#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:39:03 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179540 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/09/4500930.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_4500930
loop_
_publ_author_name
'Hao, Hong-Jun'
'Sun, Di'
'Li, Yun-Hua'
'Liu, Fu-Jing'
'Huang, Rong-Bin'
'Zheng, Lan-Sun'
_publ_section_title
;
 Effect of Different Carboxylates on a Series of Ag(I) Coordination
 Compounds with Benzoguanamine Ligand
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3564
_journal_paper_doi               10.1021/cg200534x
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C35 H31 Ag2 N15 O13'
_chemical_formula_weight         1085.49
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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                90.000(2)
_cell_angle_beta                 118.940(2)
_cell_angle_gamma                90.000(2)
_cell_formula_units_Z            4
_cell_length_a                   13.3870(14)
_cell_length_b                   32.4616(16)
_cell_length_c                   10.381(2)
_cell_measurement_reflns_used    9736
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      56.843
_cell_measurement_theta_min      5.123
_cell_volume                     3947.9(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean none
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'φ and ω'
_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  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10566
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.85
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.080
_exptl_absorpt_correction_T_max  0.8130
_exptl_absorpt_correction_T_min  0.6719
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.826
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.703
_refine_diff_density_min         -0.427
_refine_diff_density_rms         0.064
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.014(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         6929
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0459P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0701
_refine_ls_wR_factor_ref         0.0703
_reflns_number_gt                6868
_reflns_number_total             6929
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg200534x_si_002.cif
_cod_data_source_block           p7
_cod_original_cell_volume        3948.0(10)
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               4500930
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.82593(2) 0.121256(7) 1.33882(2) 0.02651(7) Uani 1 1 d .
Ag2 Ag 0.76026(2) 0.038031(8) 1.43040(3) 0.03026(8) Uani 1 1 d .
C1 C 0.7802(3) 0.32232(9) 1.2840(4) 0.0203(6) Uani 1 1 d .
C2 C 0.8300(3) 0.34564(10) 1.4113(4) 0.0235(7) Uani 1 1 d .
H2A H 0.8761 0.3326 1.5033 0.028 Uiso 1 1 calc R
C3 C 0.8135(3) 0.38774(11) 1.4062(4) 0.0281(8) Uani 1 1 d .
H3A H 0.8467 0.4034 1.4944 0.034 Uiso 1 1 calc R
C4 C 0.7486(3) 0.40696(11) 1.2723(5) 0.0319(8) Uani 1 1 d .
H4A H 0.7363 0.4359 1.2689 0.038 Uiso 1 1 calc R
C5 C 0.7017(3) 0.38459(11) 1.1438(5) 0.0309(8) Uani 1 1 d .
H5A H 0.6590 0.3981 1.0519 0.037 Uiso 1 1 calc R
C6 C 0.7169(3) 0.34213(11) 1.1488(4) 0.0261(7) Uani 1 1 d .
H6A H 0.6842 0.3266 1.0601 0.031 Uiso 1 1 calc R
C7 C 0.7881(3) 0.27657(10) 1.2935(4) 0.0196(6) Uani 1 1 d .
C8 C 0.7091(3) 0.21420(10) 1.2114(4) 0.0184(6) Uani 1 1 d .
C9 C 0.8817(3) 0.21978(10) 1.4178(3) 0.0183(6) Uani 1 1 d .
C10 C 0.8892(3) 0.15878(10) 1.0853(4) 0.0243(7) Uani 1 1 d .
C11 C 0.8255(4) 0.18802(11) 0.9804(5) 0.0351(9) Uani 1 1 d .
H11A H 0.7595 0.1802 0.8920 0.042 Uiso 1 1 calc R
C12 C 0.8596(4) 0.22911(12) 1.0064(5) 0.0441(11) Uani 1 1 d .
H12A H 0.8175 0.2494 0.9346 0.053 Uiso 1 1 calc R
C13 C 0.9536(4) 0.24030(12) 1.1352(5) 0.0445(11) Uani 1 1 d .
H13A H 0.9753 0.2685 1.1522 0.053 Uiso 1 1 calc R
C14 C 1.0170(4) 0.21166(12) 1.2399(5) 0.0382(9) Uani 1 1 d .
H14A H 1.0829 0.2199 1.3279 0.046 Uiso 1 1 calc R
C15 C 0.9841(3) 0.17015(12) 1.2166(4) 0.0299(8) Uani 1 1 d .
H15A H 1.0261 0.1501 1.2895 0.036 Uiso 1 1 calc R
C16 C 0.8575(3) 0.11447(10) 1.0563(4) 0.0211(6) Uani 1 1 d .
C17 C 0.7785(3) 0.06216(10) 0.8955(4) 0.0218(7) Uani 1 1 d .
C18 C 0.8673(3) 0.04944(10) 1.1400(4) 0.0226(7) Uani 1 1 d .
C19 C 0.9530(3) 0.09155(10) 1.6748(4) 0.0205(7) Uani 1 1 d .
C20 C 1.0262(3) 0.10188(11) 1.8368(4) 0.0221(7) Uani 1 1 d .
C21 C 1.0566(3) 0.07180(11) 1.9421(4) 0.0254(7) Uani 1 1 d .
H21A H 1.0329 0.0441 1.9144 0.031 Uiso 1 1 calc R
C22 C 1.1219(3) 0.08208(12) 2.0885(4) 0.0277(8) Uani 1 1 d .
C23 C 1.1603(3) 0.12161(11) 2.1346(4) 0.0269(8) Uani 1 1 d .
H23A H 1.2054 0.1282 2.2360 0.032 Uiso 1 1 calc R
C24 C 1.1303(3) 0.15083(11) 2.0273(4) 0.0253(7) Uani 1 1 d .
C25 C 1.0615(3) 0.14234(11) 1.8779(4) 0.0222(7) Uani 1 1 d .
H25A H 1.0393 0.1636 1.8064 0.027 Uiso 1 1 calc R
C26 C 0.6142(3) 0.06630(11) 1.1082(4) 0.0227(7) Uani 1 1 d .
C27 C 0.5471(3) 0.06125(10) 0.9430(3) 0.0186(6) Uani 1 1 d .
C28 C 0.5316(3) 0.09516(10) 0.8526(4) 0.0198(6) Uani 1 1 d .
H28A H 0.5638 0.1211 0.8940 0.024 Uiso 1 1 calc R
C29 C 0.4691(3) 0.09032(10) 0.7029(4) 0.0208(6) Uani 1 1 d .
C30 C 0.4198(3) 0.05336(11) 0.6367(4) 0.0231(7) Uani 1 1 d .
H30A H 0.3762 0.0507 0.5328 0.028 Uiso 1 1 calc R
C31 C 0.4373(3) 0.02077(10) 0.7292(4) 0.0209(7) Uani 1 1 d .
C32 C 0.5007(3) 0.02340(11) 0.8814(4) 0.0218(7) Uani 1 1 d .
H32A H 0.5118 -0.0001 0.9416 0.026 Uiso 1 1 calc R
C33 C 0.7005(4) 0.17329(15) 1.5765(5) 0.0419(10) Uani 1 1 d .
H33A H 0.7376 0.1502 1.6436 0.063 Uiso 1 1 calc R
H33B H 0.6757 0.1937 1.6248 0.063 Uiso 1 1 calc R
H33C H 0.7545 0.1861 1.5503 0.063 Uiso 1 1 calc R
C34 C 0.5162(4) 0.18858(13) 1.3551(5) 0.0361(9) Uani 1 1 d .
H34A H 0.4522 0.1745 1.2731 0.054 Uiso 1 1 calc R
H34B H 0.5494 0.2088 1.3165 0.054 Uiso 1 1 calc R
H34C H 0.4887 0.2027 1.4154 0.054 Uiso 1 1 calc R
C35 C 0.5888(3) 0.11882(11) 1.4122(4) 0.0307(8) Uani 1 1 d .
H35A H 0.5238 0.1108 1.3230 0.037 Uiso 1 1 calc R
N1 N 1.1723(3) 0.19324(10) 2.0686(4) 0.0336(7) Uani 1 1 d .
N2 N 1.1484(3) 0.04964(12) 2.2008(4) 0.0369(8) Uani 1 1 d .
N3 N 0.4516(3) 0.12636(10) 0.6089(4) 0.0273(7) Uani 1 1 d .
N4 N 0.3843(3) -0.01906(9) 0.6639(4) 0.0297(7) Uani 1 1 d .
N5 N 0.7973(2) 0.19478(8) 1.3220(3) 0.0184(5) Uani 1 1 d .
N6 N 0.6995(2) 0.25543(8) 1.1934(3) 0.0200(5) Uani 1 1 d .
N7 N 0.8819(2) 0.26104(8) 1.4057(3) 0.0186(5) Uani 1 1 d .
N8 N 0.9703(2) 0.20310(9) 1.5324(3) 0.0260(6) Uani 1 1 d .
H8A H 1.0257 0.2189 1.5961 0.031 Uiso 1 1 calc R
H8B H 0.9739 0.1762 1.5450 0.031 Uiso 1 1 calc R
N9 N 0.6232(2) 0.19155(9) 1.1116(3) 0.0245(6) Uani 1 1 d .
H9A H 0.6254 0.1645 1.1193 0.029 Uiso 1 1 calc R
H9B H 0.5645 0.2036 1.0380 0.029 Uiso 1 1 calc R
N10 N 0.9048(3) 0.02354(9) 1.2527(3) 0.0275(7) Uani 1 1 d .
H10A H 0.8923 -0.0031 1.2367 0.033 Uiso 1 1 calc R
H10B H 0.9421 0.0330 1.3434 0.033 Uiso 1 1 calc R
N11 N 0.7187(3) 0.04983(9) 0.7557(3) 0.0260(6) Uani 1 1 d .
H11B H 0.7010 0.0237 0.7353 0.031 Uiso 1 1 calc R
H11C H 0.6969 0.0679 0.6838 0.031 Uiso 1 1 calc R
N12 N 0.8888(2) 0.09018(8) 1.1730(3) 0.0223(6) Uani 1 1 d .
N13 N 0.8108(2) 0.03407(8) 1.0033(3) 0.0217(6) Uani 1 1 d .
N14 N 0.8026(2) 0.10294(8) 0.9167(3) 0.0219(6) Uani 1 1 d .
N15 N 0.6027(2) 0.15844(10) 1.4450(3) 0.0278(6) Uani 1 1 d .
O1 O 0.3907(3) -0.04704(8) 0.7447(3) 0.0394(7) Uani 1 1 d .
O2 O 0.3350(3) -0.02121(9) 0.5295(3) 0.0442(8) Uani 1 1 d .
O3 O 0.5023(3) 0.15775(9) 0.6682(3) 0.0408(7) Uani 1 1 d .
O4 O 0.3876(3) 0.12270(9) 0.4763(3) 0.0410(7) Uani 1 1 d .
O5 O 1.1366(3) 0.01409(10) 2.1598(4) 0.0564(9) Uani 1 1 d .
O6 O 1.1791(3) 0.06088(11) 2.3262(3) 0.0478(8) Uani 1 1 d .
O7 O 1.2395(3) 0.19987(10) 2.1994(3) 0.0495(8) Uani 1 1 d .
O8 O 1.1402(3) 0.21919(9) 1.9729(4) 0.0500(8) Uani 1 1 d .
O9 O 0.9159(2) 0.05560(8) 1.6451(3) 0.0345(6) Uani 1 1 d .
O10 O 0.9360(2) 0.11961(7) 1.5852(3) 0.0284(6) Uani 1 1 d .
O11 O 0.6454(2) 0.10206(7) 1.1557(3) 0.0283(5) Uani 1 1 d .
O12 O 0.6342(3) 0.03433(7) 1.1844(3) 0.0290(6) Uani 1 1 d .
O13 O 0.6545(3) 0.09144(9) 1.4894(3) 0.0442(7) Uani 1 1 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'
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
O10 Ag1 O11 140.65(10) . . y
O10 Ag1 N5 95.72(9) . . y
O11 Ag1 N5 98.06(8) . . y
O10 Ag1 N12 121.76(10) . . y
O11 Ag1 N12 83.68(9) . . y
N5 Ag1 N12 116.75(9) . . y
O10 Ag1 Ag2 76.11(6) . . ?
O11 Ag1 Ag2 71.53(6) . . ?
N5 Ag1 Ag2 145.00(6) . . ?
N12 Ag1 Ag2 95.73(7) . . ?
O9 Ag2 O12 160.60(10) . . y
O9 Ag2 N13 87.23(9) . 2 y
O12 Ag2 N13 103.84(9) . 2 y
O9 Ag2 O13 86.80(11) . . y
O12 Ag2 O13 96.37(10) . . y
N13 Ag2 O13 133.78(10) 2 . y
O9 Ag2 Ag1 79.74(7) . . ?
O12 Ag2 Ag1 82.53(7) . . ?
N13 Ag2 Ag1 147.36(7) 2 . ?
O13 Ag2 Ag1 75.57(7) . . ?
C2 C1 C6 119.1(3) . . ?
C2 C1 C7 119.8(3) . . ?
C6 C1 C7 121.0(3) . . ?
C3 C2 C1 120.7(3) . . ?
C3 C2 H2A 119.6 . . ?
C1 C2 H2A 119.6 . . ?
C2 C3 C4 119.8(4) . . ?
C2 C3 H3A 120.1 . . ?
C4 C3 H3A 120.1 . . ?
C5 C4 C3 120.5(3) . . ?
C5 C4 H4A 119.8 . . ?
C3 C4 H4A 119.8 . . ?
C4 C5 C6 119.9(4) . . ?
C4 C5 H5A 120.1 . . ?
C6 C5 H5A 120.1 . . ?
C5 C6 C1 120.0(3) . . ?
C5 C6 H6A 120.0 . . ?
C1 C6 H6A 120.0 . . ?
N7 C7 N6 126.6(3) . . ?
N7 C7 C1 116.3(3) . . ?
N6 C7 C1 117.1(3) . . ?
N9 C8 N5 118.4(3) . . ?
N9 C8 N6 116.8(3) . . ?
N5 C8 N6 124.8(3) . . ?
N8 C9 N7 116.7(3) . . ?
N8 C9 N5 118.8(3) . . ?
N7 C9 N5 124.5(3) . . ?
C11 C10 C15 120.8(3) . . ?
C11 C10 C16 119.8(3) . . ?
C15 C10 C16 119.4(3) . . ?
C10 C11 C12 119.0(4) . . ?
C10 C11 H11A 120.5 . . ?
C12 C11 H11A 120.5 . . ?
C13 C12 C11 120.2(4) . . ?
C13 C12 H12A 119.9 . . ?
C11 C12 H12A 119.9 . . ?
C14 C13 C12 121.3(4) . . ?
C14 C13 H13A 119.4 . . ?
C12 C13 H13A 119.4 . . ?
C13 C14 C15 119.6(4) . . ?
C13 C14 H14A 120.2 . . ?
C15 C14 H14A 120.2 . . ?
C10 C15 C14 119.1(4) . . ?
C10 C15 H15A 120.5 . . ?
C14 C15 H15A 120.5 . . ?
N14 C16 N12 126.3(3) . . ?
N14 C16 C10 116.6(3) . . ?
N12 C16 C10 117.1(3) . . ?
N11 C17 N13 119.0(3) . . ?
N11 C17 N14 116.1(3) . . ?
N13 C17 N14 125.0(3) . . ?
N10 C18 N13 118.5(3) . . ?
N10 C18 N12 116.8(3) . . ?
N13 C18 N12 124.8(3) . . ?
O9 C19 O10 126.5(3) . . ?
O9 C19 C20 116.6(3) . . ?
O10 C19 C20 117.0(3) . . ?
C21 C20 C25 120.1(3) . . ?
C21 C20 C19 120.6(3) . . ?
C25 C20 C19 119.3(3) . . ?
C20 C21 C22 119.5(3) . . ?
C20 C21 H21A 120.3 . . ?
C22 C21 H21A 120.3 . . ?
C21 C22 C23 122.6(4) . . ?
C21 C22 N2 118.6(3) . . ?
C23 C22 N2 118.8(3) . . ?
C24 C23 C22 116.7(3) . . ?
C24 C23 H23A 121.6 . . ?
C22 C23 H23A 121.6 . . ?
C23 C24 C25 123.0(3) . . ?
C23 C24 N1 119.5(3) . . ?
C25 C24 N1 117.6(3) . . ?
C20 C25 C24 118.1(3) . . ?
C20 C25 H25A 120.9 . . ?
C24 C25 H25A 120.9 . . ?
O11 C26 O12 126.2(3) . . ?
O11 C26 C27 116.7(3) . . ?
O12 C26 C27 117.1(3) . . ?
C32 C27 C28 120.1(3) . . ?
C32 C27 C26 120.5(3) . . ?
C28 C27 C26 119.4(3) . . ?
C29 C28 C27 118.8(3) . . ?
C29 C28 H28A 120.6 . . ?
C27 C28 H28A 120.6 . . ?
C28 C29 C30 123.1(3) . . ?
C28 C29 N3 118.4(3) . . ?
C30 C29 N3 118.5(3) . . ?
C31 C30 C29 116.3(3) . . ?
C31 C30 H30A 121.8 . . ?
C29 C30 H30A 121.8 . . ?
C30 C31 C32 123.6(3) . . ?
C30 C31 N4 118.3(3) . . ?
C32 C31 N4 118.1(3) . . ?
C31 C32 C27 118.1(3) . . ?
C31 C32 H32A 121.0 . . ?
C27 C32 H32A 121.0 . . ?
N15 C33 H33A 109.5 . . ?
N15 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
N15 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N15 C34 H34A 109.5 . . ?
N15 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N15 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O13 C35 N15 124.6(4) . . ?
O13 C35 H35A 117.7 . . ?
N15 C35 H35A 117.7 . . ?
O8 N1 O7 124.2(4) . . ?
O8 N1 C24 118.6(3) . . ?
O7 N1 C24 117.2(4) . . ?
O5 N2 O6 125.5(4) . . ?
O5 N2 C22 117.3(3) . . ?
O6 N2 C22 117.2(4) . . ?
O3 N3 O4 124.5(3) . . ?
O3 N3 C29 117.5(3) . . ?
O4 N3 C29 118.0(3) . . ?
O1 N4 O2 124.5(3) . . ?
O1 N4 C31 118.8(3) . . ?
O2 N4 C31 116.7(3) . . ?
C8 N5 C9 115.0(3) . . ?
C8 N5 Ag1 124.8(2) . . ?
C9 N5 Ag1 119.53(19) . . ?
C7 N6 C8 114.5(3) . . ?
C7 N7 C9 114.5(3) . . ?
C9 N8 H8A 120.0 . . ?
C9 N8 H8B 120.0 . . ?
H8A N8 H8B 120.0 . . ?
C8 N9 H9A 120.0 . . ?
C8 N9 H9B 120.0 . . ?
H9A N9 H9B 120.0 . . ?
C18 N10 H10A 120.0 . . ?
C18 N10 H10B 120.0 . . ?
H10A N10 H10B 120.0 . . ?
C17 N11 H11B 120.0 . . ?
C17 N11 H11C 120.0 . . ?
H11B N11 H11C 120.0 . . ?
C16 N12 C18 114.3(3) . . ?
C16 N12 Ag1 109.2(2) . . ?
C18 N12 Ag1 118.1(2) . . ?
C17 N13 C18 114.8(3) . . ?
C17 N13 Ag2 117.5(2) . 2_554 ?
C18 N13 Ag2 127.7(2) . 2_554 ?
C16 N14 C17 114.6(3) . . ?
C35 N15 C33 121.3(3) . . ?
C35 N15 C34 121.4(3) . . ?
C33 N15 C34 117.2(3) . . ?
C19 O9 Ag2 123.0(2) . . ?
C19 O10 Ag1 130.6(2) . . ?
C26 O11 Ag1 126.1(2) . . ?
C26 O12 Ag2 118.6(2) . . ?
C35 O13 Ag2 130.6(2) . . ?
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 O10 2.251(3) . y
Ag1 O11 2.323(2) . y
Ag1 N5 2.410(3) . y
Ag1 N12 2.468(3) . y
Ag1 Ag2 3.1280(4) . ?
Ag2 O9 2.267(3) . y
Ag2 O12 2.283(3) . y
Ag2 N13 2.452(3) 2 y
Ag2 O13 2.495(3) . y
C1 C2 1.382(5) . ?
C1 C6 1.397(5) . ?
C1 C7 1.489(4) . ?
C2 C3 1.381(5) . ?
C2 H2A 0.9500 . ?
C3 C4 1.381(6) . ?
C3 H3A 0.9500 . ?
C4 C5 1.375(6) . ?
C4 H4A 0.9500 . ?
C5 C6 1.390(5) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 N7 1.331(4) . ?
C7 N6 1.329(4) . ?
C8 N9 1.335(4) . ?
C8 N5 1.341(4) . ?
C8 N6 1.349(4) . ?
C9 N8 1.323(4) . ?
C9 N7 1.345(4) . ?
C9 N5 1.355(4) . ?
C10 C11 1.383(5) . ?
C10 C15 1.390(5) . ?
C10 C16 1.489(5) . ?
C11 C12 1.393(5) . ?
C11 H11A 0.9500 . ?
C12 C13 1.369(7) . ?
C12 H12A 0.9500 . ?
C13 C14 1.369(7) . ?
C13 H13A 0.9500 . ?
C14 C15 1.402(5) . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9500 . ?
C16 N14 1.323(5) . ?
C16 N12 1.332(4) . ?
C17 N11 1.336(4) . ?
C17 N13 1.342(4) . ?
C17 N14 1.355(4) . ?
C18 N10 1.326(5) . ?
C18 N13 1.340(4) . ?
C18 N12 1.361(4) . ?
C19 O9 1.247(4) . ?
C19 O10 1.242(4) . ?
C19 C20 1.518(5) . ?
C20 C21 1.373(5) . ?
C20 C25 1.391(5) . ?
C21 C22 1.378(5) . ?
C21 H21A 0.9500 . ?
C22 C23 1.379(5) . ?
C22 N2 1.481(5) . ?
C23 C24 1.367(5) . ?
C23 H23A 0.9500 . ?
C24 C25 1.395(5) . ?
C24 N1 1.470(5) . ?
C25 H25A 0.9500 . ?
C26 O11 1.251(4) . ?
C26 O12 1.253(4) . ?
C26 C27 1.511(4) . ?
C27 C32 1.386(5) . ?
C27 C28 1.395(5) . ?
C28 C29 1.372(5) . ?
C28 H28A 0.9500 . ?
C29 C30 1.381(5) . ?
C29 N3 1.468(4) . ?
C30 C31 1.371(5) . ?
C30 H30A 0.9500 . ?
C31 C32 1.387(5) . ?
C31 N4 1.473(4) . ?
C32 H32A 0.9500 . ?
C33 N15 1.442(5) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 N15 1.457(4) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 O13 1.235(5) . ?
C35 N15 1.320(5) . ?
C35 H35A 0.9500 . ?
N1 O8 1.211(5) . ?
N1 O7 1.232(4) . ?
N2 O5 1.214(5) . ?
N2 O6 1.216(5) . ?
N3 O3 1.213(4) . ?
N3 O4 1.225(4) . ?
N4 O1 1.211(4) . ?
N4 O2 1.223(4) . ?
N8 H8A 0.8800 . ?
N8 H8B 0.8800 . ?
N9 H9A 0.8800 . ?
N9 H9B 0.8800 . ?
N10 H10A 0.8800 . ?
N10 H10B 0.8800 . ?
N11 H11B 0.8800 . ?
N11 H11C 0.8800 . ?
N13 Ag2 2.452(3) 2_554 ?
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
N8 H8A N6 0.88 2.20 3.009(4) 152.1 4
N8 H8B O10 0.88 2.00 2.846(4) 159.8 .
N9 H9A O11 0.88 2.06 2.933(4) 174.5 .
N9 H9B N7 0.88 2.43 3.270(4) 158.7 4_454
N10 H10A O9 0.88 2.05 2.833(4) 147.7 2_554
N11 H11B O12 0.88 2.04 2.912(4) 170.4 2_554
N11 H11C O13 0.88 1.97 2.811(4) 160.2 1_554
