#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:07:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180466 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/35/7213598.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_7213598
loop_
_publ_author_name
'Wei, Yong-Li'
'Li, Xiao-Yuan'
'Kang, Ting-Ting'
'Wang, Su-Na'
'Zang, Shuang-Quan'
_publ_section_title
;
 A series of Ag(i)--Cd(ii) hetero- and Ag(i) homo-nuclear coordination
 polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              223
_journal_paper_doi               10.1039/c3ce41714j
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C44 H34 Ag4 I2 N8 O8'
_chemical_formula_sum            'C44 H34 Ag4 I2 N8 O8'
_chemical_formula_weight         1488.07
_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                102.542(3)
_cell_angle_beta                 93.087(3)
_cell_angle_gamma                106.942(3)
_cell_formula_units_Z            2
_cell_length_a                   11.2576(4)
_cell_length_b                   12.6293(4)
_cell_length_c                   16.9504(5)
_cell_measurement_reflns_used    2314
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2026
_cell_measurement_theta_min      3.0083
_cell_volume                     2232.56(14)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16596
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    3.175
_exptl_absorpt_correction_T_max  0.547
_exptl_absorpt_correction_T_min  0.519
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2009)'
_exptl_crystal_density_diffrn    2.214
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.110
_refine_diff_density_min         -1.987
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     592
_refine_ls_number_reflns         7839
_refine_ls_number_restraints     1574
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.037
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0583P)²+5.7621P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1092
_refine_ls_wR_factor_ref         0.1176
_reflns_number_gt                6154
_reflns_number_total             7851
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41714j.txt
_cod_data_source_block           3
_cod_database_code               7213598
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
I1 I 1.67194(4) 1.55620(4) -0.09561(3) 0.04129(14) Uani 1 1 d U
O4 O 1.4556(5) 1.0755(4) -0.3862(3) 0.0449(11) Uani 1 1 d U
O3 O 1.5754(5) 1.2416(4) -0.4032(3) 0.0424(11) Uani 1 1 d U
C8 C 1.5114(6) 1.1829(6) -0.3629(4) 0.0346(13) Uani 1 1 d U
C5 C 1.4911(6) 1.2375(5) -0.2777(4) 0.0308(12) Uani 1 1 d U
C4 C 1.5691(6) 1.3469(5) -0.2388(4) 0.0292(12) Uani 1 1 d U
H4 H 1.6331 1.3856 -0.2643 0.035 Uiso 1 1 calc R
C3 C 1.5496(6) 1.3964(5) -0.1616(4) 0.0294(12) Uani 1 1 d U
C6 C 1.3955(6) 1.1813(6) -0.2397(4) 0.0343(12) Uani 1 1 d U
H6 H 1.3455 1.1076 -0.2655 0.041 Uiso 1 1 calc R
C2 C 1.4509(6) 1.3418(5) -0.1241(4) 0.0337(13) Uani 1 1 d U
H2 H 1.4373 1.3777 -0.0730 0.040 Uiso 1 1 calc R
C1 C 1.3730(6) 1.2336(5) -0.1632(4) 0.0332(12) Uani 1 1 d DU
O1 O 1.2426(5) 1.2263(5) -0.0597(3) 0.0547(13) Uani 1 1 d U
C7 C 1.2588(9) 1.1735(8) -0.1233(6) 0.0778(14) Uani 1 1 d DU
O2 O 1.2126(6) 1.0742(5) -0.1492(4) 0.0778(14) Uani 1 1 d U
Ag1 Ag 1.06520(5) 1.09606(5) -0.03610(3) 0.04427(16) Uani 1 1 d U
I2 I 0.82135(5) 1.12717(4) 0.41398(3) 0.05136(16) Uani 1 1 d U
Ag2 Ag 1.5000 1.0000 -0.5000 0.0482(2) Uani 1 2 d SU
Ag5 Ag 0.0000 0.5000 1.0000 0.0530(2) Uani 1 2 d SU
Ag3 Ag 0.79090(6) 1.23350(4) 0.59445(4) 0.04897(17) Uani 1 1 d U
Ag4 Ag 0.98957(6) 1.25439(6) 0.73639(4) 0.0602(2) Uani 1 1 d U
N8 N 0.1223(5) 0.5222(5) 0.9113(3) 0.0395(12) Uani 1 1 d U
N7 N 0.2293(5) 0.6014(5) 0.8243(3) 0.0330(11) Uani 1 1 d U
C42 C 0.2567(7) 0.5014(6) 0.8224(4) 0.0401(13) Uani 1 1 d U
H42 H 0.3097 0.4722 0.7902 0.048 Uiso 1 1 calc R
C44 C 0.1489(6) 0.6098(6) 0.8781(4) 0.0340(12) Uani 1 1 d U
H44 H 0.1157 0.6699 0.8906 0.041 Uiso 1 1 calc R
C43 C 0.1897(7) 0.4545(6) 0.8777(4) 0.0412(14) Uani 1 1 d U
H43 H 0.1901 0.3866 0.8905 0.049 Uiso 1 1 calc R
C35 C 0.5930(6) 0.9709(6) 0.9185(4) 0.0338(12) Uani 1 1 d U
C39 C 0.4808(6) 0.7703(6) 0.8808(4) 0.0365(12) Uani 1 1 d U
H39 H 0.4740 0.6968 0.8854 0.044 Uiso 1 1 calc R
C36 C 0.5016(6) 0.9867(6) 0.8687(4) 0.0376(12) Uani 1 1 d U
H36 H 0.5074 1.0602 0.8643 0.045 Uiso 1 1 calc R
C40 C 0.5810(6) 0.8607(6) 0.9250(4) 0.0367(13) Uani 1 1 d U
H40 H 0.6400 0.8475 0.9590 0.044 Uiso 1 1 calc R
C37 C 0.4017(6) 0.8962(6) 0.8254(4) 0.0381(13) Uani 1 1 d U
H37 H 0.3410 0.9093 0.7927 0.046 Uiso 1 1 calc R
C38 C 0.3917(6) 0.7863(6) 0.8304(4) 0.0318(12) Uani 1 1 d U
C41 C 0.2855(6) 0.6867(6) 0.7793(4) 0.0369(13) Uani 1 1 d U
H41A H 0.2214 0.7154 0.7598 0.044 Uiso 1 1 calc R
H41B H 0.3169 0.6503 0.7321 0.044 Uiso 1 1 calc R
C34 C 0.7031(7) 1.0678(6) 0.9649(4) 0.0395(13) Uani 1 1 d U
H34A H 0.6761 1.1088 1.0123 0.047 Uiso 1 1 calc R
H34B H 0.7654 1.0370 0.9842 0.047 Uiso 1 1 calc R
C33 C 0.8420(6) 1.1338(6) 0.8628(4) 0.0363(12) Uani 1 1 d U
H33 H 0.8706 1.0709 0.8508 0.044 Uiso 1 1 calc R
C32 C 0.7416(7) 1.2490(6) 0.9155(4) 0.0428(14) Uani 1 1 d U
H32 H 0.6898 1.2814 0.9467 0.051 Uiso 1 1 calc R
N6 N 0.7612(5) 1.1485(5) 0.9171(3) 0.0349(11) Uani 1 1 d U
N5 N 0.8746(5) 1.2213(5) 0.8291(3) 0.0391(12) Uani 1 1 d U
C31 C 0.8093(7) 1.2936(6) 0.8616(4) 0.0450(15) Uani 1 1 d U
H31 H 0.8118 1.3618 0.8482 0.054 Uiso 1 1 calc R
N2 N 0.7309(5) 0.9177(5) 0.6738(3) 0.0331(11) Uani 1 1 d U
N1 N 0.7756(5) 1.0636(5) 0.6173(3) 0.0379(11) Uani 1 1 d U
C18 C 0.8242(6) 0.9090(6) 0.6280(4) 0.0392(13) Uani 1 1 d U
H18 H 0.8617 0.8516 0.6209 0.047 Uiso 1 1 calc R
C17 C 0.8520(7) 0.9990(6) 0.5950(4) 0.0417(14) Uani 1 1 d U
H17 H 0.9145 1.0152 0.5617 0.050 Uiso 1 1 calc R
C19 C 0.7030(7) 1.0106(6) 0.6653(4) 0.0389(13) Uani 1 1 d U
H19 H 0.6406 1.0351 0.6898 0.047 Uiso 1 1 calc R
C9 C 1.0514(6) 1.4024(5) 0.3197(4) 0.0272(11) Uani 1 1 d U
C14 C 0.9866(6) 1.3403(5) 0.3712(4) 0.0281(11) Uani 1 1 d U
H14 H 0.9780 1.3771 0.4234 0.034 Uiso 1 1 calc R
C13 C 0.9353(6) 1.2235(5) 0.3436(4) 0.0269(11) Uani 1 1 d U
C10 C 1.0646(6) 1.3447(5) 0.2423(4) 0.0298(11) Uani 1 1 d U
H10 H 1.1057 1.3859 0.2071 0.036 Uiso 1 1 calc R
C12 C 0.9521(6) 1.1644(5) 0.2681(4) 0.0310(12) Uani 1 1 d U
H12 H 0.9205 1.0852 0.2522 0.037 Uiso 1 1 calc R
C11 C 1.0169(6) 1.2259(5) 0.2170(4) 0.0266(11) Uani 1 1 d U
C16 C 1.0291(6) 1.1646(5) 0.1317(4) 0.0312(12) Uani 1 1 d U
O8 O 1.0666(4) 1.0792(4) 0.1252(3) 0.0404(10) Uani 1 1 d U
C21 C 0.5718(6) 0.7296(6) 0.6660(4) 0.0338(12) Uani 1 1 d U
C23 C 0.3991(7) 0.6410(6) 0.5592(4) 0.0414(14) Uani 1 1 d U
H23 H 0.3437 0.6479 0.5194 0.050 Uiso 1 1 calc R
C24 C 0.3916(6) 0.5347(6) 0.5701(4) 0.0368(13) Uani 1 1 d U
C22 C 0.4877(7) 0.7379(6) 0.6065(4) 0.0419(13) Uani 1 1 d U
H22 H 0.4910 0.8091 0.5984 0.050 Uiso 1 1 calc R
C25 C 0.4771(6) 0.5269(6) 0.6295(4) 0.0404(13) Uani 1 1 d U
H25 H 0.4742 0.4558 0.6377 0.048 Uiso 1 1 calc R
C26 C 0.5662(6) 0.6240(6) 0.6764(4) 0.0368(13) Uani 1 1 d U
H26 H 0.6229 0.6173 0.7155 0.044 Uiso 1 1 calc R
C20 C 0.6667(7) 0.8355(6) 0.7198(4) 0.0390(12) Uani 1 1 d U
H20A H 0.6246 0.8727 0.7603 0.047 Uiso 1 1 calc R
H20B H 0.7286 0.8130 0.7484 0.047 Uiso 1 1 calc R
O7 O 1.0002(5) 1.2023(4) 0.0744(3) 0.0433(10) Uani 1 1 d U
C15 C 1.1050(6) 1.5301(5) 0.3454(4) 0.0319(12) Uani 1 1 d U
O5 O 1.1303(5) 1.5834(4) 0.2909(3) 0.0468(11) Uani 1 1 d U
N3 N 0.2322(5) 0.3471(5) 0.5612(3) 0.0359(11) Uani 1 1 d U
C27 C 0.2945(7) 0.4305(6) 0.5162(4) 0.0440(14) Uani 1 1 d U
H27A H 0.2319 0.4546 0.4898 0.053 Uiso 1 1 calc R
H27B H 0.3346 0.3940 0.4740 0.053 Uiso 1 1 calc R
O6 O 1.1185(4) 1.5785(4) 0.4197(3) 0.0414(11) Uani 1 1 d U
C30 C 0.1407(7) 0.3555(6) 0.6073(4) 0.0424(14) Uani 1 1 d U
H30 H 0.1030 0.4127 0.6122 0.051 Uiso 1 1 calc R
C28 C 0.2616(7) 0.2530(6) 0.5705(5) 0.0447(14) Uani 1 1 d U
H28 H 0.3220 0.2249 0.5462 0.054 Uiso 1 1 calc R
C29 C 0.1864(7) 0.2088(6) 0.6215(5) 0.0468(15) Uani 1 1 d U
H29 H 0.1864 0.1435 0.6384 0.056 Uiso 1 1 calc R
N4 N 0.1110(6) 0.2719(5) 0.6451(4) 0.0437(13) Uani 1 1 d U
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'
I I -0.4742 1.8119 '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
C8 O4 Ag2 113.1(4) . .
C8 O3 Ag3 115.1(4) . 1_654
O3 C8 O4 125.7(6) . .
O3 C8 C5 120.0(6) . .
O4 C8 C5 114.3(6) . .
C6 C5 C4 120.2(5) . .
C6 C5 C8 120.8(6) . .
C4 C5 C8 119.0(5) . .
C3 C4 C5 118.7(6) . .
C3 C4 H4 120.6 . .
C5 C4 H4 120.6 . .
C4 C3 C2 121.3(6) . .
C4 C3 I1 120.8(5) . .
C2 C3 I1 117.9(4) . .
C5 C6 C1 120.8(6) . .
C5 C6 H6 119.6 . .
C1 C6 H6 119.6 . .
C1 C2 C3 119.8(5) . .
C1 C2 H2 120.1 . .
C3 C2 H2 120.1 . .
C2 C1 C6 119.1(6) . .
C2 C1 C7 120.3(6) . .
C6 C1 C7 120.6(6) . .
C7 O1 Ag1 99.4(5) . .
O2 C7 O1 124.6(8) . .
O2 C7 C1 117.1(7) . .
O1 C7 C1 116.4(7) . .
O1 Ag1 O7 102.89(17) . .
O1 Ag1 O8 129.49(16) . 2_775
O7 Ag1 O8 124.39(17) . 2_775
O1 Ag1 Ag1 152.38(16) . 2_775
O7 Ag1 Ag1 81.85(12) . 2_775
O8 Ag1 Ag1 61.09(11) 2_775 2_775
C13 I2 Ag3 122.22(16) . .
O4 Ag2 O4 180.0(3) 2_874 .
N8 Ag5 N8 180.000(2) 2_567 .
N1 Ag3 O6 160.03(19) . 2_786
N1 Ag3 O3 103.08(19) . 1_456
O6 Ag3 O3 96.35(16) 2_786 1_456
N1 Ag3 O5 121.52(19) . 2_786
O6 Ag3 O5 53.00(15) 2_786 2_786
O3 Ag3 O5 90.39(16) 1_456 2_786
N1 Ag3 Ag4 69.06(15) . .
O6 Ag3 Ag4 94.87(12) 2_786 .
O3 Ag3 Ag4 130.15(10) 1_456 .
O5 Ag3 Ag4 59.66(12) 2_786 .
N1 Ag3 I2 86.43(14) . .
O6 Ag3 I2 92.03(11) 2_786 .
O3 Ag3 I2 107.86(10) 1_456 .
O5 Ag3 I2 142.76(11) 2_786 .
Ag4 Ag3 I2 120.09(2) . .
N5 Ag4 N4 173.7(2) . 1_665
N5 Ag4 Ag3 100.97(16) . .
N4 Ag4 Ag3 82.38(17) 1_665 .
C44 N8 C43 106.5(5) . .
C44 N8 Ag5 124.5(5) . .
C43 N8 Ag5 129.1(5) . .
C44 N7 C42 107.5(6) . .
C44 N7 C41 126.2(6) . .
C42 N7 C41 126.1(5) . .
C43 C42 N7 105.4(6) . .
C43 C42 H42 127.3 . .
N7 C42 H42 127.3 . .
N8 C44 N7 111.2(6) . .
N8 C44 H44 124.4 . .
N7 C44 H44 124.4 . .
C42 C43 N8 109.4(6) . .
C42 C43 H43 125.3 . .
N8 C43 H43 125.3 . .
C36 C35 C40 118.0(6) . .
C36 C35 C34 122.4(6) . .
C40 C35 C34 119.6(6) . .
C38 C39 C40 121.9(6) . .
C38 C39 H39 119.1 . .
C40 C39 H39 119.1 . .
C37 C36 C35 121.7(6) . .
C37 C36 H36 119.2 . .
C35 C36 H36 119.2 . .
C35 C40 C39 119.8(6) . .
C35 C40 H40 120.1 . .
C39 C40 H40 120.1 . .
C38 C37 C36 120.1(6) . .
C38 C37 H37 119.9 . .
C36 C37 H37 119.9 . .
C39 C38 C37 118.5(6) . .
C39 C38 C41 121.7(6) . .
C37 C38 C41 119.8(6) . .
N7 C41 C38 113.0(5) . .
N7 C41 H41A 109.0 . .
C38 C41 H41A 109.0 . .
N7 C41 H41B 109.0 . .
C38 C41 H41B 109.0 . .
H41A C41 H41B 107.8 . .
N6 C34 C35 113.8(5) . .
N6 C34 H34A 108.8 . .
C35 C34 H34A 108.8 . .
N6 C34 H34B 108.8 . .
C35 C34 H34B 108.8 . .
H34A C34 H34B 107.7 . .
N5 C33 N6 110.5(6) . .
N5 C33 H33 124.7 . .
N6 C33 H33 124.7 . .
C31 C32 N6 108.4(6) . .
C31 C32 H32 125.8 . .
N6 C32 H32 125.8 . .
C33 N6 C32 106.4(6) . .
C33 N6 C34 125.9(6) . .
C32 N6 C34 127.6(6) . .
C33 N5 C31 106.4(6) . .
C33 N5 Ag4 131.9(5) . .
C31 N5 Ag4 121.5(5) . .
C32 C31 N5 108.2(7) . .
C32 C31 H31 125.9 . .
N5 C31 H31 125.9 . .
C19 N2 C18 106.9(6) . .
C19 N2 C20 126.6(6) . .
C18 N2 C20 126.4(6) . .
C19 N1 C17 104.6(6) . .
C19 N1 Ag3 127.8(5) . .
C17 N1 Ag3 127.0(4) . .
C17 C18 N2 106.8(6) . .
C17 C18 H18 126.6 . .
N2 C18 H18 126.6 . .
C18 C17 N1 110.2(6) . .
C18 C17 H17 124.9 . .
N1 C17 H17 124.9 . .
N1 C19 N2 111.5(6) . .
N1 C19 H19 124.3 . .
N2 C19 H19 124.3 . .
C10 C9 C14 119.2(6) . .
C10 C9 C15 119.6(6) . .
C14 C9 C15 121.3(5) . .
C13 C14 C9 119.0(5) . .
C13 C14 H14 120.5 . .
C9 C14 H14 120.5 . .
C14 C13 C12 122.4(6) . .
C14 C13 I2 120.8(4) . .
C12 C13 I2 116.8(4) . .
C9 C10 C11 120.9(6) . .
C9 C10 H10 119.6 . .
C11 C10 H10 119.6 . .
C11 C12 C13 118.5(6) . .
C11 C12 H12 120.7 . .
C13 C12 H12 120.7 . .
C12 C11 C10 119.9(5) . .
C12 C11 C16 119.8(5) . .
C10 C11 C16 120.2(5) . .
O7 C16 O8 125.4(6) . .
O7 C16 C11 117.5(5) . .
O8 C16 C11 117.1(6) . .
C16 O8 Ag1 116.7(4) . 2_775
C26 C21 C22 118.8(6) . .
C26 C21 C20 120.3(6) . .
C22 C21 C20 120.9(6) . .
C24 C23 C22 121.1(7) . .
C24 C23 H23 119.5 . .
C22 C23 H23 119.5 . .
C23 C24 C25 118.1(6) . .
C23 C24 C27 119.5(6) . .
C25 C24 C27 122.4(6) . .
C23 C22 C21 120.5(7) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C26 C25 C24 120.6(6) . .
C26 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
C21 C26 C25 120.8(7) . .
C21 C26 H26 119.6 . .
C25 C26 H26 119.6 . .
N2 C20 C21 113.0(5) . .
N2 C20 H20A 109.0 . .
C21 C20 H20A 109.0 . .
N2 C20 H20B 109.0 . .
C21 C20 H20B 109.0 . .
H20A C20 H20B 107.8 . .
C16 O7 Ag1 102.6(4) . .
O5 C15 O6 123.2(6) . .
O5 C15 C9 118.0(6) . .
O6 C15 C9 118.8(6) . .
C15 O5 Ag3 87.2(4) . 2_786
C30 N3 C28 106.5(6) . .
C30 N3 C27 125.5(6) . .
C28 N3 C27 127.8(6) . .
N3 C27 C24 113.1(6) . .
N3 C27 H27A 109.0 . .
C24 C27 H27A 109.0 . .
N3 C27 H27B 109.0 . .
C24 C27 H27B 109.0 . .
H27A C27 H27B 107.8 . .
C15 O6 Ag3 96.5(4) . 2_786
N4 C30 N3 111.1(6) . .
N4 C30 H30 124.4 . .
N3 C30 H30 124.4 . .
C29 C28 N3 106.4(6) . .
C29 C28 H28 126.8 . .
N3 C28 H28 126.8 . .
C28 C29 N4 110.6(7) . .
C28 C29 H29 124.7 . .
N4 C29 H29 124.7 . .
C30 N4 C29 105.3(6) . .
C30 N4 Ag4 127.2(5) . 1_445
C29 N4 Ag4 126.9(5) . 1_445
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 C3 2.111(6) .
O4 C8 1.278(8) .
O4 Ag2 2.112(4) .
O3 C8 1.224(8) .
O3 Ag3 2.460(5) 1_654
C8 C5 1.519(8) .
C5 C6 1.380(9) .
C5 C4 1.396(9) .
C4 C3 1.381(8) .
C4 H4 0.9300 .
C3 C2 1.390(9) .
C6 C1 1.395(8) .
C6 H6 0.9300 .
C2 C1 1.385(9) .
C2 H2 0.9300 .
C1 C7 1.560(7) .
O1 C7 1.191(9) .
O1 Ag1 2.305(5) .
C7 O2 1.180(10) .
Ag1 O7 2.339(4) .
Ag1 O8 2.403(5) 2_775
Ag1 Ag1 2.9912(11) 2_775
I2 C13 2.105(6) .
I2 Ag3 3.1425(8) .
Ag2 O4 2.112(4) 2_874
Ag5 N8 2.102(5) 2_567
Ag5 N8 2.102(5) .
Ag3 N1 2.222(5) .
Ag3 O6 2.365(5) 2_786
Ag3 O3 2.460(5) 1_456
Ag3 O5 2.565(5) 2_786
Ag3 Ag4 3.1082(10) .
Ag4 N5 2.124(5) .
Ag4 N4 2.125(6) 1_665
N8 C44 1.313(8) .
N8 C43 1.358(9) .
N7 C44 1.329(8) .
N7 C42 1.379(9) .
N7 C41 1.468(8) .
C42 C43 1.362(10) .
C42 H42 0.9300 .
C44 H44 0.9300 .
C43 H43 0.9300 .
C35 C36 1.382(9) .
C35 C40 1.388(9) .
C35 C34 1.498(9) .
C39 C38 1.369(9) .
C39 C40 1.388(10) .
C39 H39 0.9300 .
C36 C37 1.381(10) .
C36 H36 0.9300 .
C40 H40 0.9300 .
C37 C38 1.382(9) .
C37 H37 0.9300 .
C38 C41 1.517(9) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C34 N6 1.468(8) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C33 N5 1.320(8) .
C33 N6 1.349(8) .
C33 H33 0.9300 .
C32 C31 1.335(10) .
C32 N6 1.356(9) .
C32 H32 0.9300 .
N5 C31 1.376(9) .
C31 H31 0.9300 .
N2 C19 1.334(9) .
N2 C18 1.355(8) .
N2 C20 1.478(8) .
N1 C19 1.329(8) .
N1 C17 1.363(9) .
C18 C17 1.338(10) .
C18 H18 0.9300 .
C17 H17 0.9300 .
C19 H19 0.9300 .
C9 C10 1.393(8) .
C9 C14 1.394(8) .
C9 C15 1.501(9) .
C14 C13 1.379(8) .
C14 H14 0.9300 .
C13 C12 1.388(8) .
C10 C11 1.396(9) .
C10 H10 0.9300 .
C12 C11 1.384(9) .
C12 H12 0.9300 .
C11 C16 1.518(8) .
C16 O7 1.239(8) .
C16 O8 1.254(7) .
O8 Ag1 2.403(5) 2_775
C21 C26 1.367(9) .
C21 C22 1.387(10) .
C21 C20 1.515(9) .
C23 C24 1.373(10) .
C23 C22 1.383(10) .
C23 H23 0.9300 .
C24 C25 1.394(10) .
C24 C27 1.515(10) .
C22 H22 0.9300 .
C25 C26 1.384(10) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C15 O5 1.256(8) .
C15 O6 1.254(8) .
O5 Ag3 2.565(5) 2_786
N3 C30 1.341(8) .
N3 C28 1.361(9) .
N3 C27 1.470(8) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
O6 Ag3 2.365(5) 2_786
C30 N4 1.322(9) .
C30 H30 0.9300 .
C28 C29 1.337(10) .
C28 H28 0.9300 .
C29 N4 1.345(9) .
C29 H29 0.9300 .
N4 Ag4 2.125(6) 1_445
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
Ag3 O3 C8 O4 -80.5(8) 1_654 .
Ag3 O3 C8 C5 100.5(6) 1_654 .
Ag2 O4 C8 O3 6.5(9) . .
Ag2 O4 C8 C5 -174.5(4) . .
O3 C8 C5 C6 163.0(7) . .
O4 C8 C5 C6 -16.1(9) . .
O3 C8 C5 C4 -15.7(10) . .
O4 C8 C5 C4 165.2(6) . .
C6 C5 C4 C3 0.8(9) . .
C8 C5 C4 C3 179.5(6) . .
C5 C4 C3 C2 -3.0(10) . .
C5 C4 C3 I1 175.5(5) . .
C4 C5 C6 C1 1.9(10) . .
C8 C5 C6 C1 -176.9(6) . .
C4 C3 C2 C1 2.5(10) . .
I1 C3 C2 C1 -176.0(5) . .
C3 C2 C1 C6 0.2(10) . .
C3 C2 C1 C7 -177.5(7) . .
C5 C6 C1 C2 -2.3(10) . .
C5 C6 C1 C7 175.4(8) . .
Ag1 O1 C7 O2 -17.0(13) . .
Ag1 O1 C7 C1 179.2(7) . .
C2 C1 C7 O2 -163.8(9) . .
C6 C1 C7 O2 18.6(14) . .
C2 C1 C7 O1 1.3(14) . .
C6 C1 C7 O1 -176.4(8) . .
C7 O1 Ag1 O7 -169.4(7) . .
C7 O1 Ag1 O8 -9.4(8) . 2_775
C7 O1 Ag1 Ag1 93.5(7) . 2_775
C13 I2 Ag3 N1 -146.2(2) . .
C13 I2 Ag3 O6 13.9(2) . 2_786
C13 I2 Ag3 O3 111.2(2) . 1_456
C13 I2 Ag3 O5 -4.6(3) . 2_786
C13 I2 Ag3 Ag4 -82.9(2) . .
N1 Ag3 Ag4 N5 -71.3(2) . .
O6 Ag3 Ag4 N5 120.88(19) 2_786 .
O3 Ag3 Ag4 N5 18.4(2) 1_456 .
O5 Ag3 Ag4 N5 79.4(2) 2_786 .
I2 Ag3 Ag4 N5 -143.93(16) . .
N1 Ag3 Ag4 N4 103.3(2) . 1_665
O6 Ag3 Ag4 N4 -64.5(2) 2_786 1_665
O3 Ag3 Ag4 N4 -167.1(2) 1_456 1_665
O5 Ag3 Ag4 N4 -106.0(2) 2_786 1_665
I2 Ag3 Ag4 N4 30.65(17) . 1_665
C44 N7 C42 C43 -0.6(8) . .
C41 N7 C42 C43 175.5(6) . .
C43 N8 C44 N7 0.5(8) . .
Ag5 N8 C44 N7 179.7(4) . .
C42 N7 C44 N8 0.1(8) . .
C41 N7 C44 N8 -176.1(6) . .
N7 C42 C43 N8 0.9(8) . .
C44 N8 C43 C42 -0.9(8) . .
Ag5 N8 C43 C42 180.0(5) . .
C40 C35 C36 C37 -1.0(10) . .
C34 C35 C36 C37 179.0(6) . .
C36 C35 C40 C39 1.5(9) . .
C34 C35 C40 C39 -178.6(6) . .
C38 C39 C40 C35 -0.3(10) . .
C35 C36 C37 C38 -0.6(10) . .
C40 C39 C38 C37 -1.3(10) . .
C40 C39 C38 C41 177.2(6) . .
C36 C37 C38 C39 1.7(10) . .
C36 C37 C38 C41 -176.8(6) . .
C44 N7 C41 C38 77.8(8) . .
C42 N7 C41 C38 -97.6(8) . .
C39 C38 C41 N7 43.4(8) . .
C37 C38 C41 N7 -138.1(6) . .
C36 C35 C34 N6 -44.1(9) . .
C40 C35 C34 N6 136.0(6) . .
N5 C33 N6 C32 1.1(8) . .
N5 C33 N6 C34 178.7(6) . .
C31 C32 N6 C33 -0.1(8) . .
C31 C32 N6 C34 -177.6(6) . .
C35 C34 N6 C33 -80.0(8) . .
C35 C34 N6 C32 97.0(8) . .
N6 C33 N5 C31 -1.7(8) . .
N6 C33 N5 Ag4 -176.8(4) . .
Ag3 Ag4 N5 C33 109.7(6) . .
Ag3 Ag4 N5 C31 -64.8(5) . .
N6 C32 C31 N5 -0.9(8) . .
C33 N5 C31 C32 1.6(8) . .
Ag4 N5 C31 C32 177.3(5) . .
O6 Ag3 N1 C19 130.7(6) 2_786 .
O3 Ag3 N1 C19 -35.6(6) 1_456 .
O5 Ag3 N1 C19 63.0(6) 2_786 .
Ag4 Ag3 N1 C19 92.7(6) . .
I2 Ag3 N1 C19 -143.1(6) . .
O6 Ag3 N1 C17 -38.5(9) 2_786 .
O3 Ag3 N1 C17 155.1(6) 1_456 .
O5 Ag3 N1 C17 -106.2(6) 2_786 .
Ag4 Ag3 N1 C17 -76.6(6) . .
I2 Ag3 N1 C17 47.6(6) . .
C19 N2 C18 C17 1.7(8) . .
C20 N2 C18 C17 177.9(6) . .
N2 C18 C17 N1 -1.6(8) . .
C19 N1 C17 C18 0.9(8) . .
Ag3 N1 C17 C18 172.1(5) . .
C17 N1 C19 N2 0.3(8) . .
Ag3 N1 C19 N2 -170.9(4) . .
C18 N2 C19 N1 -1.2(8) . .
C20 N2 C19 N1 -177.4(6) . .
C10 C9 C14 C13 -1.1(9) . .
C15 C9 C14 C13 177.8(6) . .
C9 C14 C13 C12 3.9(10) . .
C9 C14 C13 I2 -173.9(4) . .
Ag3 I2 C13 C14 -8.9(6) . .
Ag3 I2 C13 C12 173.2(4) . .
C14 C9 C10 C11 -1.8(9) . .
C15 C9 C10 C11 179.3(6) . .
C14 C13 C12 C11 -3.6(10) . .
I2 C13 C12 C11 174.2(5) . .
C13 C12 C11 C10 0.6(9) . .
C13 C12 C11 C16 -175.8(6) . .
C9 C10 C11 C12 2.0(9) . .
C9 C10 C11 C16 178.4(6) . .
C12 C11 C16 O7 129.0(7) . .
C10 C11 C16 O7 -47.4(9) . .
C12 C11 C16 O8 -50.4(9) . .
C10 C11 C16 O8 133.3(6) . .
O7 C16 O8 Ag1 -54.7(8) . 2_775
C11 C16 O8 Ag1 124.6(5) . 2_775
C22 C23 C24 C25 -0.9(10) . .
C22 C23 C24 C27 -179.1(6) . .
C24 C23 C22 C21 0.3(11) . .
C26 C21 C22 C23 0.7(10) . .
C20 C21 C22 C23 -178.2(6) . .
C23 C24 C25 C26 0.5(10) . .
C27 C24 C25 C26 178.6(6) . .
C22 C21 C26 C25 -1.1(10) . .
C20 C21 C26 C25 177.8(6) . .
C24 C25 C26 C21 0.5(10) . .
C19 N2 C20 C21 98.5(8) . .
C18 N2 C20 C21 -76.9(8) . .
C26 C21 C20 N2 135.5(6) . .
C22 C21 C20 N2 -45.7(9) . .
O8 C16 O7 Ag1 -9.0(8) . .
C11 C16 O7 Ag1 171.7(5) . .
O1 Ag1 O7 C16 -106.0(4) . .
O8 Ag1 O7 C16 92.7(4) 2_775 .
Ag1 Ag1 O7 C16 46.3(4) 2_775 .
C10 C9 C15 O5 18.6(9) . .
C14 C9 C15 O5 -160.3(6) . .
C10 C9 C15 O6 -163.8(6) . .
C14 C9 C15 O6 17.3(9) . .
O6 C15 O5 Ag3 3.8(7) . 2_786
C9 C15 O5 Ag3 -178.7(5) . 2_786
C30 N3 C27 C24 78.1(9) . .
C28 N3 C27 C24 -95.6(8) . .
C23 C24 C27 N3 -138.0(7) . .
C25 C24 C27 N3 43.9(9) . .
O5 C15 O6 Ag3 -4.2(7) . 2_786
C9 C15 O6 Ag3 178.4(5) . 2_786
C28 N3 C30 N4 0.0(8) . .
C27 N3 C30 N4 -174.9(6) . .
C30 N3 C28 C29 0.2(8) . .
C27 N3 C28 C29 174.9(7) . .
N3 C28 C29 N4 -0.3(9) . .
N3 C30 N4 C29 -0.1(8) . .
N3 C30 N4 Ag4 171.8(4) . 1_445
C28 C29 N4 C30 0.2(9) . .
C28 C29 N4 Ag4 -171.7(5) . 1_445
