#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:59:59 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180487 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/56/7215677.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_7215677
loop_
_publ_author_name
'Shi, Hua-Yu'
'Dong, Yun-Bo'
'Liu, Ying-Ying'
'Ma, Jian-Fang'
_publ_section_title
;
 Multinuclear coordination polymers based on Ag⋯Ag interaction:
 syntheses, structures, and luminescence properties
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              5110
_journal_paper_doi               10.1039/c4ce00236a
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C69 H56 Ag4 N20 O14'
_chemical_formula_sum            'C69 H56 Ag4 N20 O14'
_chemical_formula_weight         1820.82
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 103.847(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.6570(8)
_cell_length_b                   14.2360(6)
_cell_length_c                   23.3580(9)
_cell_measurement_reflns_used    4346
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2401
_cell_measurement_theta_min      2.9935
_cell_volume                     6669.3(5)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0493
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            14160
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.30
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    1.242
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3640
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.979
_refine_diff_density_min         -0.582
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         7698
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0571
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0881P)²+9.3848P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1478
_refine_ls_wR_factor_ref         0.1736
_reflns_number_gt                4792
_reflns_number_total             7698
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c4ce00236a2.cif
_cod_data_source_block           crystal2
_cod_depositor_comments
'Adding full bibliography for 7215675--7215683.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7215677
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'
'-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 0.12475(2) 0.11216(3) 0.60927(2) 0.06334(18) Uani 1 1 d .
Ag2 Ag 0.16731(2) -0.07887(4) 0.59003(2) 0.0718(2) Uani 1 1 d .
C1 C -0.0053(2) 0.0966(4) 0.4923(2) 0.0476(12) Uani 1 1 d .
C2 C 0.0301(2) 0.0428(4) 0.46033(19) 0.0461(12) Uani 1 1 d .
C3 C 0.0346(2) -0.0526(4) 0.4673(2) 0.0486(13) Uani 1 1 d .
C4 C -0.0206(3) 0.1983(5) 0.4792(3) 0.0763(18) Uani 1 1 d .
H4A H -0.0258 0.2080 0.4372 0.092 Uiso 1 1 calc R
H4B H -0.0631 0.2124 0.4880 0.092 Uiso 1 1 calc R
C5 C 0.0663(3) 0.0915(6) 0.4205(3) 0.074(2) Uani 1 1 d .
H5A H 0.0623 0.0547 0.3849 0.089 Uiso 1 1 calc R
H5B H 0.0459 0.1523 0.4093 0.089 Uiso 1 1 calc R
C6 C 0.0640(3) -0.1120(5) 0.4260(3) 0.078(2) Uani 1 1 d .
H6A H 0.0470 -0.1755 0.4264 0.094 Uiso 1 1 calc R
H6B H 0.0481 -0.0878 0.3863 0.094 Uiso 1 1 calc R
C7 C 0.0335(3) 0.3564(5) 0.4959(3) 0.0685(17) Uani 1 1 d .
H7 H 0.0111 0.3846 0.4608 0.082 Uiso 1 1 calc R
C8 C 0.0768(3) 0.3987(4) 0.5412(3) 0.0709(18) Uani 1 1 d .
H8 H 0.0902 0.4612 0.5436 0.085 Uiso 1 1 calc R
C9 C 0.0970(3) 0.3294(4) 0.5831(3) 0.0581(14) Uani 1 1 d .
C10 C 0.1467(3) 0.3344(5) 0.6403(3) 0.0685(17) Uani 1 1 d .
C11 C 0.1872(4) 0.4135(6) 0.6546(4) 0.099(3) Uani 1 1 d .
H11 H 0.1819 0.4654 0.6298 0.118 Uiso 1 1 calc R
C12 C 0.2339(5) 0.4121(9) 0.7054(5) 0.119(4) Uani 1 1 d .
H12 H 0.2618 0.4638 0.7157 0.142 Uiso 1 1 calc R
C13 C 0.2416(4) 0.3368(11) 0.7424(5) 0.135(5) Uani 1 1 d .
H13 H 0.2744 0.3363 0.7776 0.162 Uiso 1 1 calc R
C14 C 0.2000(5) 0.2626(8) 0.7264(4) 0.120(3) Uani 1 1 d .
H14 H 0.2042 0.2110 0.7514 0.144 Uiso 1 1 calc R
C15 C 0.1851(3) 0.1193(5) 0.4203(3) 0.0645(16) Uani 1 1 d .
H15 H 0.1804 0.1221 0.3798 0.077 Uiso 1 1 calc R
C16 C 0.2420(3) 0.1294(5) 0.4621(3) 0.0638(16) Uani 1 1 d .
H16 H 0.2845 0.1393 0.4563 0.077 Uiso 1 1 calc R
C17 C 0.2244(2) 0.1223(4) 0.5155(2) 0.0459(11) Uani 1 1 d .
C18 C 0.2684(2) 0.1244(4) 0.5747(2) 0.0490(12) Uani 1 1 d .
C19 C 0.3356(3) 0.1418(5) 0.5824(3) 0.0690(17) Uani 1 1 d .
H19 H 0.3531 0.1537 0.5500 0.083 Uiso 1 1 calc R
C20 C 0.3761(3) 0.1414(6) 0.6376(3) 0.084(2) Uani 1 1 d .
H20 H 0.4217 0.1518 0.6433 0.101 Uiso 1 1 calc R
C21 C 0.3491(3) 0.1255(6) 0.6839(3) 0.083(2) Uani 1 1 d .
H21 H 0.3755 0.1266 0.7222 0.099 Uiso 1 1 calc R
C22 C 0.2823(3) 0.1079(5) 0.6737(3) 0.0744(18) Uani 1 1 d .
H22 H 0.2646 0.0951 0.7059 0.089 Uiso 1 1 calc R
C23 C 0.1723(3) -0.1309(4) 0.3998(3) 0.0602(15) Uani 1 1 d .
H23 H 0.1561 -0.1357 0.3592 0.072 Uiso 1 1 calc R
C24 C 0.2361(3) -0.1376(4) 0.4296(2) 0.0568(14) Uani 1 1 d .
H24 H 0.2728 -0.1475 0.4138 0.068 Uiso 1 1 calc R
C25 C 0.2363(2) -0.1268(3) 0.4884(2) 0.0449(11) Uani 1 1 d .
C26 C 0.2924(2) -0.1238(3) 0.5400(2) 0.0450(11) Uani 1 1 d .
C27 C 0.3573(2) -0.1305(4) 0.5338(3) 0.0555(13) Uani 1 1 d .
H27 H 0.3659 -0.1398 0.4970 0.067 Uiso 1 1 calc R
C28 C 0.4083(3) -0.1231(5) 0.5830(3) 0.0702(17) Uani 1 1 d .
H28 H 0.4522 -0.1260 0.5795 0.084 Uiso 1 1 calc R
C29 C 0.3955(3) -0.1117(5) 0.6366(3) 0.0746(18) Uani 1 1 d .
H29 H 0.4298 -0.1071 0.6705 0.090 Uiso 1 1 calc R
C30 C 0.3302(3) -0.1072(5) 0.6391(3) 0.0675(16) Uani 1 1 d .
H30 H 0.3210 -0.1010 0.6760 0.081 Uiso 1 1 calc R
C31 C 0.0000 -0.2368(6) 0.7500 0.061(2) Uani 1 2 d S
H31 H 0.0000 -0.3021 0.7500 0.073 Uiso 1 2 calc SR
C32 C 0.0380(3) -0.1889(4) 0.7192(2) 0.0536(13) Uani 1 1 d .
H32 H 0.0644 -0.2220 0.6989 0.064 Uiso 1 1 calc R
C33 C 0.0378(2) -0.0926(3) 0.71779(18) 0.0373(10) Uani 1 1 d .
C34 C 0.0764(2) -0.0444(4) 0.67789(19) 0.0463(12) Uani 1 1 d .
C35 C 0.0000 -0.0434(5) 0.7500 0.0369(14) Uani 1 2 d S
C36 C 0.0155(5) 0.0639(9) 0.7585(8) 0.046(5) Uani 0.50 1 d P
N1 N 0.0290(2) 0.2660(3) 0.5110(2) 0.0577(11) Uani 1 1 d .
N2 N 0.0666(2) 0.2493(3) 0.5649(2) 0.0584(11) Uani 1 1 d .
N3 N 0.1523(3) 0.2612(5) 0.6747(3) 0.0886(18) Uani 1 1 d .
N4 N 0.1363(2) 0.1045(3) 0.44865(18) 0.0496(10) Uani 1 1 d .
N5 N 0.1591(2) 0.1069(3) 0.50681(18) 0.0518(11) Uani 1 1 d .
N6 N 0.2413(2) 0.1079(3) 0.62032(19) 0.0563(11) Uani 1 1 d .
N7 N 0.1364(2) -0.1163(3) 0.4393(2) 0.0542(11) Uani 1 1 d .
N8 N 0.17428(19) -0.1148(3) 0.49471(19) 0.0503(11) Uani 1 1 d .
N9 N 0.2789(2) -0.1111(3) 0.59211(19) 0.0548(11) Uani 1 1 d .
N10 N 0.1091(4) 0.6300(5) 0.6433(3) 0.097(2) Uani 1 1 d .
O1 O 0.06545(19) 0.0386(3) 0.66652(16) 0.0609(10) Uani 1 1 d .
O2 O 0.1124(2) -0.0976(3) 0.6565(2) 0.0855(15) Uani 1 1 d .
O3 O 0.0636(5) 0.0910(9) 0.7916(5) 0.061(3) Uani 0.50 1 d P
O3' O 0.0321(7) 0.1142(9) 0.7733(5) 0.060(3) Uani 0.50 1 d P
O4 O 0.0567(4) 0.6093(6) 0.6544(4) 0.154(3) Uani 1 1 d .
O5 O 0.1608(4) 0.6344(7) 0.6814(3) 0.155(3) Uani 1 1 d .
O6 O 0.1115(3) 0.6466(7) 0.5950(3) 0.164(4) Uani 1 1 d .
O1W O 0.5445(7) -0.0415(10) 0.7200(6) 0.282(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
O1 Ag1 N6 127.08(15) . .
O1 Ag1 N2 110.19(16) . .
N6 Ag1 N2 117.48(16) . .
O1 Ag1 N3 95.9(2) . .
N6 Ag1 N3 83.23(18) . .
N2 Ag1 N3 66.78(18) . .
O1 Ag1 Ag2 83.45(11) . .
N6 Ag1 Ag2 69.93(12) . .
N2 Ag1 Ag2 146.04(11) . .
N3 Ag1 Ag2 144.88(13) . .
O2 Ag2 N8 146.14(19) . .
O2 Ag2 N9 130.49(17) . .
N8 Ag2 N9 71.93(14) . .
O2 Ag2 Ag1 76.95(13) . .
N8 Ag2 Ag1 116.21(11) . .
N9 Ag2 Ag1 120.66(12) . .
C3 C1 C2 119.1(5) 5_556 .
C3 C1 C4 118.2(5) 5_556 .
C2 C1 C4 122.2(6) . .
C3 C2 C1 120.7(5) . .
C3 C2 C5 120.2(5) . .
C1 C2 C5 118.9(6) . .
C2 C3 C1 120.1(4) . 5_556
C2 C3 C6 120.3(5) . .
C1 C3 C6 119.1(6) 5_556 .
N1 C4 C1 116.3(5) . .
N1 C4 H4A 108.2 . .
C1 C4 H4A 108.2 . .
N1 C4 H4B 108.2 . .
C1 C4 H4B 108.2 . .
H4A C4 H4B 107.4 . .
N4 C5 C2 111.7(4) . .
N4 C5 H5A 109.3 . .
C2 C5 H5A 109.3 . .
N4 C5 H5B 109.3 . .
C2 C5 H5B 109.3 . .
H5A C5 H5B 107.9 . .
N7 C6 C3 115.9(4) . .
N7 C6 H6A 108.3 . .
C3 C6 H6A 108.3 . .
N7 C6 H6B 108.3 . .
C3 C6 H6B 108.3 . .
H6A C6 H6B 107.4 . .
N1 C7 C8 107.1(6) . .
N1 C7 H7 126.4 . .
C8 C7 H7 126.4 . .
C7 C8 C9 105.6(6) . .
C7 C8 H8 127.2 . .
C9 C8 H8 127.2 . .
N2 C9 C8 110.3(5) . .
N2 C9 C10 120.4(6) . .
C8 C9 C10 129.3(6) . .
N3 C10 C11 122.5(7) . .
N3 C10 C9 117.3(6) . .
C11 C10 C9 120.2(7) . .
C12 C11 C10 117.7(10) . .
C12 C11 H11 121.2 . .
C10 C11 H11 121.2 . .
C11 C12 C13 121.6(10) . .
C11 C12 H12 119.2 . .
C13 C12 H12 119.2 . .
C14 C13 C12 117.8(9) . .
C14 C13 H13 121.1 . .
C12 C13 H13 121.1 . .
C13 C14 N3 122.1(11) . .
C13 C14 H14 118.9 . .
N3 C14 H14 118.9 . .
C16 C15 N4 106.7(5) . .
C16 C15 H15 126.6 . .
N4 C15 H15 126.6 . .
C15 C16 C17 105.9(5) . .
C15 C16 H16 127.1 . .
C17 C16 H16 127.1 . .
N5 C17 C16 110.4(5) . .
N5 C17 C18 121.6(4) . .
C16 C17 C18 127.8(5) . .
N6 C18 C19 121.8(5) . .
N6 C18 C17 117.8(4) . .
C19 C18 C17 120.3(5) . .
C20 C19 C18 119.7(6) . .
C20 C19 H19 120.1 . .
C18 C19 H19 120.1 . .
C21 C20 C19 118.8(6) . .
C21 C20 H20 120.6 . .
C19 C20 H20 120.6 . .
C20 C21 C22 119.0(6) . .
C20 C21 H21 120.5 . .
C22 C21 H21 120.5 . .
N6 C22 C21 123.7(6) . .
N6 C22 H22 118.1 . .
C21 C22 H22 118.1 . .
N7 C23 C24 107.1(5) . .
N7 C23 H23 126.4 . .
C24 C23 H23 126.4 . .
C23 C24 C25 106.1(5) . .
C23 C24 H24 126.9 . .
C25 C24 H24 126.9 . .
N8 C25 C24 110.4(5) . .
N8 C25 C26 119.9(4) . .
C24 C25 C26 129.7(5) . .
N9 C26 C27 121.8(5) . .
N9 C26 C25 117.5(4) . .
C27 C26 C25 120.6(5) . .
C28 C27 C26 118.6(5) . .
C28 C27 H27 120.7 . .
C26 C27 H27 120.7 . .
C29 C28 C27 120.4(6) . .
C29 C28 H28 119.8 . .
C27 C28 H28 119.8 . .
C28 C29 C30 117.5(6) . .
C28 C29 H29 121.3 . .
C30 C29 H29 121.3 . .
N9 C30 C29 124.1(6) . .
N9 C30 H30 117.9 . .
C29 C30 H30 117.9 . .
C32 C31 C32 120.2(8) . 2_556
C32 C31 H31 119.9 . .
C32 C31 H31 119.9 2_556 .
C31 C32 C33 120.8(5) . .
C31 C32 H32 119.6 . .
C33 C32 H32 119.6 . .
C32 C33 C35 119.2(4) . .
C32 C33 C34 117.6(4) . .
C35 C33 C34 123.1(5) . .
O1 C34 O2 126.8(5) . .
O1 C34 C33 118.1(4) . .
O2 C34 C33 114.9(5) . .
C33 C35 C33 119.8(6) 2_556 .
C33 C35 C36 115.7(7) 2_556 2_556
C33 C35 C36 123.1(7) . 2_556
C33 C35 C36 123.1(7) 2_556 .
C33 C35 C36 115.7(7) . .
C36 C35 C36 24.7(8) 2_556 .
C36 C36 O3' 119.1(15) 2_556 .
C36 C36 O3 159.3(19) 2_556 .
O3' C36 O3 40.7(12) . .
C36 C36 O3' 34.1(10) 2_556 2_556
O3' C36 O3' 86.8(18) . 2_556
O3 C36 O3' 127.3(15) . 2_556
C36 C36 C35 77.7(4) 2_556 .
O3' C36 C35 160.8(16) . .
O3 C36 C35 121.4(10) . .
O3' C36 C35 111.2(9) 2_556 .
C36 C36 O3 13.2(13) 2_556 2_556
O3' C36 O3 107.7(16) . 2_556
O3 C36 O3 148.3(17) . 2_556
O3' C36 O3 21.3(7) 2_556 2_556
C35 C36 O3 90.0(9) . 2_556
N2 N1 C7 111.0(5) . .
N2 N1 C4 122.6(5) . .
C7 N1 C4 125.3(5) . .
C9 N2 N1 106.0(5) . .
C9 N2 Ag1 114.4(4) . .
N1 N2 Ag1 132.3(3) . .
C10 N3 C14 118.2(8) . .
C10 N3 Ag1 108.4(4) . .
C14 N3 Ag1 122.9(6) . .
N5 N4 C15 111.9(4) . .
N5 N4 C5 122.6(4) . .
C15 N4 C5 125.4(5) . .
N4 N5 C17 105.0(4) . .
C22 N6 C18 116.9(5) . .
C22 N6 Ag1 120.5(4) . .
C18 N6 Ag1 121.3(3) . .
C23 N7 N8 112.2(4) . .
C23 N7 C6 125.1(5) . .
N8 N7 C6 122.4(4) . .
C25 N8 N7 104.1(4) . .
C25 N8 Ag2 114.6(3) . .
N7 N8 Ag2 140.6(3) . .
C26 N9 C30 117.5(5) . .
C26 N9 Ag2 115.6(3) . .
C30 N9 Ag2 126.5(4) . .
O6 N10 O4 120.3(9) . .
O6 N10 O5 117.7(10) . .
O4 N10 O5 122.0(9) . .
C34 O1 Ag1 118.4(3) . .
C34 O2 Ag2 133.1(4) . .
O3' O3 C36 45.2(14) . .
O3' O3 C36 38.0(14) . 2_556
C36 O3 C36 7.5(7) . 2_556
O3 O3' C36 94(2) . .
O3 O3' C36 120.7(19) . 2_556
C36 O3' C36 26.8(10) . 2_556
O3 O3' O3' 153.3(18) . 2_556
C36 O3' O3' 59.6(12) . 2_556
C36 O3' O3' 33.6(8) 2_556 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O1 2.274(3) .
Ag1 N6 2.359(4) .
Ag1 N2 2.395(5) .
Ag1 N3 2.598(6) .
Ag1 Ag2 2.9256(7) .
Ag2 O2 2.147(4) .
Ag2 N8 2.322(4) .
Ag2 N9 2.339(4) .
C1 C3 1.386(8) 5_556
C1 C2 1.393(7) .
C1 C4 1.497(8) .
C2 C3 1.368(8) .
C2 C5 1.497(7) .
C3 C1 1.386(8) 5_556
C3 C6 1.514(7) .
C4 N1 1.472(8) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 N4 1.449(7) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 N7 1.455(7) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 N1 1.344(8) .
C7 C8 1.352(9) .
C7 H7 0.9300 .
C8 C9 1.382(9) .
C8 H8 0.9300 .
C9 N2 1.323(7) .
C9 C10 1.479(9) .
C10 N3 1.305(9) .
C10 C11 1.394(10) .
C11 C12 1.338(14) .
C11 H11 0.9300 .
C12 C13 1.362(16) .
C12 H12 0.9300 .
C13 C14 1.357(15) .
C13 H13 0.9300 .
C14 N3 1.363(9) .
C14 H14 0.9300 .
C15 C16 1.344(8) .
C15 N4 1.349(6) .
C15 H15 0.9300 .
C16 C17 1.384(7) .
C16 H16 0.9300 .
C17 N5 1.334(6) .
C17 C18 1.462(7) .
C18 N6 1.338(7) .
C18 C19 1.379(7) .
C19 C20 1.358(9) .
C19 H19 0.9300 .
C20 C21 1.351(10) .
C20 H20 0.9300 .
C21 C22 1.365(9) .
C21 H21 0.9300 .
C22 N6 1.329(7) .
C22 H22 0.9300 .
C23 N7 1.330(6) .
C23 C24 1.337(8) .
C23 H23 0.9300 .
C24 C25 1.381(7) .
C24 H24 0.9300 .
C25 N8 1.336(6) .
C25 C26 1.460(7) .
C26 N9 1.325(6) .
C26 C27 1.386(7) .
C27 C28 1.363(8) .
C27 H27 0.9300 .
C28 C29 1.350(9) .
C28 H28 0.9300 .
C29 C30 1.366(9) .
C29 H29 0.9300 .
C30 N9 1.333(8) .
C30 H30 0.9300 .
C31 C32 1.369(7) .
C31 C32 1.369(7) 2_556
C31 H31 0.9300 .
C32 C33 1.371(7) .
C32 H32 0.9300 .
C33 C35 1.395(6) .
C33 C34 1.527(6) .
C34 O1 1.220(6) .
C34 O2 1.246(6) .
C35 C33 1.395(6) 2_556
C35 C36 1.565(15) 2_556
C35 C36 1.565(15) .
C36 C36 0.67(2) 2_556
C36 O3' 0.831(13) .
C36 O3 1.169(18) .
C36 O3' 1.295(18) 2_556
C36 O3 1.809(13) 2_556
N1 N2 1.332(6) .
N4 N5 1.327(6) .
N7 N8 1.344(6) .
N10 O6 1.164(8) .
N10 O4 1.208(9) .
N10 O5 1.218(9) .
O3 O3' 0.764(13) .
O3 C36 1.809(13) 2_556
O3' C36 1.295(18) 2_556
O3' O3' 1.50(3) 2_556
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
O1 Ag1 Ag2 O2 -7.15(18) . .
N6 Ag1 Ag2 O2 126.3(2) . .
N2 Ag1 Ag2 O2 -124.0(3) . .
N3 Ag1 Ag2 O2 83.9(3) . .
O1 Ag1 Ag2 N8 139.58(15) . .
N6 Ag1 Ag2 N8 -86.95(16) . .
N2 Ag1 Ag2 N8 22.8(2) . .
N3 Ag1 Ag2 N8 -129.4(3) . .
O1 Ag1 Ag2 N9 -136.74(16) . .
N6 Ag1 Ag2 N9 -3.27(16) . .
N2 Ag1 Ag2 N9 106.4(2) . .
N3 Ag1 Ag2 N9 -45.7(3) . .
C3 C1 C2 C3 1.8(8) 5_556 .
C4 C1 C2 C3 -170.1(5) . .
C3 C1 C2 C5 -174.9(4) 5_556 .
C4 C1 C2 C5 13.1(7) . .
C1 C2 C3 C1 -1.9(8) . 5_556
C5 C2 C3 C1 174.9(4) . 5_556
C1 C2 C3 C6 170.7(4) . .
C5 C2 C3 C6 -12.6(7) . .
C3 C1 C4 N1 97.8(7) 5_556 .
C2 C1 C4 N1 -90.2(7) . .
C3 C2 C5 N4 -79.6(7) . .
C1 C2 C5 N4 97.2(6) . .
C2 C3 C6 N7 81.4(7) . .
C1 C3 C6 N7 -106.0(7) 5_556 .
N1 C7 C8 C9 -0.2(7) . .
C7 C8 C9 N2 -1.2(7) . .
C7 C8 C9 C10 176.5(6) . .
N2 C9 C10 N3 -8.9(8) . .
C8 C9 C10 N3 173.7(6) . .
N2 C9 C10 C11 168.5(6) . .
C8 C9 C10 C11 -8.9(9) . .
N3 C10 C11 C12 1.1(11) . .
C9 C10 C11 C12 -176.2(7) . .
C10 C11 C12 C13 -0.7(14) . .
C11 C12 C13 C14 -0.3(16) . .
C12 C13 C14 N3 1.0(14) . .
N4 C15 C16 C17 -1.4(7) . .
C15 C16 C17 N5 0.9(7) . .
C15 C16 C17 C18 177.2(6) . .
N5 C17 C18 N6 1.7(8) . .
C16 C17 C18 N6 -174.2(6) . .
N5 C17 C18 C19 -179.1(5) . .
C16 C17 C18 C19 5.0(9) . .
N6 C18 C19 C20 0.7(10) . .
C17 C18 C19 C20 -178.5(6) . .
C18 C19 C20 C21 -1.2(12) . .
C19 C20 C21 C22 1.8(12) . .
C20 C21 C22 N6 -2.0(12) . .
N7 C23 C24 C25 0.3(7) . .
C23 C24 C25 N8 0.6(6) . .
C23 C24 C25 C26 -177.1(5) . .
N8 C25 C26 N9 1.4(7) . .
C24 C25 C26 N9 178.9(5) . .
N8 C25 C26 C27 -176.1(5) . .
C24 C25 C26 C27 1.4(8) . .
N9 C26 C27 C28 -0.4(8) . .
C25 C26 C27 C28 177.1(5) . .
C26 C27 C28 C29 1.5(10) . .
C27 C28 C29 C30 -0.5(10) . .
C28 C29 C30 N9 -1.6(11) . .
C32 C31 C32 C33 -1.1(3) 2_556 .
C31 C32 C33 C35 2.2(7) . .
C31 C32 C33 C34 -174.5(4) . .
C32 C33 C34 O1 164.8(5) . .
C35 C33 C34 O1 -11.8(6) . .
C32 C33 C34 O2 -9.6(7) . .
C35 C33 C34 O2 173.8(4) . .
C32 C33 C35 C33 -1.1(3) . 2_556
C34 C33 C35 C33 175.4(5) . 2_556
C32 C33 C35 C36 -167.1(6) . 2_556
C34 C33 C35 C36 9.4(7) . 2_556
C32 C33 C35 C36 165.8(7) . .
C34 C33 C35 C36 -17.6(7) . .
C33 C35 C36 C36 -80(3) 2_556 2_556
C33 C35 C36 C36 114(3) . 2_556
C33 C35 C36 O3' 73(6) 2_556 .
C33 C35 C36 O3' -94(6) . .
C36 C35 C36 O3' 152(9) 2_556 .
C33 C35 C36 O3 91.7(16) 2_556 .
C33 C35 C36 O3 -74.8(18) . .
C36 C35 C36 O3 171(5) 2_556 .
C33 C35 C36 O3' -85.7(15) 2_556 2_556
C33 C35 C36 O3' 107.8(12) . 2_556
C36 C35 C36 O3' -6(2) 2_556 2_556
C33 C35 C36 O3 -84.4(9) 2_556 2_556
C33 C35 C36 O3 109.1(6) . 2_556
C36 C35 C36 O3 -5(3) 2_556 2_556
C8 C7 N1 N2 1.5(7) . .
C8 C7 N1 C4 169.3(6) . .
C1 C4 N1 N2 -30.6(9) . .
C1 C4 N1 C7 162.9(6) . .
C8 C9 N2 N1 2.1(6) . .
C10 C9 N2 N1 -175.8(5) . .
C8 C9 N2 Ag1 156.0(4) . .
C10 C9 N2 Ag1 -21.9(6) . .
C7 N1 N2 C9 -2.2(6) . .
C4 N1 N2 C9 -170.4(5) . .
C7 N1 N2 Ag1 -149.4(4) . .
C4 N1 N2 Ag1 42.4(7) . .
O1 Ag1 N2 C9 114.0(4) . .
N6 Ag1 N2 C9 -42.3(4) . .
N3 Ag1 N2 C9 26.1(4) . .
Ag2 Ag1 N2 C9 -136.9(3) . .
O1 Ag1 N2 N1 -100.9(5) . .
N6 Ag1 N2 N1 102.8(5) . .
N3 Ag1 N2 N1 171.3(5) . .
Ag2 Ag1 N2 N1 8.2(6) . .
C11 C10 N3 C14 -0.4(10) . .
C9 C10 N3 C14 176.9(6) . .
C11 C10 N3 Ag1 -146.3(5) . .
C9 C10 N3 Ag1 31.0(6) . .
C13 C14 N3 C10 -0.6(12) . .
C13 C14 N3 Ag1 140.0(7) . .
O1 Ag1 N3 C10 -139.4(4) . .
N6 Ag1 N3 C10 93.8(5) . .
N2 Ag1 N3 C10 -30.0(4) . .
Ag2 Ag1 N3 C10 133.5(4) . .
O1 Ag1 N3 C14 76.6(7) . .
N6 Ag1 N3 C14 -50.1(7) . .
N2 Ag1 N3 C14 -173.9(8) . .
Ag2 Ag1 N3 C14 -10.4(9) . .
C16 C15 N4 N5 1.5(7) . .
C16 C15 N4 C5 178.9(6) . .
C2 C5 N4 N5 -23.8(9) . .
C2 C5 N4 C15 159.1(6) . .
C15 N4 N5 C17 -0.9(6) . .
C5 N4 N5 C17 -178.4(5) . .
C16 C17 N5 N4 0.0(6) . .
C18 C17 N5 N4 -176.5(5) . .
C21 C22 N6 C18 1.5(10) . .
C21 C22 N6 Ag1 -165.5(6) . .
C19 C18 N6 C22 -0.8(9) . .
C17 C18 N6 C22 178.4(5) . .
C19 C18 N6 Ag1 166.1(5) . .
C17 C18 N6 Ag1 -14.7(6) . .
O1 Ag1 N6 C22 -37.5(6) . .
N2 Ag1 N6 C22 114.2(5) . .
N3 Ag1 N6 C22 54.8(5) . .
Ag2 Ag1 N6 C22 -102.1(5) . .
O1 Ag1 N6 C18 156.1(4) . .
N2 Ag1 N6 C18 -52.2(5) . .
N3 Ag1 N6 C18 -111.6(4) . .
Ag2 Ag1 N6 C18 91.4(4) . .
C24 C23 N7 N8 -1.2(7) . .
C24 C23 N7 C6 -175.1(6) . .
C3 C6 N7 C23 -152.4(6) . .
C3 C6 N7 N8 34.3(9) . .
C24 C25 N8 N7 -1.3(6) . .
C26 C25 N8 N7 176.7(4) . .
C24 C25 N8 Ag2 -173.4(4) . .
C26 C25 N8 Ag2 4.5(6) . .
C23 N7 N8 C25 1.5(6) . .
C6 N7 N8 C25 175.6(5) . .
C23 N7 N8 Ag2 170.3(4) . .
C6 N7 N8 Ag2 -15.6(9) . .
O2 Ag2 N8 C25 -143.2(4) . .
N9 Ag2 N8 C25 -5.6(3) . .
Ag1 Ag2 N8 C25 110.4(3) . .
O2 Ag2 N8 N7 48.8(7) . .
N9 Ag2 N8 N7 -173.6(6) . .
Ag1 Ag2 N8 N7 -57.6(6) . .
C27 C26 N9 C30 -1.7(8) . .
C25 C26 N9 C30 -179.2(5) . .
C27 C26 N9 Ag2 170.9(4) . .
C25 C26 N9 Ag2 -6.6(6) . .
C29 C30 N9 C26 2.7(9) . .
C29 C30 N9 Ag2 -168.9(5) . .
O2 Ag2 N9 C26 156.9(4) . .
N8 Ag2 N9 C26 6.4(4) . .
Ag1 Ag2 N9 C26 -103.8(4) . .
O2 Ag2 N9 C30 -31.3(6) . .
N8 Ag2 N9 C30 178.3(5) . .
Ag1 Ag2 N9 C30 68.0(5) . .
O2 C34 O1 Ag1 -8.1(8) . .
C33 C34 O1 Ag1 178.3(3) . .
N6 Ag1 O1 C34 -48.2(4) . .
N2 Ag1 O1 C34 158.4(4) . .
N3 Ag1 O1 C34 -134.2(4) . .
Ag2 Ag1 O1 C34 10.4(4) . .
O1 C34 O2 Ag2 -3.3(10) . .
C33 C34 O2 Ag2 170.5(4) . .
N8 Ag2 O2 C34 -108.8(6) . .
N9 Ag2 O2 C34 128.5(5) . .
Ag1 Ag2 O2 C34 9.2(6) . .
C36 C36 O3 O3' -15(11) 2_556 .
O3' C36 O3 O3' 6(3) 2_556 .
C35 C36 O3 O3' -171(3) . .
O3 C36 O3 O3' 2(3) 2_556 .
O3' C36 O3 C36 15(11) . 2_556
O3' C36 O3 C36 21(9) 2_556 2_556
C35 C36 O3 C36 -155(12) . 2_556
O3 C36 O3 C36 17(8) 2_556 2_556
C36 O3 O3' C36 -3(2) 2_556 .
C36 O3 O3' C36 3(2) . 2_556
C36 O3 O3' O3' -10(4) . 2_556
C36 O3 O3' O3' -13(4) 2_556 2_556
C36 C36 O3' O3 174(5) 2_556 .
O3' C36 O3' O3 -175(2) 2_556 .
C35 C36 O3' O3 25(7) . .
O3 C36 O3' O3 -178.9(14) 2_556 .
O3 C36 O3' C36 -174(5) . 2_556
O3' C36 O3' C36 11(4) 2_556 2_556
C35 C36 O3' C36 -149(10) . 2_556
O3 C36 O3' C36 7(3) 2_556 2_556
C36 C36 O3' O3' -11(4) 2_556 2_556
O3 C36 O3' O3' 175(2) . 2_556
C35 C36 O3' O3' -160(7) . 2_556
O3 C36 O3' O3' -4.0(12) 2_556 2_556
