#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:02:21 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179649 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/02/4510299.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_4510299
loop_
_publ_author_name
'Kim, Euni'
'Lee, Haeri'
'Noh, Tae Hwan'
'Jung, Ok-Sang'
_publ_section_title
;
 Suprachannels via a Molecular Array of 2D Networks: Solvent Effects,
 Anion Exchange, and Physicochemical Properties of Silver(I) Complexes
 BearingN,N′,N″-Tris(2-pyridinylethyl)-1,3,5-benzenetricarboxamide
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1888
_journal_paper_doi               10.1021/cg500025k
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'C62 H72 Ag3 N15 O19'
_chemical_formula_weight         1654.96
_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                 94.5260(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.1583(2)
_cell_length_b                   27.6117(3)
_cell_length_c                   9.64310(10)
_cell_measurement_reflns_used    9896
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.51
_cell_measurement_theta_min      2.24
_cell_volume                     3758.07(8)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker APEX2'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Breeze CCD'
_diffrn_measurement_method       'φ and ω 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  0.0431
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            61495
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    0.849
_exptl_absorpt_correction_T_max  0.8832
_exptl_absorpt_correction_T_min  0.7117
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1684
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.305
_refine_diff_density_min         -1.010
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         7790
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.1300
_refine_ls_R_factor_gt           0.0811
_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)+(0.1886P)²+1.1870P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2432
_refine_ls_wR_factor_ref         0.2846
_reflns_number_gt                4550
_reflns_number_total             7790
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg500025k_si_002.cif
_cod_data_source_block           976465
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4510299
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
Ag1 Ag 0.50830(4) 0.61709(2) 0.24243(6) 0.0698(3) Uani 1 1 d . . .
Ag2 Ag -0.01993(14) 0.50513(13) 0.5022(4) 0.0930(7) Uani 0.50 1 d P . .
O1 O 0.4705(4) 0.51935(16) 0.3141(6) 0.0742(14) Uani 1 1 d . A .
O2 O 0.2033(4) 0.45594(19) 0.5414(6) 0.0816(15) Uani 1 1 d . . .
O3 O 0.3687(4) 0.26632(16) 0.2822(6) 0.0866(16) Uani 1 1 d . . .
N1 N 0.6281(5) 0.61895(18) 0.1126(7) 0.0646(16) Uani 1 1 d . A .
N2 N -0.0802(5) 0.4538(2) 0.6325(6) 0.0718(16) Uani 1 1 d . . .
N3 N 0.5953(5) 0.13659(19) 0.1109(7) 0.0649(16) Uani 1 1 d . . .
N4 N 0.5799(4) 0.47067(18) 0.2339(6) 0.0610(15) Uani 1 1 d . A .
H4A H 0.5978 0.4409 0.2168 0.073 Uiso 1 1 calc R . .
N5 N 0.1949(5) 0.3783(3) 0.5972(8) 0.086(2) Uani 1 1 d . . .
H5A H 0.2199 0.3492 0.5935 0.103 Uiso 1 1 calc R . .
N6 N 0.4871(6) 0.2926(2) 0.1705(11) 0.117(3) Uani 1 1 d . . .
H6C H 0.5232 0.3176 0.1549 0.140 Uiso 1 1 calc R . .
C1 C 0.6731(7) 0.6620(3) 0.0979(10) 0.086(2) Uani 1 1 d . . .
H1 H 0.6513 0.6897 0.1447 0.103 Uiso 1 1 calc R A .
C2 C 0.7483(7) 0.6672(3) 0.0188(11) 0.093(3) Uani 1 1 d . A .
H2 H 0.7764 0.6981 0.0093 0.112 Uiso 1 1 calc R . .
C3 C 0.7828(6) 0.6286(3) -0.0458(10) 0.079(2) Uani 1 1 d . . .
H3 H 0.8373 0.6314 -0.0967 0.094 Uiso 1 1 calc R A .
C4 C 0.7363(5) 0.5849(3) -0.0356(8) 0.0653(18) Uani 1 1 d . A .
H4 H 0.7568 0.5573 -0.0840 0.078 Uiso 1 1 calc R . .
C5 C 0.6594(5) 0.5811(2) 0.0453(7) 0.0530(15) Uani 1 1 d . . .
C6 C 0.6090(5) 0.5337(2) 0.0625(7) 0.0599(16) Uani 1 1 d . A .
H6A H 0.6232 0.5113 -0.0134 0.072 Uiso 1 1 calc R . .
H6B H 0.5397 0.5392 0.0563 0.072 Uiso 1 1 calc R . .
C7 C 0.6400(5) 0.5110(2) 0.2010(8) 0.0630(17) Uani 1 1 d . . .
H7A H 0.7062 0.4996 0.1995 0.076 Uiso 1 1 calc R A .
H7B H 0.6385 0.5359 0.2748 0.076 Uiso 1 1 calc R . .
C8 C 0.4987(4) 0.4783(2) 0.2893(7) 0.0497(14) Uani 1 1 d . . .
C9 C -0.1521(7) 0.4709(4) 0.6989(11) 0.094(3) Uani 1 1 d . . .
H9 H -0.1677 0.5042 0.6877 0.112 Uiso 1 1 calc R . .
C10 C -0.2050(6) 0.4434(4) 0.7823(10) 0.094(3) Uani 1 1 d . . .
H10 H -0.2571 0.4571 0.8247 0.112 Uiso 1 1 calc R . .
C11 C -0.1808(7) 0.3957(5) 0.8031(11) 0.099(3) Uani 1 1 d . . .
H11A H -0.2140 0.3761 0.8640 0.119 Uiso 1 1 calc R . .
C12 C -0.1082(7) 0.3770(3) 0.7345(11) 0.089(3) Uani 1 1 d . . .
H12A H -0.0915 0.3439 0.7466 0.106 Uiso 1 1 calc R . .
C13 C -0.0596(5) 0.4052(3) 0.6492(8) 0.0658(18) Uani 1 1 d . . .
C14 C 0.0207(6) 0.3862(3) 0.5757(9) 0.078(2) Uani 1 1 d . . .
H14A H 0.0307 0.4069 0.4942 0.094 Uiso 1 1 calc R . .
H14B H 0.0064 0.3530 0.5421 0.094 Uiso 1 1 calc R . .
C15 C 0.1116(6) 0.3859(3) 0.6763(10) 0.087(3) Uani 1 1 d . . .
H15A H 0.1176 0.4171 0.7268 0.104 Uiso 1 1 calc R . .
H15B H 0.1075 0.3596 0.7456 0.104 Uiso 1 1 calc R . .
C16 C 0.2321(5) 0.4138(3) 0.5327(7) 0.0615(17) Uani 1 1 d . . .
C17 C 0.6372(5) 0.1019(3) 0.0411(8) 0.0601(17) Uani 1 1 d . . .
H17 H 0.6170 0.0694 0.0524 0.072 Uiso 1 1 calc R . .
C18 C 0.7063(6) 0.1101(3) -0.0441(9) 0.072(2) Uani 1 1 d . . .
H18 H 0.7340 0.0839 -0.0903 0.086 Uiso 1 1 calc R . .
C19 C 0.7356(6) 0.1557(3) -0.0632(10) 0.092(3) Uani 1 1 d . . .
H19 H 0.7830 0.1625 -0.1249 0.111 Uiso 1 1 calc R . .
C20 C 0.6950(7) 0.1929(3) 0.0096(12) 0.111(4) Uani 1 1 d . . .
H20 H 0.7135 0.2255 -0.0039 0.134 Uiso 1 1 calc R . .
C21 C 0.6280(7) 0.1823(3) 0.1013(10) 0.086(3) Uani 1 1 d . . .
C22 C 0.5883(7) 0.2226(3) 0.1879(10) 0.094(3) Uani 1 1 d . . .
H22A H 0.5649 0.2090 0.2738 0.113 Uiso 1 1 calc R . .
H22B H 0.6383 0.2467 0.2145 0.113 Uiso 1 1 calc R . .
C23 C 0.5084(7) 0.2462(3) 0.1007(10) 0.090(2) Uani 1 1 d . . .
H23A H 0.5273 0.2524 0.0056 0.108 Uiso 1 1 calc R . .
H23B H 0.4519 0.2249 0.0940 0.108 Uiso 1 1 calc R . .
C24 C 0.4188(6) 0.2994(2) 0.2534(8) 0.070(2) Uani 1 1 d . . .
C25 C 0.4413(4) 0.4348(2) 0.3234(6) 0.0476(14) Uani 1 1 d . A .
C26 C 0.3659(4) 0.4415(2) 0.4066(6) 0.0496(14) Uani 1 1 d . . .
H26 H 0.3513 0.4731 0.4371 0.059 Uiso 1 1 calc R A .
C27 C 0.3126(5) 0.4029(3) 0.4446(7) 0.0550(15) Uani 1 1 d . A .
C28 C 0.3323(5) 0.3560(2) 0.3954(8) 0.0593(17) Uani 1 1 d . . .
H28 H 0.2960 0.3291 0.4219 0.071 Uiso 1 1 calc R A .
C29 C 0.4042(4) 0.3494(2) 0.3091(7) 0.0520(15) Uani 1 1 d . A .
C30 C 0.4600(5) 0.3886(2) 0.2740(7) 0.0542(16) Uani 1 1 d . . .
H30 H 0.5107 0.3837 0.2165 0.065 Uiso 1 1 calc R A .
N7 N 0.3604(7) 0.6301(3) -0.0323(6) 0.130(5) Uani 1 1 d D . .
O4 O 0.4553(10) 0.6399(16) 0.010(4) 0.30(2) Uani 0.50 1 d PDU A 1
O5 O 0.2857(8) 0.6051(4) -0.1040(13) 0.092(4) Uani 0.50 1 d PD A 1
O6 O 0.3054(10) 0.6721(4) -0.0262(19) 0.118(5) Uani 0.50 1 d PDU A 1
O4' O 0.3770(8) 0.5896(5) 0.0321(13) 0.089(3) Uani 0.50 1 d PD A 2
O5' O 0.3351(9) 0.6290(4) -0.1753(7) 0.090(4) Uani 0.50 1 d PD A 2
O6' O 0.3547(13) 0.6734(4) 0.0420(15) 0.122(5) Uani 0.50 1 d PDU A 2
N8 N -0.0304(13) 0.4450(7) 0.1332(17) 0.164(10) Uani 0.50 1 d PD . .
O7 O 0.0338(10) 0.4225(6) 0.2305(14) 0.131(6) Uani 0.50 1 d PD . .
O8 O -0.1054(9) 0.4644(8) 0.202(3) 0.28(2) Uani 0.50 1 d PD . .
O9 O -0.008(4) 0.444(2) -0.0054(16) 0.90(12) Uani 0.50 1 d PDU . .
O11 O 0.7878(6) 0.7224(2) 0.3758(9) 0.131(3) Uani 1 1 d . . .
H11B H 0.7440 0.7044 0.3995 0.157 Uiso 1 1 d R . .
H11C H 0.7655 0.7429 0.3178 0.157 Uiso 1 1 d R . .
O12 O -0.087(4) 0.311(3) 0.119(7) 0.48(4) Uani 0.50 1 d PU . .
H12B H -0.1236 0.2892 0.0837 0.574 Uiso 0.50 1 d PR . .
C12C H -0.0313 0.3003 0.1260 0.574 Uiso 0.50 1 d PR . .
O13 O 0.044(2) 0.2299(13) 0.259(4) 0.31(2) Uani 0.50 1 d PD . .
H13 H 0.0223 0.2402 0.1806 0.370 Uiso 0.50 1 calc PR . .
C31 C 0.048(4) 0.2662(16) 0.351(6) 0.35(4) Uani 0.50 1 d PDU . .
H31A H 0.0243 0.2972 0.3093 0.422 Uiso 0.50 1 calc PR . .
H31B H 0.1114 0.2706 0.3986 0.422 Uiso 0.50 1 calc PR . .
C32 C -0.024(5) 0.243(3) 0.446(6) 0.49(6) Uani 0.50 1 d PDU . .
H32A H 0.0107 0.2271 0.5261 0.583 Uiso 0.50 1 calc PR . .
H32B H -0.0625 0.2184 0.3934 0.583 Uiso 0.50 1 calc PR . .
H32C H -0.0658 0.2678 0.4797 0.583 Uiso 0.50 1 calc PR . .
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
N3 Ag1 N1 162.9(2) 2_655 .
N3 Ag1 O4 111.4(8) 2_655 .
N1 Ag1 O4 70.0(6) . .
Ag2 Ag2 N2 98.2(6) 3_566 .
Ag2 Ag2 N2 65.9(6) 3_566 3_566
N2 Ag2 N2 164.10(10) . 3_566
C5 N1 C1 117.4(7) . .
C5 N1 Ag1 124.5(4) . .
C1 N1 Ag1 118.0(5) . .
C9 N2 C13 116.8(7) . .
C9 N2 Ag2 114.1(6) . .
C13 N2 Ag2 128.9(5) . .
C9 N2 Ag2 128.8(6) . 3_566
C13 N2 Ag2 114.3(5) . 3_566
Ag2 N2 Ag2 15.90(10) . 3_566
C17 N3 C21 117.9(7) . .
C17 N3 Ag1 119.8(5) . 2_645
C21 N3 Ag1 121.8(5) . 2_645
C8 N4 C7 120.6(5) . .
C8 N4 H4A 119.7 . .
C7 N4 H4A 119.7 . .
C16 N5 C15 121.0(7) . .
C16 N5 H5A 119.5 . .
C15 N5 H5A 119.5 . .
C24 N6 C23 125.6(7) . .
C24 N6 H6C 117.2 . .
C23 N6 H6C 117.2 . .
N1 C1 C2 122.7(8) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C3 C2 C1 120.3(7) . .
C3 C2 H2 119.9 . .
C1 C2 H2 119.9 . .
C2 C3 C4 117.8(8) . .
C2 C3 H3 121.1 . .
C4 C3 H3 121.1 . .
C3 C4 C5 120.1(7) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
N1 C5 C4 121.5(6) . .
N1 C5 C6 116.9(6) . .
C4 C5 C6 121.6(6) . .
C5 C6 C7 110.5(5) . .
C5 C6 H6A 109.6 . .
C7 C6 H6A 109.6 . .
C5 C6 H6B 109.6 . .
C7 C6 H6B 109.6 . .
H6A C6 H6B 108.1 . .
N4 C7 C6 112.1(6) . .
N4 C7 H7A 109.2 . .
C6 C7 H7A 109.2 . .
N4 C7 H7B 109.2 . .
C6 C7 H7B 109.2 . .
H7A C7 H7B 107.9 . .
O1 C8 N4 122.1(6) . .
O1 C8 C25 120.3(6) . .
N4 C8 C25 117.6(5) . .
N2 C9 C10 124.1(9) . .
N2 C9 H9 117.9 . .
C10 C9 H9 117.9 . .
C9 C10 C11 118.4(8) . .
C9 C10 H10 120.8 . .
C11 C10 H10 120.8 . .
C12 C11 C10 118.7(9) . .
C12 C11 H11A 120.6 . .
C10 C11 H11A 120.6 . .
C13 C12 C11 120.8(9) . .
C13 C12 H12A 119.6 . .
C11 C12 H12A 119.6 . .
C12 C13 N2 121.0(8) . .
C12 C13 C14 122.1(8) . .
N2 C13 C14 116.8(7) . .
C13 C14 C15 109.5(7) . .
C13 C14 H14A 109.8 . .
C15 C14 H14A 109.8 . .
C13 C14 H14B 109.8 . .
C15 C14 H14B 109.8 . .
H14A C14 H14B 108.2 . .
N5 C15 C14 109.7(7) . .
N5 C15 H15A 109.7 . .
C14 C15 H15A 109.7 . .
N5 C15 H15B 109.7 . .
C14 C15 H15B 109.7 . .
H15A C15 H15B 108.2 . .
O2 C16 N5 122.1(7) . .
O2 C16 C27 119.6(7) . .
N5 C16 C27 118.3(6) . .
N3 C17 C18 124.0(7) . .
N3 C17 H17 118.0 . .
C18 C17 H17 118.0 . .
C19 C18 C17 119.3(7) . .
C19 C18 H18 120.4 . .
C17 C18 H18 120.4 . .
C18 C19 C20 118.5(8) . .
C18 C19 H19 120.7 . .
C20 C19 H19 120.7 . .
C21 C20 C19 119.9(8) . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
N3 C21 C20 120.0(7) . .
N3 C21 C22 120.1(7) . .
C20 C21 C22 119.9(7) . .
C23 C22 C21 107.7(8) . .
C23 C22 H22A 110.2 . .
C21 C22 H22A 110.2 . .
C23 C22 H22B 110.2 . .
C21 C22 H22B 110.2 . .
H22A C22 H22B 108.5 . .
N6 C23 C22 106.9(8) . .
N6 C23 H23A 110.3 . .
C22 C23 H23A 110.3 . .
N6 C23 H23B 110.3 . .
C22 C23 H23B 110.3 . .
H23A C23 H23B 108.6 . .
O3 C24 N6 120.5(7) . .
O3 C24 C29 121.0(6) . .
N6 C24 C29 118.4(6) . .
C30 C25 C26 119.4(6) . .
C30 C25 C8 122.5(6) . .
C26 C25 C8 118.1(5) . .
C27 C26 C25 120.8(5) . .
C27 C26 H26 119.6 . .
C25 C26 H26 119.6 . .
C26 C27 C28 119.6(6) . .
C26 C27 C16 116.9(6) . .
C28 C27 C16 123.5(7) . .
C29 C28 C27 119.9(6) . .
C29 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
C28 C29 C30 120.3(6) . .
C28 C29 C24 117.8(6) . .
C30 C29 C24 121.9(6) . .
C25 C30 C29 120.0(6) . .
C25 C30 H30 120.0 . .
C29 C30 H30 120.0 . .
O4' N7 O5' 118.6(9) . .
O4' N7 O6' 120.6(10) . .
O5' N7 O6' 120.1(10) . .
O4' N7 O4 83.9(18) . .
O5' N7 O4 117.2(17) . .
O6' N7 O4 77.2(19) . .
O4' N7 O5 85.0(9) . .
O5' N7 O5 51.5(7) . .
O6' N7 O5 127.0(11) . .
O4 N7 O5 156(2) . .
O4' N7 O6 141.0(10) . .
O5' N7 O6 87.6(10) . .
O6' N7 O6 38.4(7) . .
O4 N7 O6 111(2) . .
O5 N7 O6 91.6(10) . .
N7 O4 Ag1 116.4(19) . .
O8 N8 O7 109.3(13) . .
O8 N8 O9 134.4(14) . .
O7 N8 O9 116.3(5) . .
H11B O11 H11C 109.5 . .
H12B O12 C12C 109.5 . .
C31 O13 H13 109.5 . .
O13 C31 C32 95.1(4) . .
O13 C31 H31A 112.7 . .
C32 C31 H31A 112.7 . .
O13 C31 H31B 112.7 . .
C32 C31 H31B 112.7 . .
H31A C31 H31B 110.2 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N3 2.183(6) 2_655
Ag1 N1 2.187(7) .
Ag1 O4 2.39(3) .
Ag2 Ag2 0.636(3) 3_566
Ag2 N2 2.118(7) .
Ag2 N2 2.296(7) 3_566
O1 C8 1.231(7) .
O2 C16 1.238(8) .
O3 C24 1.201(8) .
N1 C5 1.325(8) .
N1 C1 1.362(9) .
N2 C9 1.330(11) .
N2 C13 1.381(10) .
N2 Ag2 2.296(7) 3_566
N3 C17 1.337(9) .
N3 C21 1.350(9) .
N3 Ag1 2.183(6) 2_645
N4 C8 1.323(8) .
N4 C7 1.452(8) .
N4 H4A 0.8800 .
N5 C16 1.295(9) .
N5 C15 1.470(11) .
N5 H5A 0.8800 .
N6 C24 1.316(10) .
N6 C23 1.489(10) .
N6 H6C 0.8800 .
C1 C2 1.365(13) .
C1 H1 0.9500 .
C2 C3 1.344(12) .
C2 H2 0.9500 .
C3 C4 1.384(11) .
C3 H3 0.9500 .
C4 C5 1.392(10) .
C4 H4 0.9500 .
C5 C6 1.507(9) .
C6 C7 1.509(10) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C25 1.500(8) .
C9 C10 1.370(14) .
C9 H9 0.9500 .
C10 C11 1.372(14) .
C10 H10 0.9500 .
C11 C12 1.368(14) .
C11 H11A 0.9500 .
C12 C13 1.358(11) .
C12 H12A 0.9500 .
C13 C14 1.482(11) .
C14 C15 1.549(13) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C27 1.505(10) .
C17 C18 1.346(11) .
C17 H17 0.9500 .
C18 C19 1.344(12) .
C18 H18 0.9500 .
C19 C20 1.393(13) .
C19 H19 0.9500 .
C20 C21 1.378(12) .
C20 H20 0.9500 .
C21 C22 1.525(12) .
C22 C23 1.503(14) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C29 1.504(9) .
C25 C30 1.396(8) .
C25 C26 1.398(9) .
C26 C27 1.372(9) .
C26 H26 0.9500 .
C27 C28 1.414(10) .
C28 C29 1.377(9) .
C28 H28 0.9500 .
C29 C30 1.396(9) .
C30 H30 0.9500 .
N7 O4' 1.292(15) .
N7 O5' 1.3978(16) .
N7 O6' 1.3993(11) .
N7 O4 1.3996(16) .
N7 O5 1.3998(16) .
N7 O6 1.401(2) .
N8 O8 1.400(2) .
N8 O7 1.400(2) .
N8 O9 1.401(2) .
O11 H11B 0.8398 .
O11 H11C 0.8403 .
O12 H12B 0.8399 .
O12 C12C 0.8400 .
O13 C31 1.337(3) .
O13 H13 0.8400 .
C31 C32 1.566(3) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
