#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:20:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180073 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/19/7051946.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_7051946
loop_
_publ_author_name
'Degtyarenko, Anna S.'
'Solntsev, Pavlo V.'
'Krautscheid, Harald'
'Rusanov, Eduard B.'
'Chernega, Alexander N.'
'Domasevitch, Konstantin V.'
_publ_section_title
;
 Copper(i) and silver(i) coordination frameworks involving extended
 bipyridazine bridges
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1910
_journal_paper_doi               10.1039/b801231h
_journal_volume                  32
_journal_year                    2008
_chemical_formula_sum            'C66 H62 Ag6 N12 O22'
_chemical_formula_weight         2022.50
_chemical_name_systematic
;
Silver(I) Isophthalate 1:1 complex with 1,4-bi(pyridazin-4-yl)benzene,
Hydrate
;
_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                104.457(8)
_cell_angle_beta                 98.140(8)
_cell_angle_gamma                108.924(9)
_cell_formula_units_Z            1
_cell_length_a                   9.4238(6)
_cell_length_b                   14.2038(12)
_cell_length_c                   14.2032(10)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.09
_cell_measurement_theta_min      3.86
_cell_volume                     1689.3(3)
_computing_cell_refinement       'IPDS Software (Stoe & Cie, 2000)'
_computing_data_collection       'IPDS Software (Stoe & Cie, 2000)'
_computing_data_reduction        'IPDS Software (Stoe & Cie, 2000)'
_computing_molecular_graphics    'Diamond 2.1e (Brandenburg, 1999)'
_computing_publication_material  'WinGX 1.700.00 (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Stoe Imaging plate diffraction system'
_diffrn_measurement_method       'φ oscillation 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  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0611
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11283
_diffrn_reflns_theta_full        27.09
_diffrn_reflns_theta_max         27.09
_diffrn_reflns_theta_min         3.86
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.794
_exptl_absorpt_correction_T_max  0.6904
_exptl_absorpt_correction_T_min  0.6327
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   'DIFABS, (Walker & Stuart, 1983)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.988
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.516
_refine_diff_density_min         -1.293
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.879
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         7302
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.879
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0489
_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)+(0.0815P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1161
_refine_ls_wR_factor_ref         0.1198
_reflns_number_gt                4313
_reflns_number_total             7302
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b801231h.txt
_cod_data_source_block           (8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7051946
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.65919(4) 0.14847(3) 0.42149(3) 0.04546(15) Uani 1 1 d . . .
Ag2 Ag 0.20079(5) -0.43376(3) -0.44344(3) 0.04857(15) Uani 1 1 d . . .
Ag3 Ag 0.42076(5) 0.14904(4) 0.57667(3) 0.06078(18) Uani 1 1 d . . .
N1 N 0.6726(5) 0.2628(3) 0.6477(3) 0.0347(9) Uani 1 1 d . . .
N2 N 0.7677(5) 0.2650(3) 0.5850(3) 0.0341(9) Uani 1 1 d . . .
N3 N 0.3220(5) 0.0209(3) 0.4287(2) 0.0315(9) Uani 1 1 d . . .
N4 N 0.4128(4) 0.0241(3) 0.3634(3) 0.0322(9) Uani 1 1 d . . .
N5 N 0.0237(5) -0.4064(3) -0.3510(3) 0.0380(10) Uani 1 1 d . . .
N6 N -0.1315(5) -0.4651(3) -0.3948(3) 0.0342(9) Uani 1 1 d . . .
C1 C 0.7299(6) 0.3189(4) 0.7439(3) 0.0356(11) Uani 1 1 d . . .
H1 H 0.6603 0.3170 0.7854 0.043 Uiso 1 1 calc R . .
C2 C 0.8882(6) 0.3814(3) 0.7888(3) 0.0312(10) Uani 1 1 d . . .
C3 C 0.9846(6) 0.3811(4) 0.7241(3) 0.0360(11) Uani 1 1 d . . .
H3 H 1.0917 0.4196 0.7476 0.043 Uiso 1 1 calc R . .
C4 C 0.9198(6) 0.3226(4) 0.6233(3) 0.0365(11) Uani 1 1 d . . .
H4 H 0.9859 0.3234 0.5796 0.044 Uiso 1 1 calc R . .
C5 C 0.8471(7) 0.4705(5) 0.9520(4) 0.0512(15) Uani 1 1 d . . .
H5 H 0.7424 0.4506 0.9205 0.061 Uiso 1 1 calc R . .
C6 C 0.9449(6) 0.4418(3) 0.8972(3) 0.0307(10) Uani 1 1 d . . .
C7 C 1.0986(7) 0.4721(5) 0.9476(4) 0.0504(15) Uani 1 1 d . . .
H7 H 1.1671 0.4528 0.9121 0.060 Uiso 1 1 calc R . .
C8 C 0.3532(5) -0.0334(3) 0.2686(3) 0.0299(10) Uani 1 1 d . . .
H8 H 0.4188 -0.0290 0.2244 0.036 Uiso 1 1 calc R . .
C9 C 0.1944(6) -0.1023(3) 0.2287(3) 0.0311(10) Uani 1 1 d . . .
C10 C 0.1042(6) -0.1042(4) 0.2952(3) 0.0349(11) Uani 1 1 d . . .
H10 H -0.0015 -0.1471 0.2746 0.042 Uiso 1 1 calc R . .
C11 C 0.1720(6) -0.0407(4) 0.3955(3) 0.0370(12) Uani 1 1 d . . .
H11 H 0.1090 -0.0417 0.4413 0.044 Uiso 1 1 calc R . .
C12 C 0.1355(5) -0.1636(3) 0.1202(3) 0.0302(10) Uani 1 1 d . . .
C13 C 0.2360(6) -0.1890(5) 0.0642(4) 0.0475(14) Uani 1 1 d . . .
H13 H 0.3416 -0.1667 0.0948 0.057 Uiso 1 1 calc R . .
C14 C 0.1798(6) -0.2470(5) -0.0361(4) 0.0471(14) Uani 1 1 d . . .
H14 H 0.2481 -0.2649 -0.0726 0.056 Uiso 1 1 calc R . .
C15 C 0.0237(6) -0.2800(3) -0.0851(3) 0.0297(10) Uani 1 1 d . . .
C16 C -0.0754(6) -0.2561(4) -0.0290(4) 0.0437(13) Uani 1 1 d . . .
H16 H -0.1808 -0.2782 -0.0599 0.052 Uiso 1 1 calc R . .
C17 C -0.0213(6) -0.1996(4) 0.0725(4) 0.0442(14) Uani 1 1 d . . .
H17 H -0.0911 -0.1854 0.1096 0.053 Uiso 1 1 calc R . .
C18 C 0.0655(5) -0.3484(4) -0.2565(3) 0.0347(11) Uani 1 1 d . . .
H18 H 0.1713 -0.3078 -0.2288 0.042 Uiso 1 1 calc R . .
C19 C -0.0354(5) -0.3425(3) -0.1936(3) 0.0293(10) Uani 1 1 d . . .
C20 C -0.1920(6) -0.4013(4) -0.2400(3) 0.0359(11) Uani 1 1 d . . .
H20 H -0.2679 -0.4019 -0.2036 0.043 Uiso 1 1 calc R . .
C21 C -0.2332(6) -0.4592(4) -0.3417(3) 0.0410(12) Uani 1 1 d . . .
H21 H -0.3388 -0.4957 -0.3735 0.049 Uiso 1 1 calc R . .
C22 C 0.8980(6) 0.1254(4) 0.3246(4) 0.0392(12) Uani 1 1 d . . .
C23 C 1.4747(6) 0.2858(4) 0.3743(4) 0.0450(13) Uani 1 1 d . . .
C24 C 1.0343(5) 0.1353(3) 0.2819(3) 0.0317(10) Uani 1 1 d . . .
C25 C 1.1844(6) 0.2022(4) 0.3417(3) 0.0351(11) Uani 1 1 d . . .
H25 H 1.1953 0.2411 0.4082 0.042 Uiso 1 1 calc R . .
C26 C 1.3149(6) 0.2122(4) 0.3054(3) 0.0347(11) Uani 1 1 d . . .
C27 C 1.2984(6) 0.1564(4) 0.2064(4) 0.0393(11) Uani 1 1 d . . .
H27 H 1.3862 0.1627 0.1805 0.047 Uiso 1 1 calc R . .
C28 C 1.1496(7) 0.0902(4) 0.1445(3) 0.0401(12) Uani 1 1 d . . .
H28 H 1.1395 0.0523 0.0778 0.048 Uiso 1 1 calc R . .
C29 C 1.0199(6) 0.0807(4) 0.1812(3) 0.0379(12) Uani 1 1 d . . .
H29 H 0.9216 0.0378 0.1390 0.045 Uiso 1 1 calc R . .
O1 O 0.9232(5) 0.1645(3) 0.4186(3) 0.0575(12) Uani 1 1 d . . .
O2 O 0.7627(4) 0.0793(3) 0.2672(3) 0.0529(10) Uani 1 1 d . . .
O3 O 1.4830(5) 0.3370(4) 0.4601(3) 0.0737(15) Uani 1 1 d . . .
O4 O 1.5893(4) 0.2890(3) 0.3372(3) 0.0522(10) Uani 1 1 d . . .
O5 O 0.1683(5) 0.1668(3) 0.5756(3) 0.0476(9) Uani 1 1 d . . .
H1W H 0.0980 0.1703 0.5324 0.071 Uiso 1 1 d . . .
H2W H 0.2051 0.2257 0.6230 0.071 Uiso 1 1 d . . .
O6 O 0.4013(5) 0.1274(3) 0.7391(3) 0.0504(10) Uani 1 1 d . . .
H3W H 0.3868 0.1765 0.7806 0.076 Uiso 1 1 d . . .
H4W H 0.3451 0.0685 0.7443 0.076 Uiso 1 1 d . . .
O7 O 0.3067(8) -0.5761(4) -0.4139(3) 0.0843(18) Uani 1 1 d . . .
H5W H 0.3608 -0.6016 -0.4494 0.126 Uiso 1 1 d . . .
H6W H 0.3441 -0.5691 -0.3531 0.126 Uiso 1 1 d . . .
C30 C 0.5000 0.5000 1.0000 0.0368(16) Uani 1 2 d S . .
H30 H 0.5009 0.4436 1.0260 0.044 Uiso 0.50 1 d P . .
C31 C 0.5550(11) 0.6039(8) 1.0609(6) 0.034(2) Uani 0.50 1 d PD . .
C32 C 0.5586(12) 0.6845(8) 1.0240(8) 0.039(2) Uani 0.50 1 d P . .
H32 H 0.5998 0.7555 1.0698 0.047 Uiso 0.50 1 d P . .
C33 C 0.5012(12) 0.6641(9) 0.9228(7) 0.044(3) Uani 0.50 1 d P . .
H33 H 0.5030 0.7237 0.8979 0.053 Uiso 0.50 1 d P . .
C34 C 0.4418(12) 0.5626(8) 0.8544(7) 0.035(2) Uani 0.50 1 d P . .
H34 H 0.4031 0.5484 0.7836 0.042 Uiso 0.50 1 d P . .
C35 C 0.4383(11) 0.4793(8) 0.8909(7) 0.037(2) Uani 0.50 1 d PD . .
C36 C 0.6201(11) 0.6271(13) 1.1692(7) 0.0406(15) Uani 0.50 1 d PD . .
C37 C 0.3704(10) 0.3710(10) 0.8199(9) 0.0406(15) Uani 0.50 1 d PD . .
O8 O 0.5730(13) 0.5499(6) 1.2061(5) 0.065(3) Uani 0.50 1 d PD . .
O9 O 0.7158(10) 0.7167(6) 1.2225(6) 0.051(2) Uani 0.50 1 d PD . .
O10 O 0.3891(14) 0.2976(6) 0.8554(6) 0.066(3) Uani 0.50 1 d PD . .
O11 O 0.3007(13) 0.3493(8) 0.7333(6) 0.071(3) Uani 0.50 1 d PD . .
O12 O 0.4174(12) 0.1985(8) 0.9962(6) 0.067(3) Uani 0.50 1 d P . .
O13 O 0.6008(12) 0.3589(7) 1.1758(6) 0.062(2) Uani 0.50 1 d P . .
O14 O 0.3792(14) 0.0575(9) 0.9536(8) 0.076(3) Uani 0.50 1 d P . .
O15 O 0.5733(16) 0.0028(10) 1.0777(9) 0.093(4) Uani 0.50 1 d P . .
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
_geom_angle_publ_flag
N4 Ag1 N2 125.69(14) . . ?
N4 Ag1 O1 139.53(14) . . ?
N2 Ag1 O1 85.07(13) . . ?
N4 Ag1 O2 96.47(12) . . ?
N2 Ag1 O2 136.34(13) . . ?
O1 Ag1 O2 52.20(12) . . ?
N4 Ag1 Ag3 62.70(9) . . ?
N2 Ag1 Ag3 63.30(10) . . ?
O1 Ag1 Ag3 141.89(10) . . ?
O2 Ag1 Ag3 158.54(8) . . ?
N6 Ag2 O4 137.37(15) 2_544 2_755 ?
N6 Ag2 N5 123.54(14) 2_544 . ?
O4 Ag2 N5 95.17(14) 2_755 . ?
N6 Ag2 O7 83.39(15) 2_544 . ?
O4 Ag2 O7 96.65(18) 2_755 . ?
N5 Ag2 O7 115.01(19) . . ?
N3 Ag3 N1 128.87(14) . . ?
N3 Ag3 O6 125.76(14) . . ?
N1 Ag3 O6 88.73(14) . . ?
N3 Ag3 O5 91.29(13) . . ?
N1 Ag3 O5 133.57(14) . . ?
O6 Ag3 O5 82.98(14) . . ?
N3 Ag3 Ag1 64.48(10) . . ?
N1 Ag3 Ag1 65.24(9) . . ?
O6 Ag3 Ag1 139.73(11) . . ?
O5 Ag3 Ag1 137.26(9) . . ?
C1 N1 N2 119.6(4) . . ?
C1 N1 Ag3 125.3(3) . . ?
N2 N1 Ag3 115.0(2) . . ?
C4 N2 N1 118.3(4) . . ?
C4 N2 Ag1 124.7(3) . . ?
N1 N2 Ag1 116.4(3) . . ?
C11 N3 N4 119.0(3) . . ?
C11 N3 Ag3 123.2(3) . . ?
N4 N3 Ag3 115.9(3) . . ?
C8 N4 N3 119.8(4) . . ?
C8 N4 Ag1 123.1(3) . . ?
N3 N4 Ag1 116.6(2) . . ?
C18 N5 N6 118.9(4) . . ?
C18 N5 Ag2 122.9(3) . . ?
N6 N5 Ag2 117.6(3) . . ?
C21 N6 N5 119.2(4) . . ?
C21 N6 Ag2 122.3(3) . 2_544 ?
N5 N6 Ag2 118.5(3) . 2_544 ?
N1 C1 C2 124.8(5) . . ?
N1 C1 H1 117.6 . . ?
C2 C1 H1 117.6 . . ?
C3 C2 C1 114.9(4) . . ?
C3 C2 C6 123.0(4) . . ?
C1 C2 C6 122.1(4) . . ?
C2 C3 C4 118.6(4) . . ?
C2 C3 H3 120.7 . . ?
C4 C3 H3 120.7 . . ?
N2 C4 C3 123.8(4) . . ?
N2 C4 H4 118.1 . . ?
C3 C4 H4 118.1 . . ?
C7 C5 C6 120.7(5) 2_767 . ?
C7 C5 H5 119.7 2_767 . ?
C6 C5 H5 119.7 . . ?
C5 C6 C7 117.5(4) . . ?
C5 C6 C2 121.1(4) . . ?
C7 C6 C2 121.4(4) . . ?
C5 C7 C6 121.8(5) 2_767 . ?
C5 C7 H7 119.1 2_767 . ?
C6 C7 H7 119.1 . . ?
N4 C8 C9 123.9(4) . . ?
N4 C8 H8 118.0 . . ?
C9 C8 H8 118.0 . . ?
C10 C9 C8 115.7(4) . . ?
C10 C9 C12 123.7(4) . . ?
C8 C9 C12 120.6(4) . . ?
C9 C10 C11 118.7(4) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
N3 C11 C10 123.0(4) . . ?
N3 C11 H11 118.5 . . ?
C10 C11 H11 118.5 . . ?
C13 C12 C17 118.4(4) . . ?
C13 C12 C9 120.3(4) . . ?
C17 C12 C9 121.3(4) . . ?
C14 C13 C12 119.8(5) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C13 C14 C15 122.0(5) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 H14 119.0 . . ?
C16 C15 C14 117.9(4) . . ?
C16 C15 C19 120.7(4) . . ?
C14 C15 C19 121.4(4) . . ?
C15 C16 C17 120.9(5) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C16 C17 C12 121.0(5) . . ?
C16 C17 H17 119.5 . . ?
C12 C17 H17 119.5 . . ?
N5 C18 C19 125.1(4) . . ?
N5 C18 H18 117.5 . . ?
C19 C18 H18 117.5 . . ?
C20 C19 C18 114.8(4) . . ?
C20 C19 C15 123.8(4) . . ?
C18 C19 C15 121.3(4) . . ?
C21 C20 C19 118.7(5) . . ?
C21 C20 H20 120.7 . . ?
C19 C20 H20 120.7 . . ?
N6 C21 C20 123.1(4) . . ?
N6 C21 H21 118.5 . . ?
C20 C21 H21 118.5 . . ?
O1 C22 O2 123.0(5) . . ?
O1 C22 C24 117.2(4) . . ?
O2 C22 C24 119.8(4) . . ?
O3 C23 O4 124.5(5) . . ?
O3 C23 C26 119.1(5) . . ?
O4 C23 C26 116.3(5) . . ?
C29 C24 C25 118.0(5) . . ?
C29 C24 C22 121.7(4) . . ?
C25 C24 C22 120.3(4) . . ?
C26 C25 C24 122.2(4) . . ?
C26 C25 H25 118.9 . . ?
C24 C25 H25 118.9 . . ?
C25 C26 C27 118.9(4) . . ?
C25 C26 C23 119.7(4) . . ?
C27 C26 C23 121.4(5) . . ?
C26 C27 C28 120.2(5) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C29 C28 C27 120.6(4) . . ?
C29 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C28 C29 C24 120.1(4) . . ?
C28 C29 H29 120.0 . . ?
C24 C29 H29 120.0 . . ?
C22 O1 Ag1 96.4(3) . . ?
C22 O2 Ag1 87.5(3) . . ?
C23 O4 Ag2 107.0(3) . 2_755 ?
Ag3 O5 H1W 135.7 . . ?
Ag3 O5 H2W 94.9 . . ?
H1W O5 H2W 106.9 . . ?
Ag3 O6 H3W 115.7 . . ?
Ag3 O6 H4W 121.3 . . ?
H3W O6 H4W 108.2 . . ?
Ag2 O7 H5W 125.2 . . ?
Ag2 O7 H6W 116.5 . . ?
H5W O7 H6W 106.8 . . ?
C31 C30 C35 116.5(6) . . ?
C31 C30 H30 122.4 . . ?
C35 C30 H30 121.1 . . ?
C32 C31 C30 122.6(8) . . ?
C32 C31 C36 119.5(10) . . ?
C30 C31 C36 117.8(9) . . ?
C31 C32 H32 119.0 . . ?
C33 C32 H32 120.8 . . ?
C32 C33 C34 122.3(12) . . ?
C32 C33 H33 118.7 . . ?
C34 C33 H33 118.9 . . ?
C35 C34 C33 118.2(9) . . ?
C35 C34 H34 119.4 . . ?
C33 C34 H34 122.4 . . ?
C34 C35 C37 118.9(10) . . ?
C34 C35 C30 120.1(7) . . ?
C37 C35 C30 121.1(10) . . ?
O9 C36 O8 121.9(10) . . ?
O9 C36 C31 121.5(14) . . ?
O8 C36 C31 116.6(11) . . ?
O11 C37 O10 120.9(10) . . ?
O11 C37 C35 123.1(14) . . ?
O10 C37 C35 116.0(11) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N4 2.294(4) . ?
Ag1 N2 2.342(3) . ?
Ag1 O1 2.431(4) . ?
Ag1 O2 2.622(4) . ?
Ag1 Ag3 3.3633(6) . ?
Ag2 N6 2.256(3) 2_544 ?
Ag2 O4 2.321(3) 2_755 ?
Ag2 N5 2.333(4) . ?
Ag2 O7 2.621(5) . ?
Ag3 N3 2.243(3) . ?
Ag3 N1 2.298(4) . ?
Ag3 O6 2.427(4) . ?
Ag3 O5 2.471(4) . ?
N1 C1 1.328(5) . ?
N1 N2 1.349(6) . ?
N2 C4 1.347(6) . ?
N3 C11 1.338(6) . ?
N3 N4 1.348(6) . ?
N4 C8 1.318(5) . ?
N5 C18 1.313(5) . ?
N5 N6 1.384(5) . ?
N6 C21 1.311(7) . ?
N6 Ag2 2.256(3) 2_544 ?
C1 C2 1.418(7) . ?
C1 H1 0.9400 . ?
C2 C3 1.381(7) . ?
C2 C6 1.484(5) . ?
C3 C4 1.394(6) . ?
C3 H3 0.9400 . ?
C4 H4 0.9400 . ?
C5 C7 1.380(6) 2_767 ?
C5 C6 1.382(7) . ?
C5 H5 0.9400 . ?
C6 C7 1.395(7) . ?
C7 C5 1.380(6) 2_767 ?
C7 H7 0.9400 . ?
C8 C9 1.432(6) . ?
C8 H8 0.9400 . ?
C9 C10 1.356(7) . ?
C9 C12 1.488(5) . ?
C10 C11 1.407(6) . ?
C10 H10 0.9400 . ?
C11 H11 0.9400 . ?
C12 C13 1.397(7) . ?
C12 C17 1.400(7) . ?
C13 C14 1.380(6) . ?
C13 H13 0.9400 . ?
C14 C15 1.402(7) . ?
C14 H14 0.9400 . ?
C15 C16 1.379(7) . ?
C15 C19 1.493(5) . ?
C16 C17 1.389(6) . ?
C16 H16 0.9400 . ?
C17 H17 0.9400 . ?
C18 C19 1.401(7) . ?
C18 H18 0.9400 . ?
C19 C20 1.400(7) . ?
C20 C21 1.397(6) . ?
C20 H20 0.9400 . ?
C21 H21 0.9400 . ?
C22 O1 1.266(6) . ?
C22 O2 1.271(6) . ?
C22 C24 1.478(7) . ?
C23 O3 1.230(7) . ?
C23 O4 1.260(7) . ?
C23 C26 1.539(6) . ?
C24 C29 1.411(6) . ?
C24 C25 1.418(6) . ?
C25 C26 1.378(7) . ?
C25 H25 0.9400 . ?
C26 C27 1.389(7) . ?
C27 C28 1.416(7) . ?
C27 H27 0.9400 . ?
C28 C29 1.375(8) . ?
C28 H28 0.9400 . ?
C29 H29 0.9400 . ?
O4 Ag2 2.321(3) 2_755 ?
O5 H1W 0.8599 . ?
O5 H2W 0.8585 . ?
O6 H3W 0.8560 . ?
O6 H4W 0.8596 . ?
O7 H5W 0.8651 . ?
O7 H6W 0.8535 . ?
C30 C31 1.391(9) . ?
C30 C35 1.494(10) . ?
C30 H30 0.9647 . ?
C31 C32 1.366(16) . ?
C31 C36 1.482(5) . ?
C32 C33 1.382(15) . ?
C32 H32 0.9684 . ?
C33 C34 1.399(15) . ?
C33 H33 0.9914 . ?
C34 C35 1.398(16) . ?
C34 H34 0.9661 . ?
C35 C37 1.483(5) . ?
C36 O9 1.260(16) . ?
C36 O8 1.309(19) . ?
C37 O10 1.314(19) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Ag1 Ag3 N3 2.54(18) . . . . ?
N2 Ag1 Ag3 N3 -171.42(17) . . . . ?
O1 Ag1 Ag3 N3 -134.3(2) . . . . ?
O2 Ag1 Ag3 N3 -12.4(3) . . . . ?
N4 Ag1 Ag3 N1 172.93(18) . . . . ?
N2 Ag1 Ag3 N1 -1.02(18) . . . . ?
O1 Ag1 Ag3 N1 36.1(2) . . . . ?
O2 Ag1 Ag3 N1 158.0(3) . . . . ?
N4 Ag1 Ag3 O6 118.53(19) . . . . ?
N2 Ag1 Ag3 O6 -55.42(18) . . . . ?
O1 Ag1 Ag3 O6 -18.3(2) . . . . ?
O2 Ag1 Ag3 O6 103.6(3) . . . . ?
N4 Ag1 Ag3 O5 -58.80(18) . . . . ?
N2 Ag1 Ag3 O5 127.25(18) . . . . ?
O1 Ag1 Ag3 O5 164.4(2) . . . . ?
O2 Ag1 Ag3 O5 -73.7(3) . . . . ?
N3 Ag3 N1 C1 -162.6(4) . . . . ?
O6 Ag3 N1 C1 -25.4(4) . . . . ?
O5 Ag3 N1 C1 53.6(5) . . . . ?
Ag1 Ag3 N1 C1 -173.7(5) . . . . ?
N3 Ag3 N1 N2 12.9(5) . . . . ?
O6 Ag3 N1 N2 150.0(4) . . . . ?
O5 Ag3 N1 N2 -130.9(3) . . . . ?
Ag1 Ag3 N1 N2 1.8(3) . . . . ?
C1 N1 N2 C4 1.6(7) . . . . ?
Ag3 N1 N2 C4 -174.1(4) . . . . ?
C1 N1 N2 Ag1 173.2(4) . . . . ?
Ag3 N1 N2 Ag1 -2.6(5) . . . . ?
N4 Ag1 N2 C4 166.1(4) . . . . ?
O1 Ag1 N2 C4 14.7(4) . . . . ?
O2 Ag1 N2 C4 3.6(5) . . . . ?
Ag3 Ag1 N2 C4 172.7(5) . . . . ?
N4 Ag1 N2 N1 -4.8(4) . . . . ?
O1 Ag1 N2 N1 -156.3(4) . . . . ?
O2 Ag1 N2 N1 -167.3(3) . . . . ?
Ag3 Ag1 N2 N1 1.8(3) . . . . ?
N1 Ag3 N3 C11 179.9(4) . . . . ?
O6 Ag3 N3 C11 56.8(5) . . . . ?
O5 Ag3 N3 C11 -25.5(4) . . . . ?
Ag1 Ag3 N3 C11 -168.9(5) . . . . ?
N1 Ag3 N3 N4 -15.5(4) . . . . ?
O6 Ag3 N3 N4 -138.5(3) . . . . ?
O5 Ag3 N3 N4 139.2(4) . . . . ?
Ag1 Ag3 N3 N4 -4.3(3) . . . . ?
C11 N3 N4 C8 -0.3(7) . . . . ?
Ag3 N3 N4 C8 -165.6(3) . . . . ?
C11 N3 N4 Ag1 171.6(4) . . . . ?
Ag3 N3 N4 Ag1 6.3(5) . . . . ?
N2 Ag1 N4 C8 174.0(4) . . . . ?
O1 Ag1 N4 C8 -53.2(5) . . . . ?
O2 Ag1 N4 C8 -18.0(4) . . . . ?
Ag3 Ag1 N4 C8 167.4(4) . . . . ?
N2 Ag1 N4 N3 2.4(4) . . . . ?
O1 Ag1 N4 N3 135.1(3) . . . . ?
O2 Ag1 N4 N3 170.3(4) . . . . ?
Ag3 Ag1 N4 N3 -4.3(3) . . . . ?
N6 Ag2 N5 C18 179.0(4) 2_544 . . . ?
O4 Ag2 N5 C18 -19.8(4) 2_755 . . . ?
O7 Ag2 N5 C18 80.0(4) . . . . ?
N6 Ag2 N5 N6 7.7(5) 2_544 . . . ?
O4 Ag2 N5 N6 168.9(4) 2_755 . . . ?
O7 Ag2 N5 N6 -91.3(4) . . . . ?
C18 N5 N6 C21 1.9(8) . . . . ?
Ag2 N5 N6 C21 173.5(4) . . . . ?
C18 N5 N6 Ag2 -179.0(4) . . . 2_544 ?
Ag2 N5 N6 Ag2 -7.3(5) . . . 2_544 ?
N2 N1 C1 C2 -1.4(8) . . . . ?
Ag3 N1 C1 C2 173.8(4) . . . . ?
N1 C1 C2 C3 0.1(8) . . . . ?
N1 C1 C2 C6 -179.6(5) . . . . ?
C1 C2 C3 C4 0.9(7) . . . . ?
C6 C2 C3 C4 -179.4(5) . . . . ?
N1 N2 C4 C3 -0.6(8) . . . . ?
Ag1 N2 C4 C3 -171.4(4) . . . . ?
C2 C3 C4 N2 -0.7(8) . . . . ?
C7 C5 C6 C7 0.7(10) 2_767 . . . ?
C7 C5 C6 C2 -179.1(6) 2_767 . . . ?
C3 C2 C6 C5 157.3(6) . . . . ?
C1 C2 C6 C5 -23.0(8) . . . . ?
C3 C2 C6 C7 -22.5(8) . . . . ?
C1 C2 C6 C7 157.2(6) . . . . ?
C5 C6 C7 C5 -0.8(10) . . . 2_767 ?
C2 C6 C7 C5 179.1(6) . . . 2_767 ?
N3 N4 C8 C9 -0.8(7) . . . . ?
Ag1 N4 C8 C9 -172.2(4) . . . . ?
N4 C8 C9 C10 1.2(8) . . . . ?
N4 C8 C9 C12 179.1(5) . . . . ?
C8 C9 C10 C11 -0.5(7) . . . . ?
C12 C9 C10 C11 -178.3(5) . . . . ?
N4 N3 C11 C10 1.0(8) . . . . ?
Ag3 N3 C11 C10 165.2(4) . . . . ?
C9 C10 C11 N3 -0.6(8) . . . . ?
C10 C9 C12 C13 -156.6(6) . . . . ?
C8 C9 C12 C13 25.6(7) . . . . ?
C10 C9 C12 C17 21.5(8) . . . . ?
C8 C9 C12 C17 -156.2(5) . . . . ?
C17 C12 C13 C14 1.0(9) . . . . ?
C9 C12 C13 C14 179.2(5) . . . . ?
C12 C13 C14 C15 1.3(9) . . . . ?
C13 C14 C15 C16 -2.3(9) . . . . ?
C13 C14 C15 C19 179.9(5) . . . . ?
C14 C15 C16 C17 0.9(9) . . . . ?
C19 C15 C16 C17 178.8(5) . . . . ?
C15 C16 C17 C12 1.3(9) . . . . ?
C13 C12 C17 C16 -2.3(9) . . . . ?
C9 C12 C17 C16 179.5(5) . . . . ?
N6 N5 C18 C19 1.6(8) . . . . ?
Ag2 N5 C18 C19 -169.6(4) . . . . ?
N5 C18 C19 C20 -2.5(8) . . . . ?
N5 C18 C19 C15 175.8(5) . . . . ?
C16 C15 C19 C20 -15.9(8) . . . . ?
C14 C15 C19 C20 161.9(5) . . . . ?
C16 C15 C19 C18 166.0(5) . . . . ?
C14 C15 C19 C18 -16.2(8) . . . . ?
C18 C19 C20 C21 0.1(8) . . . . ?
C15 C19 C20 C21 -178.1(5) . . . . ?
N5 N6 C21 C20 -4.3(9) . . . . ?
Ag2 N6 C21 C20 176.6(4) 2_544 . . . ?
C19 C20 C21 N6 3.3(9) . . . . ?
O1 C22 C24 C29 169.8(5) . . . . ?
O2 C22 C24 C29 -10.3(8) . . . . ?
O1 C22 C24 C25 -11.3(8) . . . . ?
O2 C22 C24 C25 168.6(5) . . . . ?
C29 C24 C25 C26 -2.3(8) . . . . ?
C22 C24 C25 C26 178.7(5) . . . . ?
C24 C25 C26 C27 1.3(8) . . . . ?
C24 C25 C26 C23 -179.6(5) . . . . ?
O3 C23 C26 C25 -2.1(9) . . . . ?
O4 C23 C26 C25 178.1(5) . . . . ?
O3 C23 C26 C27 176.9(6) . . . . ?
O4 C23 C26 C27 -2.9(8) . . . . ?
C25 C26 C27 C28 -0.3(8) . . . . ?
C23 C26 C27 C28 -179.3(5) . . . . ?
C26 C27 C28 C29 0.4(9) . . . . ?
C27 C28 C29 C24 -1.5(9) . . . . ?
C25 C24 C29 C28 2.4(8) . . . . ?
C22 C24 C29 C28 -178.7(5) . . . . ?
O2 C22 O1 Ag1 -10.7(6) . . . . ?
C24 C22 O1 Ag1 169.1(4) . . . . ?
N4 Ag1 O1 C22 51.9(5) . . . . ?
N2 Ag1 O1 C22 -164.9(4) . . . . ?
O2 Ag1 O1 C22 5.5(3) . . . . ?
Ag3 Ag1 O1 C22 162.4(3) . . . . ?
O1 C22 O2 Ag1 9.9(6) . . . . ?
C24 C22 O2 Ag1 -170.0(5) . . . . ?
N4 Ag1 O2 C22 -157.2(3) . . . . ?
N2 Ag1 O2 C22 8.5(4) . . . . ?
O1 Ag1 O2 C22 -5.5(3) . . . . ?
Ag3 Ag1 O2 C22 -143.9(3) . . . . ?
O3 C23 O4 Ag2 -13.5(8) . . . 2_755 ?
C26 C23 O4 Ag2 166.3(4) . . . 2_755 ?
