#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:23:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180010 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/04/7030400.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_7030400
loop_
_publ_author_name
'Han, Lu-Lu'
'Hu, Tuo-Ping'
'Chen, Jiang-Shan'
'Li, Zhong-Hui'
'Wang, Xing-Po'
'Zhao, Ya-Qin'
'Li, Xiao-Yu'
'Sun, Di'
_publ_section_title
;
 Simultaneous encapsulation of an infinite T4(0)A(0)6(0) water tape and
 discrete water hexamers in a hydrogen-bonded Ag(i) supramolecular
 framework.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8774
_journal_page_last               8780
_journal_paper_doi               10.1039/c4dt00494a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C40 H46 Ag2 N4 O13'
_chemical_formula_weight         1006.55
_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                90.3790(10)
_cell_angle_beta                 102.6810(10)
_cell_angle_gamma                111.4350(10)
_cell_formula_units_Z            2
_cell_length_a                   11.2602(8)
_cell_length_b                   13.3780(10)
_cell_length_c                   14.7418(10)
_cell_measurement_temperature    173(2)
_cell_volume                     2007.4(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0170
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10860
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    1.047
_exptl_absorpt_correction_T_max  0.9025
_exptl_absorpt_correction_T_min  0.8587
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.782
_refine_diff_density_min         -0.413
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         7739
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0486
_refine_ls_R_factor_gt           0.0354
_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)+(0.0383P)²+1.9240P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.0911
_reflns_number_gt                6188
_reflns_number_total             7739
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00494a2.cif
_cod_data_source_block           p
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 

 Adding full bibliography for 7030400.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7030400
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
Ag1 Ag -0.83935(3) 0.82666(2) 0.22165(2) 0.03441(9) Uani 1 1 d .
Ag2 Ag 0.13754(3) 0.29022(2) 0.692063(19) 0.02881(9) Uani 1 1 d .
C1 C -0.6288(3) 0.7948(3) 0.3803(2) 0.0271(7) Uani 1 1 d .
H1A H -0.6396 0.8501 0.4144 0.033 Uiso 1 1 calc R
C2 C -0.5399(3) 0.7517(3) 0.4232(2) 0.0235(7) Uani 1 1 d .
H2A H -0.4907 0.7776 0.4855 0.028 Uiso 1 1 calc R
C3 C -0.5215(3) 0.6707(3) 0.3759(2) 0.0208(7) Uani 1 1 d .
C4 C -0.5965(3) 0.6370(3) 0.2847(2) 0.0235(7) Uani 1 1 d .
H4A H -0.5869 0.5820 0.2493 0.028 Uiso 1 1 calc R
C5 C -0.6842(3) 0.6831(3) 0.2458(2) 0.0267(7) Uani 1 1 d .
H5A H -0.7348 0.6583 0.1837 0.032 Uiso 1 1 calc R
C6 C -0.4282(3) 0.6201(3) 0.4178(2) 0.0187(6) Uani 1 1 d .
C7 C -0.3155(3) 0.6749(3) 0.4882(2) 0.0217(7) Uani 1 1 d .
H7A H -0.2967 0.7476 0.5091 0.026 Uiso 1 1 calc R
C8 C -0.2314(3) 0.6254(3) 0.5279(2) 0.0217(7) Uani 1 1 d .
H8A H -0.1560 0.6644 0.5760 0.026 Uiso 1 1 calc R
C9 C -0.2551(3) 0.5188(3) 0.4984(2) 0.0182(6) Uani 1 1 d .
C10 C -0.3668(3) 0.4644(3) 0.4271(2) 0.0225(7) Uani 1 1 d .
H10A H -0.3845 0.3923 0.4052 0.027 Uiso 1 1 calc R
C11 C -0.4512(3) 0.5135(3) 0.3883(2) 0.0221(7) Uani 1 1 d .
H11A H -0.5268 0.4743 0.3404 0.027 Uiso 1 1 calc R
C12 C -0.0089(3) 0.4448(3) 0.6719(2) 0.0278(8) Uani 1 1 d .
H12A H 0.0412 0.4678 0.7344 0.033 Uiso 1 1 calc R
C13 C -0.0915(3) 0.4956(3) 0.6335(2) 0.0249(7) Uani 1 1 d .
H13A H -0.0979 0.5518 0.6695 0.030 Uiso 1 1 calc R
C14 C -0.1660(3) 0.4647(2) 0.5419(2) 0.0201(7) Uani 1 1 d .
C15 C -0.1524(3) 0.3813(3) 0.4938(2) 0.0223(7) Uani 1 1 d .
H15A H -0.2011 0.3574 0.4311 0.027 Uiso 1 1 calc R
C16 C -0.0684(3) 0.3335(3) 0.5369(2) 0.0235(7) Uani 1 1 d .
H16A H -0.0615 0.2762 0.5028 0.028 Uiso 1 1 calc R
C17 C 0.3509(3) 0.2635(3) 0.8497(2) 0.0242(7) Uani 1 1 d .
H17A H 0.3359 0.3184 0.8812 0.029 Uiso 1 1 calc R
C18 C 0.4423(3) 0.2250(3) 0.8971(2) 0.0232(7) Uani 1 1 d .
H18A H 0.4902 0.2543 0.9590 0.028 Uiso 1 1 calc R
C19 C 0.4645(3) 0.1423(2) 0.8536(2) 0.0198(7) Uani 1 1 d .
C20 C 0.3914(3) 0.1043(3) 0.7623(2) 0.0217(7) Uani 1 1 d .
H20A H 0.4022 0.0478 0.7299 0.026 Uiso 1 1 calc R
C21 C 0.3038(3) 0.1487(3) 0.7194(2) 0.0232(7) Uani 1 1 d .
H21A H 0.2564 0.1223 0.6568 0.028 Uiso 1 1 calc R
C22 C 0.5606(3) 0.0980(3) 0.9022(2) 0.0199(7) Uani 1 1 d .
C23 C 0.6694(3) 0.1599(3) 0.9731(2) 0.0222(7) Uani 1 1 d .
H23A H 0.6824 0.2325 0.9895 0.027 Uiso 1 1 calc R
C24 C 0.7580(3) 0.1177(3) 1.0193(2) 0.0229(7) Uani 1 1 d .
H24A H 0.8307 0.1615 1.0672 0.027 Uiso 1 1 calc R
C25 C 0.7425(3) 0.0111(3) 0.9969(2) 0.0193(6) Uani 1 1 d .
C26 C 0.6342(3) -0.0501(3) 0.9255(2) 0.0233(7) Uani 1 1 d .
H26A H 0.6216 -0.1226 0.9086 0.028 Uiso 1 1 calc R
C27 C 0.5457(3) -0.0083(3) 0.8792(2) 0.0232(7) Uani 1 1 d .
H27A H 0.4735 -0.0520 0.8310 0.028 Uiso 1 1 calc R
C28 C 0.9917(3) -0.0417(3) 1.1850(2) 0.0251(7) Uani 1 1 d .
H28A H 1.0379 -0.0147 1.2477 0.030 Uiso 1 1 calc R
C29 C 0.9048(3) 0.0020(3) 1.1400(2) 0.0223(7) Uani 1 1 d .
H29A H 0.8916 0.0577 1.1717 0.027 Uiso 1 1 calc R
C30 C 0.8355(3) -0.0352(2) 1.0474(2) 0.0188(6) Uani 1 1 d .
C31 C 0.8590(3) -0.1179(3) 1.0062(2) 0.0233(7) Uani 1 1 d .
H31A H 0.8142 -0.1465 0.9435 0.028 Uiso 1 1 calc R
C32 C 0.9464(3) -0.1581(3) 1.0556(2) 0.0261(7) Uani 1 1 d .
H32A H 0.9597 -0.2150 1.0259 0.031 Uiso 1 1 calc R
C33 C 0.1805(3) 0.2564(2) 0.2436(2) 0.0193(6) Uani 1 1 d .
C34 C 0.2895(3) 0.3139(2) 0.1967(2) 0.0165(6) Uani 1 1 d .
C35 C 0.2758(3) 0.3885(3) 0.1332(2) 0.0235(7) Uani 1 1 d .
H35A H 0.1967 0.4019 0.1189 0.028 Uiso 1 1 calc R
C36 C 0.3760(3) 0.4428(3) 0.0912(2) 0.0303(8) Uani 1 1 d .
H36A H 0.3664 0.4943 0.0491 0.036 Uiso 1 1 calc R
C37 C 0.4909(3) 0.4227(3) 0.1102(2) 0.0261(7) Uani 1 1 d .
H37A H 0.5591 0.4599 0.0804 0.031 Uiso 1 1 calc R
C38 C 0.5070(3) 0.3484(2) 0.1727(2) 0.0200(7) Uani 1 1 d .
C39 C 0.4061(3) 0.2946(2) 0.2160(2) 0.0179(6) Uani 1 1 d .
H39A H 0.4166 0.2442 0.2591 0.021 Uiso 1 1 calc R
C40 C 0.6339(3) 0.3273(3) 0.1926(2) 0.0253(7) Uani 1 1 d .
N1 N -0.7014(3) 0.7621(2) 0.2921(2) 0.0275(6) Uani 1 1 d .
N2 N 0.0048(3) 0.3641(2) 0.62572(18) 0.0229(6) Uani 1 1 d .
N3 N 0.2816(3) 0.2278(2) 0.76140(19) 0.0222(6) Uani 1 1 d .
N4 N 1.0147(3) -0.1213(2) 1.14433(19) 0.0237(6) Uani 1 1 d .
O1 O 0.0811(2) 0.28198(19) 0.22629(16) 0.0273(5) Uani 1 1 d .
O1W O 0.7302(3) 0.0152(3) 0.4862(2) 0.0523(8) Uani 1 1 d .
H1WA H 0.8104 0.0568 0.5051 0.063 Uiso 1 1 d R
H1WB H 0.6838 0.0450 0.4521 0.063 Uiso 1 1 d R
O2 O 0.1956(2) 0.18810(18) 0.29833(16) 0.0246(5) Uani 1 1 d .
O2W O 0.8164(3) 0.5956(2) 0.13373(19) 0.0411(7) Uani 1 1 d .
H2WA H 0.8867 0.6135 0.1147 0.049 Uiso 1 1 d R
H2WB H 0.7684 0.5297 0.1343 0.049 Uiso 1 1 d R
O3W O 0.5745(3) 0.1107(2) 0.37685(19) 0.0487(8) Uani 1 1 d .
H3WA H 0.4954 0.0795 0.3809 0.058 Uiso 1 1 d R
H3WB H 0.6091 0.1704 0.3552 0.058 Uiso 1 1 d R
O3 O 0.6490(2) 0.2656(2) 0.25317(19) 0.0366(6) Uani 1 1 d .
O4W O 0.8567(3) 0.1996(3) 0.2946(2) 0.0572(9) Uani 1 1 d .
H4WA H 0.7964 0.2247 0.2808 0.069 Uiso 1 1 d R
H4WB H 0.9162 0.2212 0.2643 0.069 Uiso 1 1 d R
O4 O 0.7156(2) 0.3736(2) 0.14464(18) 0.0342(6) Uani 1 1 d .
O5W O 0.0040(2) 0.09382(19) 0.38579(16) 0.0305(6) Uani 1 1 d .
H5WA H 0.0681 0.1216 0.3605 0.037 Uiso 1 1 d R
H5WB H -0.0579 0.1145 0.3617 0.037 Uiso 1 1 d R
O6W O 0.9513(2) 0.39399(18) 0.11388(16) 0.0266(5) Uani 1 1 d .
H6WB H 0.9895 0.3543 0.1411 0.032 Uiso 1 1 d R
H6WA H 0.8805 0.3801 0.1316 0.032 Uiso 1 1 d R
O7W O 0.3039(2) 0.0311(2) 0.33731(19) 0.0401(6) Uani 1 1 d .
H7WA H 0.2723 0.0793 0.3229 0.048 Uiso 1 1 d R
H7WB H 0.2955 0.0150 0.3918 0.048 Uiso 1 1 d R
O8W O 0.0467(2) 0.6156(2) 0.07610(17) 0.0346(6) Uani 1 1 d .
H8WB H 0.0576 0.6189 0.0208 0.042 Uiso 1 1 d R
H8WA H 0.0557 0.5570 0.0906 0.042 Uiso 1 1 d R
O9W O 0.0068(2) 0.11070(19) 0.57063(17) 0.0340(6) Uani 1 1 d .
H9WB H 0.0370 0.1183 0.5220 0.041 Uiso 1 1 d R
H9WA H 0.0289 0.0605 0.5943 0.041 Uiso 1 1 d R
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'
Ag Ag -0.8971 1.1015 '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'
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
N4 Ag1 N1 175.23(11) 1_364 .
N2 Ag2 N3 175.82(11) . .
N2 Ag2 O9W 91.08(9) . .
N3 Ag2 O9W 92.57(9) . .
N1 C1 C2 122.9(3) . .
N1 C1 H1A 118.5 . .
C2 C1 H1A 118.5 . .
C1 C2 C3 120.3(3) . .
C1 C2 H2A 119.9 . .
C3 C2 H2A 119.9 . .
C2 C3 C4 116.8(3) . .
C2 C3 C6 123.2(3) . .
C4 C3 C6 120.0(3) . .
C5 C4 C3 120.2(3) . .
C5 C4 H4A 119.9 . .
C3 C4 H4A 119.9 . .
N1 C5 C4 122.8(3) . .
N1 C5 H5A 118.6 . .
C4 C5 H5A 118.6 . .
C7 C6 C11 117.4(3) . .
C7 C6 C3 122.2(3) . .
C11 C6 C3 120.4(3) . .
C8 C7 C6 121.3(3) . .
C8 C7 H7A 119.3 . .
C6 C7 H7A 119.3 . .
C7 C8 C9 121.1(3) . .
C7 C8 H8A 119.5 . .
C9 C8 H8A 119.5 . .
C8 C9 C10 117.7(3) . .
C8 C9 C14 121.2(3) . .
C10 C9 C14 121.1(3) . .
C11 C10 C9 121.2(3) . .
C11 C10 H10A 119.4 . .
C9 C10 H10A 119.4 . .
C10 C11 C6 121.3(3) . .
C10 C11 H11A 119.3 . .
C6 C11 H11A 119.3 . .
N2 C12 C13 123.5(3) . .
N2 C12 H12A 118.3 . .
C13 C12 H12A 118.3 . .
C12 C13 C14 120.0(3) . .
C12 C13 H13A 120.0 . .
C14 C13 H13A 120.0 . .
C15 C14 C13 116.8(3) . .
C15 C14 C9 122.0(3) . .
C13 C14 C9 121.2(3) . .
C16 C15 C14 120.0(3) . .
C16 C15 H15A 120.0 . .
C14 C15 H15A 120.0 . .
N2 C16 C15 123.2(3) . .
N2 C16 H16A 118.4 . .
C15 C16 H16A 118.4 . .
N3 C17 C18 123.6(3) . .
N3 C17 H17A 118.2 . .
C18 C17 H17A 118.2 . .
C17 C18 C19 119.7(3) . .
C17 C18 H18A 120.2 . .
C19 C18 H18A 120.2 . .
C20 C19 C18 116.7(3) . .
C20 C19 C22 121.9(3) . .
C18 C19 C22 121.4(3) . .
C21 C20 C19 119.9(3) . .
C21 C20 H20A 120.1 . .
C19 C20 H20A 120.1 . .
N3 C21 C20 123.4(3) . .
N3 C21 H21A 118.3 . .
C20 C21 H21A 118.3 . .
C27 C22 C23 117.6(3) . .
C27 C22 C19 120.8(3) . .
C23 C22 C19 121.6(3) . .
C24 C23 C22 121.4(3) . .
C24 C23 H23A 119.3 . .
C22 C23 H23A 119.3 . .
C23 C24 C25 121.0(3) . .
C23 C24 H24A 119.5 . .
C25 C24 H24A 119.5 . .
C24 C25 C26 117.4(3) . .
C24 C25 C30 121.2(3) . .
C26 C25 C30 121.4(3) . .
C27 C26 C25 121.8(3) . .
C27 C26 H26A 119.1 . .
C25 C26 H26A 119.1 . .
C26 C27 C22 120.8(3) . .
C26 C27 H27A 119.6 . .
C22 C27 H27A 119.6 . .
N4 C28 C29 123.0(3) . .
N4 C28 H28A 118.5 . .
C29 C28 H28A 118.5 . .
C28 C29 C30 120.2(3) . .
C28 C29 H29A 119.9 . .
C30 C29 H29A 119.9 . .
C31 C30 C29 116.5(3) . .
C31 C30 C25 122.1(3) . .
C29 C30 C25 121.4(3) . .
C32 C31 C30 120.1(3) . .
C32 C31 H31A 120.0 . .
C30 C31 H31A 120.0 . .
N4 C32 C31 123.6(3) . .
N4 C32 H32A 118.2 . .
C31 C32 H32A 118.2 . .
O2 C33 O1 124.6(3) . .
O2 C33 C34 118.0(3) . .
O1 C33 C34 117.3(3) . .
C39 C34 C35 118.8(3) . .
C39 C34 C33 121.0(3) . .
C35 C34 C33 120.2(3) . .
C36 C35 C34 120.5(3) . .
C36 C35 H35A 119.8 . .
C34 C35 H35A 119.8 . .
C35 C36 C37 120.3(3) . .
C35 C36 H36A 119.8 . .
C37 C36 H36A 119.8 . .
C36 C37 C38 120.5(3) . .
C36 C37 H37A 119.8 . .
C38 C37 H37A 119.8 . .
C37 C38 C39 119.1(3) . .
C37 C38 C40 119.7(3) . .
C39 C38 C40 121.2(3) . .
C38 C39 C34 120.8(3) . .
C38 C39 H39A 119.6 . .
C34 C39 H39A 119.6 . .
O3 C40 O4 125.2(3) . .
O3 C40 C38 118.2(3) . .
O4 C40 C38 116.6(3) . .
C1 N1 C5 117.1(3) . .
C1 N1 Ag1 124.6(2) . .
C5 N1 Ag1 118.3(2) . .
C12 N2 C16 116.5(3) . .
C12 N2 Ag2 120.5(2) . .
C16 N2 Ag2 123.0(2) . .
C17 N3 C21 116.7(3) . .
C17 N3 Ag2 121.6(2) . .
C21 N3 Ag2 121.7(2) . .
C32 N4 C28 116.7(3) . .
C32 N4 Ag1 125.2(2) . 1_746
C28 N4 Ag1 118.0(2) . 1_746
H1WA O1W H1WB 113.0 . .
H2WA O2W H2WB 121.3 . .
H3WA O3W H3WB 128.3 . .
H4WA O4W H4WB 115.6 . .
H5WA O5W H5WB 109.9 . .
H6WB O6W H6WA 107.6 . .
H7WA O7W H7WB 108.3 . .
H8WB O8W H8WA 102.5 . .
Ag2 O9W H9WB 109.9 . .
Ag2 O9W H9WA 107.4 . .
H9WB O9W H9WA 101.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N4 2.123(3) 1_364
Ag1 N1 2.126(3) .
Ag2 N2 2.148(2) .
Ag2 N3 2.156(2) .
Ag2 O9W 2.710(2) .
C1 N1 1.348(4) .
C1 C2 1.372(4) .
C1 H1A 0.9500 .
C2 C3 1.387(4) .
C2 H2A 0.9500 .
C3 C4 1.392(4) .
C3 C6 1.477(4) .
C4 C5 1.373(4) .
C4 H4A 0.9500 .
C5 N1 1.349(4) .
C5 H5A 0.9500 .
C6 C7 1.399(4) .
C6 C11 1.401(4) .
C7 C8 1.378(4) .
C7 H7A 0.9500 .
C8 C9 1.400(4) .
C8 H8A 0.9500 .
C9 C10 1.398(4) .
C9 C14 1.480(4) .
C10 C11 1.373(4) .
C10 H10A 0.9500 .
C11 H11A 0.9500 .
C12 N2 1.346(4) .
C12 C13 1.373(4) .
C12 H12A 0.9500 .
C13 C14 1.394(4) .
C13 H13A 0.9500 .
C14 C15 1.391(4) .
C15 C16 1.375(4) .
C15 H15A 0.9500 .
C16 N2 1.354(4) .
C16 H16A 0.9500 .
C17 N3 1.344(4) .
C17 C18 1.375(4) .
C17 H17A 0.9500 .
C18 C19 1.400(4) .
C18 H18A 0.9500 .
C19 C20 1.396(4) .
C19 C22 1.473(4) .
C20 C21 1.373(4) .
C20 H20A 0.9500 .
C21 N3 1.348(4) .
C21 H21A 0.9500 .
C22 C27 1.399(4) .
C22 C23 1.401(4) .
C23 C24 1.377(4) .
C23 H23A 0.9500 .
C24 C25 1.399(4) .
C24 H24A 0.9500 .
C25 C26 1.400(4) .
C25 C30 1.474(4) .
C26 C27 1.373(4) .
C26 H26A 0.9500 .
C27 H27A 0.9500 .
C28 N4 1.350(4) .
C28 C29 1.370(4) .
C28 H28A 0.9500 .
C29 C30 1.399(4) .
C29 H29A 0.9500 .
C30 C31 1.394(4) .
C31 C32 1.365(4) .
C31 H31A 0.9500 .
C32 N4 1.348(4) .
C32 H32A 0.9500 .
C33 O2 1.256(4) .
C33 O1 1.261(4) .
C33 C34 1.505(4) .
C34 C39 1.398(4) .
C34 C35 1.400(4) .
C35 C36 1.378(5) .
C35 H35A 0.9500 .
C36 C37 1.385(5) .
C36 H36A 0.9500 .
C37 C38 1.394(4) .
C37 H37A 0.9500 .
C38 C39 1.394(4) .
C38 C40 1.523(4) .
C39 H39A 0.9500 .
C40 O3 1.245(4) .
C40 O4 1.266(4) .
N4 Ag1 2.123(3) 1_746
O1W H1WA 0.8501 .
O1W H1WB 0.8500 .
O2W H2WA 0.8500 .
O2W H2WB 0.8500 .
O3W H3WA 0.8501 .
O3W H3WB 0.8499 .
O4W H4WA 0.8501 .
O4W H4WB 0.8500 .
O5W H5WA 0.8500 .
O5W H5WB 0.8500 .
O6W H6WB 0.8500 .
O6W H6WA 0.8500 .
O7W H7WA 0.8501 .
O7W H7WB 0.8500 .
O8W H8WB 0.8499 .
O8W H8WA 0.8500 .
O9W H9WB 0.8500 .
O9W H9WA 0.8500 .
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
N1 C1 C2 C3 -0.2(5) . .
C1 C2 C3 C4 0.2(5) . .
C1 C2 C3 C6 -179.6(3) . .
C2 C3 C4 C5 -0.4(5) . .
C6 C3 C4 C5 179.4(3) . .
C3 C4 C5 N1 0.6(5) . .
C2 C3 C6 C7 -27.6(5) . .
C4 C3 C6 C7 152.6(3) . .
C2 C3 C6 C11 151.7(3) . .
C4 C3 C6 C11 -28.1(5) . .
C11 C6 C7 C8 -0.8(5) . .
C3 C6 C7 C8 178.5(3) . .
C6 C7 C8 C9 0.6(5) . .
C7 C8 C9 C10 0.2(5) . .
C7 C8 C9 C14 -179.0(3) . .
C8 C9 C10 C11 -0.9(5) . .
C14 C9 C10 C11 178.4(3) . .
C9 C10 C11 C6 0.6(5) . .
C7 C6 C11 C10 0.2(5) . .
C3 C6 C11 C10 -179.1(3) . .
N2 C12 C13 C14 -0.5(6) . .
C12 C13 C14 C15 0.5(5) . .
C12 C13 C14 C9 -179.5(3) . .
C8 C9 C14 C15 -153.1(3) . .
C10 C9 C14 C15 27.6(5) . .
C8 C9 C14 C13 26.8(5) . .
C10 C9 C14 C13 -152.4(3) . .
C13 C14 C15 C16 0.0(5) . .
C9 C14 C15 C16 180.0(3) . .
C14 C15 C16 N2 -0.6(5) . .
N3 C17 C18 C19 -1.6(5) . .
C17 C18 C19 C20 0.7(5) . .
C17 C18 C19 C22 -179.4(3) . .
C18 C19 C20 C21 0.6(5) . .
C22 C19 C20 C21 -179.4(3) . .
C19 C20 C21 N3 -1.1(5) . .
C20 C19 C22 C27 -27.6(5) . .
C18 C19 C22 C27 152.5(3) . .
C20 C19 C22 C23 152.7(3) . .
C18 C19 C22 C23 -27.3(5) . .
C27 C22 C23 C24 -0.7(5) . .
C19 C22 C23 C24 179.0(3) . .
C22 C23 C24 C25 0.2(5) . .
C23 C24 C25 C26 0.3(5) . .
C23 C24 C25 C30 -178.7(3) . .
C24 C25 C26 C27 -0.3(5) . .
C30 C25 C26 C27 178.8(3) . .
C25 C26 C27 C22 -0.2(5) . .
C23 C22 C27 C26 0.7(5) . .
C19 C22 C27 C26 -179.0(3) . .
N4 C28 C29 C30 -0.4(5) . .
C28 C29 C30 C31 0.8(5) . .
C28 C29 C30 C25 -179.3(3) . .
C24 C25 C30 C31 -152.3(3) . .
C26 C25 C30 C31 28.6(5) . .
C24 C25 C30 C29 27.8(5) . .
C26 C25 C30 C29 -151.2(3) . .
C29 C30 C31 C32 -0.3(5) . .
C25 C30 C31 C32 179.8(3) . .
C30 C31 C32 N4 -0.7(5) . .
O2 C33 C34 C39 -2.2(4) . .
O1 C33 C34 C39 176.5(3) . .
O2 C33 C34 C35 178.2(3) . .
O1 C33 C34 C35 -3.0(4) . .
C39 C34 C35 C36 -0.7(5) . .
C33 C34 C35 C36 178.9(3) . .
C34 C35 C36 C37 1.1(5) . .
C35 C36 C37 C38 -0.8(5) . .
C36 C37 C38 C39 -0.1(5) . .
C36 C37 C38 C40 180.0(3) . .
C37 C38 C39 C34 0.5(4) . .
C40 C38 C39 C34 -179.5(3) . .
C35 C34 C39 C38 -0.1(4) . .
C33 C34 C39 C38 -179.7(3) . .
C37 C38 C40 O3 175.5(3) . .
C39 C38 C40 O3 -4.5(5) . .
C37 C38 C40 O4 -5.4(4) . .
C39 C38 C40 O4 174.7(3) . .
C2 C1 N1 C5 0.3(5) . .
C2 C1 N1 Ag1 -179.4(3) . .
C4 C5 N1 C1 -0.5(5) . .
C4 C5 N1 Ag1 179.2(3) . .
N4 Ag1 N1 C1 -154.4(12) 1_364 .
N4 Ag1 N1 C5 25.8(14) 1_364 .
C13 C12 N2 C16 -0.1(5) . .
C13 C12 N2 Ag2 179.8(3) . .
C15 C16 N2 C12 0.6(5) . .
C15 C16 N2 Ag2 -179.2(3) . .
N3 Ag2 N2 C12 -50.6(15) . .
O9W Ag2 N2 C12 158.5(3) . .
N3 Ag2 N2 C16 129.2(13) . .
O9W Ag2 N2 C16 -21.7(3) . .
C18 C17 N3 C21 1.0(5) . .
C18 C17 N3 Ag2 179.1(3) . .
C20 C21 N3 C17 0.3(5) . .
C20 C21 N3 Ag2 -177.7(2) . .
N2 Ag2 N3 C17 52.4(15) . .
O9W Ag2 N3 C17 -156.7(2) . .
N2 Ag2 N3 C21 -129.6(13) . .
O9W Ag2 N3 C21 21.2(3) . .
C31 C32 N4 C28 1.1(5) . .
C31 C32 N4 Ag1 -175.8(3) . 1_746
C29 C28 N4 C32 -0.6(5) . .
C29 C28 N4 Ag1 176.5(3) . 1_746
