 calc R . .
C4 C 0.6799(3) -0.0309(3) 0.78009(19) 0.0249(9) Uani 1 1 d . . .
C5 C 0.6483(3) -0.0122(2) 0.83056(18) 0.0243(9) Uani 1 1 d . . .
C6 C 0.5487(3) -0.0022(2) 0.82228(18) 0.0234(9) Uani 1 1 d . . .
C7 C 0.3775(3) 0.0072(3) 0.75213(19) 0.0305(11) Uani 1 1 d . . .
C8 C 0.5214(3) 0.0218(3) 0.87878(18) 0.0263(10) Uani 1 1 d . . .
C9 C 0.7169(3) 0.0060(3) 0.89427(19) 0.0273(10) Uani 1 1 d . . .
C10 C 0.7872(3) -0.0371(3) 0.7872(2) 0.0305(10) Uani 1 1 d . . .
C11 C 0.6604(4) 0.2905(3) 0.7707(2) 0.0377(12) Uani 1 1 d . . .
H11 H 0.6696 0.3316 0.7980 0.045 Uiso 1 1 calc R . 4
C12 C 0.6282(4) 0.1639(3) 0.7494(2) 0.0457(13) Uani 1 1 d . . .
H12 H 0.6146 0.1154 0.7616 0.055 Uiso 1 1 calc R . 4
C13 C 0.6321(4) 0.1731(3) 0.6901(2) 0.0383(12) Uani 1 1 d . . .
H13 H 0.6219 0.1312 0.6634 0.046 Uiso 1 1 calc R . .
C14 C 0.6510(3) 0.2444(3) 0.66930(19) 0.0264(10) Uani 1 1 d . . .
C15 C 0.6649(4) 0.3035(3) 0.7120(2) 0.0388(12) Uani 1 1 d . . .
H15 H 0.6774 0.3527 0.7006 0.047 Uiso 1 1 calc R . .
C16 C 0.6548(3) 0.2569(3) 0.60519(19) 0.0274(10) Uani 1 1 d . . .
C17 C 0.6700(4) 0.1966(3) 0.5690(2) 0.0414(13) Uani 1 1 d . . .
H17 H 0.6792 0.1472 0.5851 0.050 Uiso 1 1 calc R . .
C18 C 0.6714(4) 0.2104(3) 0.5091(2) 0.0414(13) Uani 1 1 d . . .
H18 H 0.6793 0.1690 0.4852 0.050 Uiso 1 1 calc R E 4
C19 C 0.6502(4) 0.3377(3) 0.5196(2) 0.0372(12) Uani 1 1 d . . .
H19 H 0.6447 0.3870 0.5033 0.045 Uiso 1 1 calc R . 4
C20 C 0.6458(4) 0.3289(3) 0.5788(2) 0.0373(12) Uani 1 1 d . . .
H20 H 0.6368 0.3715 0.6013 0.045 Uiso 1 1 calc R . .
C21 C 0.4097(3) 0.2848(3) 0.6769(2) 0.0349(11) Uani 1 1 d . . .
H21 H 0.4205 0.3250 0.7052 0.042 Uiso 1 1 calc R . 4
C22 C 0.4116(3) 0.3001(3) 0.6178(2) 0.0343(11) Uani 1 1 d . . .
H22 H 0.4229 0.3499 0.6069 0.041 Uiso 1 1 calc R . .
C23 C 0.3968(3) 0.2420(3) 0.57404(19) 0.0259(10) Uani 1 1 d . . .
C24 C 0.3794(4) 0.1697(3) 0.5938(2) 0.0373(12) Uani 1 1 d . . .
H24 H 0.3687 0.1285 0.5664 0.045 Uiso 1 1 calc R . .
C25 C 0.3779(4) 0.1586(3) 0.6535(2) 0.0415(12) Uani 1 1 d . . .
H25 H 0.3656 0.1095 0.6653 0.050 Uiso 1 1 calc R . 4
C26 C 0.3977(3) 0.2564(3) 0.50960(19) 0.0282(10) Uani 1 1 d . . .
C27 C 0.3747(3) 0.3271(3) 0.4815(2) 0.0290(10) Uani 1 1 d . . .
H27 H 0.3596 0.3677 0.5036 0.035 Uiso 1 1 calc R . .
C28 C 0.3741(3) 0.3377(3) 0.42107(19) 0.0300(10) Uani 1 1 d . . .
H28 H 0.3582 0.3858 0.4034 0.036 Uiso 1 1 calc R F 4
C29 C 0.4181(4) 0.2136(3) 0.4142(2) 0.0397(12) Uani 1 1 d . . .
H29 H 0.4330 0.1740 0.3910 0.048 Uiso 1 1 calc R . 4
C30 C 0.4210(4) 0.1984(3) 0.4735(2) 0.0385(12) Uani 1 1 d . . .
H30 H 0.4384 0.1500 0.4902 0.046 Uiso 1 1 calc R . .
C31 C 0.1693(4) 0.1892(4) 0.3085(2) 0.0548(16) Uani 1 1 d . . .
H31 H 0.1798 0.1447 0.2888 0.066 Uiso 1 1 calc R . 4
C32 C 0.1659(4) 0.1839(3) 0.3680(2) 0.0461(14) Uani 1 1 d . . .
H32 H 0.1765 0.1369 0.3883 0.055 Uiso 1 1 calc R . .
C33 C 0.1469(3) 0.2480(3) 0.3980(2) 0.0294(10) Uani 1 1 d . . .
C34 C 0.1349(4) 0.3162(3) 0.3654(2) 0.0408(12) Uani 1 1 d . . .
H34 H 0.1223 0.3612 0.3836 0.049 Uiso 1 1 calc R . .
C35 C 0.1417(4) 0.3173(3) 0.3060(2) 0.0465(14) Uani 1 1 d . . .
H35 H 0.1342 0.3639 0.2851 0.056 Uiso 1 1 calc R . 4
C36 C 0.1440(3) 0.2444(3) 0.4629(2) 0.0303(11) Uani 1 1 d . . .
C37 C 0.1327(4) 0.1759(3) 0.4912(2) 0.0429(13) Uani 1 1 d . . .
H37 H 0.1233 0.1304 0.4688 0.051 Uiso 1 1 calc R . .
C38 C 0.1355(4) 0.1759(3) 0.5531(2) 0.0496(14) Uani 1 1 d . . .
H38 H 0.1286 0.1296 0.5717 0.060 Uiso 1 1 calc R G 4
C39 C 0.1574(3) 0.3068(3) 0.5595(2) 0.0422(13) Uani 1 1 d . . .
H39 H 0.1657 0.3517 0.5828 0.051 Uiso 1 1 calc R . 4
C40 C 0.1552(3) 0.3110(3) 0.4994(2) 0.0374(12) Uani 1 1 d . . .
H40 H 0.1613 0.3583 0.4820 0.045 Uiso 1 1 calc R . .
C41 C 0.8907(4) 0.3108(3) 0.5932(2) 0.0446(13) Uani 1 1 d . . .
H41 H 0.8783 0.3554 0.5696 0.053 Uiso 1 1 calc R . 4
C42 C 0.8920(4) 0.3154(3) 0.6539(2) 0.0431(13) Uani 1 1 d . . .
H42 H 0.8814 0.3621 0.6708 0.052 Uiso 1 1 calc R . .
C43 C 0.9094(3) 0.2500(3) 0.6899(2) 0.0294(10) Uani 1 1 d . . .
C44 C 0.9272(4) 0.1829(3) 0.6621(2) 0.0413(12) Uani 1 1 d . . .
H44 H 0.9409 0.1376 0.6847 0.050 Uiso 1 1 calc R . .
C45 C 0.9241(4) 0.1844(3) 0.6009(2) 0.0498(14) Uani 1 1 d . . .
H45 H 0.9356 0.1389 0.5827 0.060 Uiso 1 1 calc R . 4
C46 C 0.9055(3) 0.2513(3) 0.75442(19) 0.0288(10) Uani 1 1 d . . .
C47 C 0.9184(4) 0.3185(3) 0.7891(2) 0.0467(14) Uani 1 1 d . . .
H47 H 0.9313 0.3644 0.7722 0.056 Uiso 1 1 calc R . .
C48 C 0.9118(4) 0.3166(3) 0.8482(2) 0.0491(14) Uani 1 1 d . . .
H48 H 0.9211 0.3622 0.8706 0.059 Uiso 1 1 calc R H 4
C49 C 0.8798(4) 0.1890(3) 0.8422(2) 0.0454(13) Uani 1 1 d . . .
H49 H 0.8663 0.1443 0.8605 0.054 Uiso 1 1 calc R . 4
C50 C 0.8852(4) 0.1852(3) 0.7830(2) 0.0415(13) Uani 1 1 d . . .
H50 H 0.8754 0.1387 0.7619 0.050 Uiso 1 1 calc R . .
N9 N 0.5817(10) 1.0072(8) 0.5026(7) 0.097(4) Uani 0.50 1 d PU . .
O10 O 0.4841(10) 0.9999(8) 0.4561(6) 0.134(5) Uani 0.50 1 d PU . .
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'
O O 0.0106 0.0060 '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
H6WB O6W H6WA 132.4 . .
H4WA O4W H4WB 108.3 . .
H5WA O5W H5WB 107.5 . .
N6 Ag4 N5 177.75(16) 4_565 .
N2 Ag1 N1 158.07(16) 4_566 .
N2 Ag1 O1 98.70(13) 4_566 .
N1 Ag1 O1 102.27(13) . .
N3 Ag2 N4 157.15(16) . 4_566
N3 Ag2 O3 113.60(13) . .
N4 Ag2 O3 83.91(13) 4_566 .
O4 Ag3 O4 180.000(1) 3_657 .
N7 Ag5 N8 176.34(18) . 4_565
C7 O1 Ag1 121.7(3) . .
C8 O3 Ag2 137.3(3) . .
C8 O4 Ag3 111.7(3) . .
C25 N1 C21 115.8(4) . .
C25 N1 Ag1 122.3(3) . .
C21 N1 Ag1 121.9(3) . .
C28 N2 C29 116.1(4) . .
C28 N2 Ag1 119.5(3) . 4_565
C29 N2 Ag1 124.3(3) . 4_565
C11 N3 C12 116.4(4) . .
C11 N3 Ag2 124.0(3) . .
C12 N3 Ag2 119.3(3) . .
C19 N4 C18 116.3(4) . .
C19 N4 Ag2 118.8(3) . 4_565
C18 N4 Ag2 124.6(3) . 4_565
C45 N5 C41 116.7(4) . .
C45 N5 Ag4 123.5(3) . .
C41 N5 Ag4 119.7(3) . .
C48 N6 C49 117.2(4) . .
C48 N6 Ag4 122.2(4) . 4_566
C49 N6 Ag4 120.3(3) . 4_566
C31 N7 C35 116.9(4) . .
C31 N7 Ag5 122.6(4) . .
C35 N7 Ag5 120.3(4) . .
C38 N8 C39 118.3(4) . .
C38 N8 Ag5 122.7(4) . 4_566
C39 N8 Ag5 119.0(3) . 4_566
H1WA O1W H1WB 117.7 . .
H2WA O2W H2WB 115.2 . .
H3WA O3W H3WB 97.6 . .
H7WB O7W H7WA 109.5 . .
H8WA O8W H8WB 110.1 . .
H9WB O9W H9WA 101.1 . .
H9WB O9W H9WA 101.1 . .
H10A O10W H10B 109.5 . .
C2 C1 C6 119.1(4) . .
C2 C1 C7 119.5(4) . .
C6 C1 C7 121.2(4) . .
C1 C2 C3 120.3(4) . .
C1 C2 H2 119.8 . .
C3 C2 H2 119.8 . .
C4 C3 C2 121.6(4) . .
C4 C3 H3 119.2 . .
C2 C3 H3 119.2 . .
C3 C4 C5 119.1(4) . .
C3 C4 C10 120.3(4) . .
C5 C4 C10 120.6(4) . .
C4 C5 C6 119.8(4) . .
C4 C5 C9 122.6(4) . .
C6 C5 C9 117.4(4) . .
C1 C6 C5 120.1(4) . .
C1 C6 C8 123.8(4) . .
C5 C6 C8 116.1(4) . .
O2 C7 O1 124.7(4) . .
O2 C7 C1 118.3(4) . .
O1 C7 C1 116.9(4) . .
O3 C8 O4 124.8(4) . .
O3 C8 C6 118.1(4) . .
O4 C8 C6 116.8(4) . .
O6 C9 O5 126.2(4) . .
O6 C9 C5 117.9(4) . .
O5 C9 C5 115.8(4) . .
O8 C10 O7 125.8(4) . .
O8 C10 C4 117.6(4) . .
O7 C10 C4 116.6(4) . .
N3 C11 C15 123.1(4) . .
N3 C11 H11 118.5 . .
C15 C11 H11 118.5 . .
N3 C12 C13 123.3(5) . .
N3 C12 H12 118.4 . .
C13 C12 H12 118.4 . .
C12 C13 C14 120.6(5) . .
C12 C13 H13 119.7 . .
C14 C13 H13 119.7 . .
C13 C14 C15 115.8(4) . .
C13 C14 C16 122.2(4) . .
C15 C14 C16 122.1(4) . .
C11 C15 C14 120.9(5) . .
C11 C15 H15 119.6 . .
C14 C15 H15 119.6 . .
C20 C16 C17 116.6(4) . .
C20 C16 C14 122.0(4) . .
C17 C16 C14 121.5(4) . .
C18 C17 C16 119.7(5) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
N4 C18 C17 123.2(5) . .
N4 C18 H18 118.4 . .
C17 C18 H18 118.4 . .
N4 C19 C20 124.3(5) . .
N4 C19 H19 117.8 . .
C20 C19 H19 117.8 . .
C19 C20 C16 119.8(4) . .
C19 C20 H20 120.1 . .
C16 C20 H20 120.1 . .
N1 C21 C22 123.5(4) . .
N1 C21 H21 118.3 . .
C22 C21 H21 118.3 . .
C21 C22 C23 120.5(4) . .
C21 C22 H22 119.7 . .
C23 C22 H22 119.7 . .
C24 C23 C22 116.1(4) . .
C24 C23 C26 121.8(4) . .
C22 C23 C26 122.1(4) . .
C25 C24 C23 120.2(4) . .
C25 C24 H24 119.9 . .
C23 C24 H24 119.9 . .
N1 C25 C24 123.9(5) . .
N1 C25 H25 118.1 . .
C24 C25 H25 118.1 . .
C27 C26 C30 116.4(4) . .
C27 C26 C23 122.1(4) . .
C30 C26 C23 121.5(4) . .
C28 C27 C26 120.4(4) . .
C28 C27 H27 119.8 . .
C26 C27 H27 119.8 . .
N2 C28 C27 123.2(4) . .
N2 C28 H28 118.4 . .
C27 C28 H28 118.4 . .
N2 C29 C30 124.5(5) . .
N2 C29 H29 117.8 . .
C30 C29 H29 117.8 . .
C29 C30 C26 119.5(5) . .
C29 C30 H30 120.3 . .
C26 C30 H30 120.3 . .
N7 C31 C32 123.5(5) . .
N7 C31 H31 118.3 . .
C32 C31 H31 118.3 . .
C31 C32 C33 120.1(5) . .
C31 C32 H32 120.0 . .
C33 C32 H32 120.0 . .
C32 C33 C34 116.7(4) . .
C32 C33 C36 121.4(4) . .
C34 C33 C36 121.8(4) . .
C35 C34 C33 119.8(5) . .
C35 C34 H34 120.1 . .
C33 C34 H34 120.1 . .
N7 C35 C34 123.0(5) . .
N7 C35 H35 118.5 . .
C34 C35 H35 118.5 . .
C37 C36 C40 116.7(4) . .
C37 C36 C33 122.4(4) . .
C40 C36 C33 120.9(4) . .
C38 C37 C36 119.5(5) . .
C38 C37 H37 120.2 . .
C36 C37 H37 120.2 . .
N8 C38 C37 122.5(5) . .
N8 C38 H38 118.7 . .
C37 C38 H38 118.7 . .
N8 C39 C40 122.3(5) . .
N8 C39 H39 118.9 . .
C40 C39 H39 118.9 . .
C39 C40 C36 120.6(5) . .
C39 C40 H40 119.7 . .
C36 C40 H40 119.7 . .
N5 C41 C42 124.1(5) . .
N5 C41 H41 118.0 . .
C42 C41 H41 118.0 . .
C41 C42 C43 119.1(5) . .
C41 C42 H42 120.5 . .
C43 C42 H42 120.5 . .
C42 C43 C44 117.3(4) . .
C42 C43 C46 120.9(4) . .
C44 C43 C46 121.7(4) . .
C45 C44 C43 119.0(5) . .
C45 C44 H44 120.5 . .
C43 C44 H44 120.5 . .
N5 C45 C44 123.8(5) . .
N5 C45 H45 118.1 . .
C44 C45 H45 118.1 . .
C47 C46 C50 116.5(4) . .
C47 C46 C43 122.1(4) . .
C50 C46 C43 121.4(4) . .
C48 C47 C46 119.6(5) . .
C48 C47 H47 120.2 . .
C46 C47 H47 120.2 . .
N6 C48 C47 123.9(5) . .
N6 C48 H48 118.1 . .
C47 C48 H48 118.1 . .
N6 C49 C50 123.1(5) . .
N6 C49 H49 118.4 . .
C50 C49 H49 118.4 . .
C49 C50 C46 119.7(5) . .
C49 C50 H50 120.1 . .
C46 C50 H50 120.1 . .
O9 N9 O10 137.6(14) . .
O9 N9 O10 140.3(14) . 3_676
O10 N9 O10 77.4(11) . 3_676
N9 O10 N9 102.6(11) . 3_676
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O6W H6WB 0.7200 .
O6W H6WA 0.7200 .
O4W H4WA 0.8654 .
O4W H4WB 0.8576 .
O5W H5WA 0.8003 .
O5W H5WB 0.8501 .
Ag4 N6 2.128(4) 4_565
Ag4 N5 2.128(4) .
Ag1 N2 2.181(4) 4_566
Ag1 N1 2.184(3) .
Ag1 O1 2.507(4) .
Ag2 N3 2.182(3) .
Ag2 N4 2.194(4) 4_566
Ag2 O3 2.542(3) .
Ag3 O4 2.144(3) 3_657
Ag3 O4 2.144(3) .
Ag5 N7 2.123(4) .
Ag5 N8 2.129(4) 4_565
O1 C7 1.261(5) .
O2 C7 1.255(5) .
O3 C8 1.241(5) .
O4 C8 1.274(5) .
O5 C9 1.264(5) .
O6 C9 1.240(5) .
O7 C10 1.250(5) .
O8 C10 1.241(5) .
O9 N9 1.165(14) .
N1 C25 1.344(6) .
N1 C21 1.346(6) .
N2 C28 1.340(6) .
N2 C29 1.341(6) .
N2 Ag1 2.181(4) 4_565
N3 C11 1.340(6) .
N3 C12 1.341(6) .
N4 C19 1.325(6) .
N4 C18 1.339(6) .
N4 Ag2 2.194(4) 4_565
N5 C45 1.322(6) .
N5 C41 1.324(6) .
N6 C48 1.319(7) .
N6 C49 1.342(7) .
N6 Ag4 2.128(4) 4_566
N7 C31 1.328(7) .
N7 C35 1.333(7) .
N8 C38 1.334(7) .
N8 C39 1.349(7) .
N8 Ag5 2.129(4) 4_566
O1W H1WA 0.8499 .
O1W H1WB 0.8492 .
O2W H2WA 0.8001 .
O2W H2WB 0.7165 .
O3W H3WA 0.7998 .
O3W H3WB 0.8505 .
O7W H7WB 0.8498 .
O7W H7WA 0.8501 .
O8W H8WA 0.8902 .
O8W H8WB 0.7801 .
O9W H9WB 0.6867 .
O9W H9WB 0.6867 .
O9W H9WA 0.7200 .
O10W H10A 0.8500 .
O10W H10B 0.7200 .
C1 C2 1.386(6) .
C1 C6 1.392(6) .
C1 C7 1.522(6) .
C2 C3 1.387(6) .
C2 H2 0.9300 .
C3 C4 1.376(6) .
C3 H3 0.9300 .
C4 C5 1.389(6) .
C4 C10 1.531(6) .
C5 C6 1.421(6) .
C5 C9 1.523(6) .
C6 C8 1.504(6) .
C11 C15 1.364(6) .
C11 H11 0.9300 .
C12 C13 1.366(6) .
C12 H12 0.9300 .
C13 C14 1.385(6) .
C13 H13 0.9300 .
C14 C15 1.386(6) .
C14 C16 1.481(6) .
C15 H15 0.9300 .
C16 C20 1.380(6) .
C16 C17 1.389(6) .
C17 C18 1.379(6) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.366(6) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.369(6) .
C21 H21 0.9300 .
C22 C23 1.387(6) .
C22 H22 0.9300 .
C23 C24 1.387(6) .
C23 C26 1.481(6) .
C24 C25 1.368(6) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C27 1.382(6) .
C26 C30 1.402(6) .
C27 C28 1.374(6) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C30 1.355(6) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.362(7) .
C31 H31 0.9300 .
C32 C33 1.378(7) .
C32 H32 0.9300 .
C33 C34 1.383(7) .
C33 C36 1.480(6) .
C34 C35 1.373(7) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C36 C37 1.387(7) .
C36 C40 1.406(6) .
C37 C38 1.386(7) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 C40 1.352(6) .
C39 H39 0.9300 .
C40 H40 0.9300 .
C41 C42 1.367(7) .
C41 H41 0.9300 .
C42 C43 1.380(7) .
C42 H42 0.9300 .
C43 C44 1.387(7) .
C43 C46 1.476(6) .
C44 C45 1.371(7) .
C44 H44 0.9300 .
C45 H45 0.9300 .
C46 C47 1.392(7) .
C46 C50 1.396(7) .
C47 C48 1.365(7) .
C47 H47 0.9300 .
C48 H48 0.9300 .
C49 C50 1.363(6) .
C49 H49 0.9300 .
C50 H50 0.9300 .
N9 O10 1.506(17) .
N9 O10 1.530(17) 3_676
O10 N9 1.530(17) 3_676
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O10W H10B O6 0.72 1.99 2.710(5) 174.1 1_564
O10W H10A O2W 0.85 2.14 2.716(5) 124.7 1_565
O9W H9WA O6W 0.72 2.14 2.779(6) 147.9 2_746
O9W H9WB O6W 0.69 2.31 2.908(6) 146.8 4_566
O8W H8WA O7W 0.89 2.12 2.987(7) 162.9 .
O8W H8WB O7 0.78 2.17 2.791(5) 137.4 1_455
O7W H7WA O3W 0.85 2.14 2.936(8) 154.8 1_455
O7W H7WB O2 0.85 2.03 2.875(5) 179.2 .
O6W H6WB O10W 0.72 2.13 2.793(5) 154.2 4_576
O6W H6WA O8 0.72 2.05 2.768(5) 179.0 2_756
O5W H5WB O3W 0.85 2.11 2.858(10) 146.6 3_756
O5W H5WA O4W 0.80 2.02 2.664(9) 137.3 4_565
O4W H4WB O2 0.86 1.96 2.742(6) 151.2 2_656
O4W H4WA O9 0.87 1.95 2.812(9) 178.9 4_576
O3W H3WB O1W 0.85 2.23 2.827(9) 127.3 .
O3W H3WA O5W 0.80 2.30 2.925(9) 135.4 .
O2W H2WA O1 0.80 2.25 2.800(5) 126.9 3_656
O2W H2WB O8W 0.72 2.25 2.881(5) 146.8 3_656
O1W H1WB O9 0.85 2.25 2.770(8) 120.0 1_545
O1W H1WA O7 0.85 2.12 2.760(6) 131.8 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N2 Ag1 O1 C7 -157.7(3) 4_566 .
N1 Ag1 O1 C7 28.8(3) . .
N3 Ag2 O3 C8 50.4(5) . .
N4 Ag2 O3 C8 -144.8(4) 4_566 .
N2 Ag1 N1 C25 -166.0(4) 4_566 .
O1 Ag1 N1 C25 -3.3(4) . .
N2 Ag1 N1 C21 16.5(6) 4_566 .
O1 Ag1 N1 C21 179.1(3) . .
N4 Ag2 N3 C11 13.2(6) 4_566 .
O3 Ag2 N3 C11 150.8(4) . .
N4 Ag2 N3 C12 -173.1(4) 4_566 .
O3 Ag2 N3 C12 -35.5(4) . .
C6 C1 C2 C3 -3.0(7) . .
C7 C1 C2 C3 171.8(4) . .
C1 C2 C3 C4 2.2(7) . .
C2 C3 C4 C5 0.1(7) . .
C2 C3 C4 C10 -177.6(4) . .
C3 C4 C5 C6 -1.5(6) . .
C10 C4 C5 C6 176.2(4) . .
C3 C4 C5 C9 -175.3(4) . .
C10 C4 C5 C9 2.4(7) . .
C2 C1 C6 C5 1.7(6) . .
C7 C1 C6 C5 -173.1(4) . .
C2 C1 C6 C8 179.1(4) . .
C7 C1 C6 C8 4.3(7) . .
C4 C5 C6 C1 0.6(6) . .
C9 C5 C6 C1 174.7(4) . .
C4 C5 C6 C8 -177.0(4) . .
C9 C5 C6 C8 -2.9(6) . .
Ag1 O1 C7 O2 -107.3(4) . .
Ag1 O1 C7 C1 71.0(4) . .
C2 C1 C7 O2 25.0(6) . .
C6 C1 C7 O2 -160.2(4) . .
C2 C1 C7 O1 -153.4(4) . .
C6 C1 C7 O1 21.4(6) . .
Ag2 O3 C8 O4 155.7(3) . .
Ag2 O3 C8 C6 -18.8(6) . .
Ag3 O4 C8 O3 -15.7(5) . .
Ag3 O4 C8 C6 158.9(3) . .
C1 C6 C8 O3 -106.3(5) . .
C5 C6 C8 O3 71.2(5) . .
C1 C6 C8 O4 78.8(5) . .
C5 C6 C8 O4 -103.7(5) . .
C4 C5 C9 O6 -115.0(5) . .
C6 C5 C9 O6 71.1(5) . .
C4 C5 C9 O5 68.0(6) . .
C6 C5 C9 O5 -106.0(4) . .
C3 C4 C10 O8 -132.3(5) . .
C5 C4 C10 O8 50.1(6) . .
C3 C4 C10 O7 43.9(6) . .
C5 C4 C10 O7 -133.8(5) . .
C12 N3 C11 C15 -1.4(8) . .
Ag2 N3 C11 C15 172.5(4) . .
C11 N3 C12 C13 1.6(8) . .
Ag2 N3 C12 C13 -172.6(4) . .
N3 C12 C13 C14 -0.8(8) . .
C12 C13 C14 C15 -0.3(7) . .
C12 C13 C14 C16 -179.3(4) . .
N3 C11 C15 C14 0.4(8) . .
C13 C14 C15 C11 0.4(7) . .
C16 C14 C15 C11 179.5(4) . .
C13 C14 C16 C20 160.8(5) . .
C15 C14 C16 C20 -18.2(7) . .
C13 C14 C16 C17 -20.8(7) . .
C15 C14 C16 C17 160.2(5) . .
C20 C16 C17 C18 -2.7(7) . .
C14 C16 C17 C18 178.9(4) . .
C19 N4 C18 C17 -0.4(8) . .
Ag2 N4 C18 C17 -174.8(4) 4_565 .
C16 C17 C18 N4 2.3(8) . .
C18 N4 C19 C20 -1.1(7) . .
Ag2 N4 C19 C20 173.6(4) 4_565 .
N4 C19 C20 C16 0.7(8) . .
C17 C16 C20 C19 1.3(7) . .
C14 C16 C20 C19 179.7(4) . .
C25 N1 C21 C22 -0.1(7) . .
Ag1 N1 C21 C22 177.6(4) . .
N1 C21 C22 C23 -0.5(7) . .
C21 C22 C23 C24 0.6(7) . .
C21 C22 C23 C26 179.6(4) . .
C22 C23 C24 C25 -0.2(7) . .
C26 C23 C24 C25 -179.2(4) . .
C21 N1 C25 C24 0.5(7) . .
Ag1 N1 C25 C24 -177.1(4) . .
C23 C24 C25 N1 -0.4(8) . .
C24 C23 C26 C27 152.3(5) . .
C22 C23 C26 C27 -26.7(7) . .
C24 C23 C26 C30 -27.1(7) . .
C22 C23 C26 C30 154.0(5) . .
C30 C26 C27 C28 1.0(6) . .
C23 C26 C27 C28 -178.4(4) . .
C29 N2 C28 C27 -0.3(6) . .
Ag1 N2 C28 C27 -177.9(3) 4_565 .
C26 C27 C28 N2 -0.2(7) . .
C28 N2 C29 C30 -0.1(7) . .
Ag1 N2 C29 C30 177.4(4) 4_565 .
N2 C29 C30 C26 1.0(8) . .
C27 C26 C30 C29 -1.4(7) . .
C23 C26 C30 C29 178.0(4) . .
C35 N7 C31 C32 -1.2(9) . .
Ag5 N7 C31 C32 -176.6(4) . .
N7 C31 C32 C33 2.5(9) . .
C31 C32 C33 C34 -1.9(8) . .
C31 C32 C33 C36 -179.2(5) . .
C32 C33 C34 C35 0.4(7) . .
C36 C33 C34 C35 177.6(4) . .
C31 N7 C35 C34 -0.5(8) . .
Ag5 N7 C35 C34 175.0(4) . .
C33 C34 C35 N7 0.8(8) . .
C32 C33 C36 C37 -18.8(7) . .
C34 C33 C36 C37 164.1(5) . .
C32 C33 C36 C40 159.5(5) . .
C34 C33 C36 C40 -17.6(7) . .
C40 C36 C37 C38 -1.7(7) . .
C33 C36 C37 C38 176.7(5) . .
C39 N8 C38 C37 0.3(8) . .
Ag5 N8 C38 C37 -178.1(4) 4_566 .
C36 C37 C38 N8 0.7(8) . .
C38 N8 C39 C40 -0.3(7) . .
Ag5 N8 C39 C40 178.2(4) 4_566 .
N8 C39 C40 C36 -0.8(7) . .
C37 C36 C40 C39 1.8(7) . .
C33 C36 C40 C39 -176.7(4) . .
C45 N5 C41 C42 -0.6(8) . .
Ag4 N5 C41 C42 178.1(4) . .
N5 C41 C42 C43 -0.5(8) . .
C41 C42 C43 C44 1.6(7) . .
C41 C42 C43 C46 -176.1(5) . .
C42 C43 C44 C45 -1.7(7) . .
C46 C43 C44 C45 176.1(5) . .
C41 N5 C45 C44 0.6(8) . .
Ag4 N5 C45 C44 -178.1(4) . .
C43 C44 C45 N5 0.6(9) . .
C42 C43 C46 C47 -23.2(7) . .
C44 C43 C46 C47 159.2(5) . .
C42 C43 C46 C50 154.4(5) . .
C44 C43 C46 C50 -23.3(7) . .
C50 C46 C47 C48 0.7(8) . .
C43 C46 C47 C48 178.4(5) . .
C49 N6 C48 C47 0.0(8) . .
Ag4 N6 C48 C47 173.8(4) 4_566 .
C46 C47 C48 N6 -0.5(9) . .
C48 N6 C49 C50 0.2(8) . .
Ag4 N6 C49 C50 -173.7(4) 4_566 .
N6 C49 C50 C46 0.1(8) . .
C47 C46 C50 C49 -0.6(7) . .
C43 C46 C50 C49 -178.3(4) . .
O9 N9 O10 N9 158(2) . 3_676
O10 N9 O10 N9 0.0 3_676 3_676
