#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:45:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179126 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/88/4308810.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_4308810
loop_
_publ_author_name
'Jie-Peng Zhang'
'Yan-Yong Lin'
'Xiao-Chun Huang'
'Xiao-Ming Chen'
_publ_section_title
;
Well-Resolved, New Water Morphologies Obtained by Modification of the
Hydrophilic/Hydrophobic Character and Shapes of the Supporting Layers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3146
_journal_page_last               3150
_journal_paper_doi               10.1021/ic0483186
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C60 H78 Ag6 N12 O24'
_chemical_formula_weight         1998.56
_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                 95.4050(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.7559(7)
_cell_length_b                   19.2829(10)
_cell_length_c                   26.2386(13)
_cell_measurement_temperature    123(2)
_cell_volume                     6928.9(6)
_computing_cell_refinement       'SAINT-PLUS for Windows NT, Ver. 6.0'
_computing_data_collection       'SMART for Windows NT, Bruker AXS Inc., 1998'
_computing_data_reduction        'SAINT-PLUS for Windows NT, Ver. 6.0'
_computing_molecular_graphics    'SHELXTL Ver. 6.10, (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL Ver. 6.10, (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXTL Ver. 6.10, (Sheldrick, 2000)'
_computing_structure_solution    'SHELXTL Ver. 6.10, (Sheldrick, 2000)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker Apex CCD'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            47670
_diffrn_reflns_theta_full        28.04
_diffrn_reflns_theta_max         28.04
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    1.750
_exptl_absorpt_correction_T_max  0.9494
_exptl_absorpt_correction_T_min  0.6218
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.916
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate-like
_exptl_crystal_F_000             3984
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.887
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1059
_refine_ls_number_reflns         16508
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0686P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1050
_refine_ls_wR_factor_ref         0.1058
_reflns_number_gt                13452
_reflns_number_total             16508
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0483186si20041128_102903_2.cif
_cod_data_source_block           compound_2_245551
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4308810
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 1.13981(2) 0.231925(14) 0.689754(11) 0.01962(7) Uani 1 1 d . . .
Ag2 Ag 1.07698(2) 0.172373(14) 0.775841(11) 0.01924(7) Uani 1 1 d . . .
Ag3 Ag 1.19268(2) 0.051965(14) 0.682788(12) 0.02054(7) Uani 1 1 d . . .
Ag4 Ag 1.29067(2) 0.115016(14) 0.766294(11) 0.01790(7) Uani 1 1 d . . .
Ag5 Ag 1.41370(2) 0.004464(14) 0.702768(11) 0.01841(7) Uani 1 1 d . . .
Ag6 Ag 1.35766(2) -0.060092(14) 0.788703(11) 0.01706(7) Uani 1 1 d . . .
N1 N 1.2251(2) 0.30307(15) 0.74489(12) 0.0166(6) Uani 1 1 d . . .
N2 N 1.2110(2) 0.31727(17) 0.64084(12) 0.0203(7) Uani 1 1 d . . .
N3 N 0.9685(2) 0.11858(15) 0.72076(12) 0.0151(6) Uani 1 1 d . . .
N4 N 0.9711(2) 0.11281(15) 0.82465(12) 0.0190(6) Uani 1 1 d . . .
N5 N 1.1180(2) -0.00921(15) 0.74027(13) 0.0192(7) Uani 1 1 d . . .
N6 N 1.0814(2) -0.02160(17) 0.63655(14) 0.0250(7) Uani 1 1 d . . .
N7 N 1.3658(2) 0.17602(15) 0.70934(11) 0.0135(6) Uani 1 1 d . . .
N8 N 1.4009(2) 0.18799(15) 0.81287(12) 0.0156(6) Uani 1 1 d . . .
N9 N 1.5267(2) 0.05445(14) 0.75821(12) 0.0147(6) Uani 1 1 d . . .
N10 N 1.5221(2) 0.06089(15) 0.65331(12) 0.0191(7) Uani 1 1 d . . .
N11 N 1.2737(2) -0.13027(14) 0.73429(11) 0.0131(6) Uani 1 1 d . . .
N12 N 1.2894(2) -0.14673(16) 0.83868(12) 0.0204(7) Uani 1 1 d . . .
O1 O 1.17129(19) 0.24923(14) 0.81554(11) 0.0228(6) Uani 1 1 d . . .
O2 O 1.03209(19) 0.16340(13) 0.65030(10) 0.0198(5) Uani 1 1 d . . .
O3 O 1.20292(19) 0.04567(14) 0.80825(11) 0.0229(6) Uani 1 1 d . . .
O4 O 1.2786(2) 0.12344(14) 0.64078(10) 0.0218(6) Uani 1 1 d . . .
O5 O 1.46264(19) 0.00903(13) 0.82816(10) 0.0203(6) Uani 1 1 d . . .
O6 O 1.32091(18) -0.07352(13) 0.66394(10) 0.0183(5) Uani 1 1 d . . .
C1 C 1.2242(3) 0.29704(17) 0.79668(14) 0.0158(7) Uani 1 1 d . . .
C2 C 1.2801(3) 0.34253(19) 0.82920(15) 0.0183(7) Uani 1 1 d . . .
H2A H 1.2791 0.3389 0.8653 0.022 Uiso 1 1 calc R . .
C3 C 1.3361(3) 0.39203(19) 0.80897(16) 0.0225(8) Uani 1 1 d . . .
H3A H 1.3749 0.4224 0.8310 0.027 Uiso 1 1 calc R . .
C4 C 1.3363(3) 0.39806(19) 0.75603(15) 0.0208(8) Uani 1 1 d . . .
H4A H 1.3742 0.4328 0.7415 0.025 Uiso 1 1 calc R . .
C5 C 1.2805(3) 0.35250(18) 0.72520(15) 0.0175(7) Uani 1 1 d . . .
C6 C 1.2784(3) 0.35580(17) 0.66799(16) 0.0192(8) Uani 1 1 d . . .
C7 C 1.3430(3) 0.39682(19) 0.64402(17) 0.0244(9) Uani 1 1 d . . .
H7A H 1.3914 0.4232 0.6636 0.029 Uiso 1 1 calc R . .
C8 C 1.3361(3) 0.3989(2) 0.59100(18) 0.0301(10) Uani 1 1 d . . .
H8A H 1.3791 0.4277 0.5742 0.036 Uiso 1 1 calc R . .
C9 C 1.2684(3) 0.3601(2) 0.56308(17) 0.0289(9) Uani 1 1 d . . .
H9A H 1.2631 0.3609 0.5267 0.035 Uiso 1 1 calc R . .
C10 C 1.2074(3) 0.3194(2) 0.58950(15) 0.0223(8) Uani 1 1 d . . .
H10A H 1.1603 0.2913 0.5703 0.027 Uiso 1 1 calc R . .
C11 C 0.9683(3) 0.12341(18) 0.66988(14) 0.0163(7) Uani 1 1 d . . .
C12 C 0.9007(3) 0.08499(19) 0.63672(14) 0.0188(7) Uani 1 1 d . . .
H12A H 0.9003 0.0896 0.6006 0.023 Uiso 1 1 calc R . .
C13 C 0.8365(3) 0.04164(18) 0.65701(16) 0.0203(8) Uani 1 1 d . . .
H13A H 0.7918 0.0150 0.6352 0.024 Uiso 1 1 calc R . .
C14 C 0.8365(3) 0.03639(17) 0.71007(15) 0.0182(7) Uani 1 1 d . . .
H14A H 0.7916 0.0065 0.7246 0.022 Uiso 1 1 calc R . .
C15 C 0.9025(3) 0.07497(17) 0.74133(14) 0.0159(7) Uani 1 1 d . . .
C16 C 0.9071(3) 0.07082(18) 0.79772(15) 0.0171(7) Uani 1 1 d . . .
C17 C 0.8508(3) 0.02427(19) 0.82249(15) 0.0190(7) Uani 1 1 d . . .
H17A H 0.8057 -0.0051 0.8032 0.023 Uiso 1 1 calc R . .
C18 C 0.8606(3) 0.0207(2) 0.87564(16) 0.0224(8) Uani 1 1 d . . .
H18A H 0.8220 -0.0108 0.8930 0.027 Uiso 1 1 calc R . .
C19 C 0.9263(3) 0.0632(2) 0.90274(17) 0.0244(8) Uani 1 1 d . . .
H19A H 0.9357 0.0611 0.9390 0.029 Uiso 1 1 calc R . .
C20 C 0.9794(3) 0.1097(2) 0.87530(16) 0.0233(8) Uani 1 1 d . . .
H20A H 1.0234 0.1405 0.8939 0.028 Uiso 1 1 calc R . .
C21 C 1.1372(3) -0.00002(19) 0.79057(17) 0.0237(9) Uani 1 1 d . . .
C22 C 1.0894(3) -0.04030(19) 0.82571(17) 0.0217(8) Uani 1 1 d . . .
H22A H 1.1049 -0.0345 0.8615 0.026 Uiso 1 1 calc R . .
C23 C 1.0203(3) -0.0879(2) 0.80756(18) 0.0271(9) Uani 1 1 d . . .
H23A H 0.9858 -0.1140 0.8307 0.033 Uiso 1 1 calc R . .
C24 C 1.0012(3) -0.09756(18) 0.75544(19) 0.0266(9) Uani 1 1 d . . .
H24A H 0.9545 -0.1309 0.7423 0.032 Uiso 1 1 calc R . .
C25 C 1.0517(3) -0.05739(19) 0.72241(18) 0.0250(9) Uani 1 1 d . . .
C26 C 1.0309(3) -0.06289(19) 0.66469(18) 0.0255(9) Uani 1 1 d . . .
C27 C 0.9629(3) -0.1098(2) 0.6426(2) 0.0322(10) Uani 1 1 d . . .
H27A H 0.9296 -0.1404 0.6635 0.039 Uiso 1 1 calc R . .
C28 C 0.9447(3) -0.1114(2) 0.5911(2) 0.0398(12) Uani 1 1 d . . .
H28A H 0.8984 -0.1431 0.5752 0.048 Uiso 1 1 calc R . .
C29 C 0.9933(4) -0.0672(2) 0.5624(2) 0.0384(11) Uani 1 1 d . . .
H29A H 0.9797 -0.0661 0.5263 0.046 Uiso 1 1 calc R . .
C30 C 1.0627(3) -0.0239(2) 0.58665(18) 0.0318(10) Uani 1 1 d . . .
H30A H 1.0985 0.0057 0.5663 0.038 Uiso 1 1 calc R . .
C31 C 1.3448(3) 0.16726(18) 0.65802(14) 0.0165(7) Uani 1 1 d . . .
C32 C 1.3971(3) 0.20651(18) 0.62415(14) 0.0170(7) Uani 1 1 d . . .
H32A H 1.3831 0.2011 0.5882 0.020 Uiso 1 1 calc R . .
C33 C 1.4675(3) 0.25215(18) 0.64276(14) 0.0159(7) Uani 1 1 d . . .
H33A H 1.5029 0.2781 0.6199 0.019 Uiso 1 1 calc R . .
C34 C 1.4875(3) 0.26058(17) 0.69544(14) 0.0142(7) Uani 1 1 d . . .
H34A H 1.5365 0.2921 0.7089 0.017 Uiso 1 1 calc R . .
C35 C 1.4348(2) 0.22224(18) 0.72763(14) 0.0151(7) Uani 1 1 d . . .
C36 C 1.4537(2) 0.22886(17) 0.78409(13) 0.0132(7) Uani 1 1 d . . .
C37 C 1.5218(3) 0.2752(2) 0.80738(15) 0.0200(8) Uani 1 1 d . . .
H37A H 1.5586 0.3041 0.7870 0.024 Uiso 1 1 calc R . .
C38 C 1.5356(3) 0.2792(2) 0.85978(15) 0.0252(9) Uani 1 1 d . . .
H38A H 1.5817 0.3108 0.8759 0.030 Uiso 1 1 calc R . .
C39 C 1.4819(3) 0.2369(2) 0.88885(15) 0.0220(8) Uani 1 1 d . . .
H39A H 1.4910 0.2383 0.9252 0.026 Uiso 1 1 calc R . .
C40 C 1.4156(3) 0.19305(19) 0.86421(14) 0.0175(7) Uani 1 1 d . . .
H40A H 1.3778 0.1645 0.8843 0.021 Uiso 1 1 calc R . .
C41 C 1.5272(3) 0.04840(17) 0.80965(14) 0.0168(7) Uani 1 1 d . . .
C42 C 1.5967(3) 0.08443(18) 0.84260(15) 0.0166(7) Uani 1 1 d . . .
H42A H 1.5985 0.0792 0.8787 0.020 Uiso 1 1 calc R . .
C43 C 1.6620(3) 0.12727(19) 0.82133(16) 0.0207(8) Uani 1 1 d . . .
H43A H 1.7078 0.1532 0.8430 0.025 Uiso 1 1 calc R . .
C44 C 1.6616(3) 0.13294(18) 0.76887(15) 0.0181(7) Uani 1 1 d . . .
H44A H 1.7079 0.1616 0.7543 0.022 Uiso 1 1 calc R . .
C45 C 1.5929(3) 0.09625(16) 0.73784(14) 0.0148(7) Uani 1 1 d . . .
C46 C 1.5887(3) 0.09994(17) 0.68082(14) 0.0153(7) Uani 1 1 d . . .
C47 C 1.6515(3) 0.14241(18) 0.65583(16) 0.0213(8) Uani 1 1 d . . .
H47A H 1.6980 0.1704 0.6754 0.026 Uiso 1 1 calc R . .
C48 C 1.6468(3) 0.1443(2) 0.60319(16) 0.0238(8) Uani 1 1 d . . .
H48A H 1.6905 0.1725 0.5864 0.029 Uiso 1 1 calc R . .
C49 C 1.5773(3) 0.1042(2) 0.57528(15) 0.0235(8) Uani 1 1 d . . .
H49A H 1.5716 0.1041 0.5389 0.028 Uiso 1 1 calc R . .
C50 C 1.5168(3) 0.06462(19) 0.60246(16) 0.0238(8) Uani 1 1 d . . .
H50A H 1.4676 0.0380 0.5836 0.029 Uiso 1 1 calc R . .
C51 C 1.2709(3) -0.12324(17) 0.68280(14) 0.0142(7) Uani 1 1 d . . .
C52 C 1.2172(3) -0.17001(18) 0.64971(15) 0.0191(7) Uani 1 1 d . . .
H52A H 1.2161 -0.1653 0.6136 0.023 Uiso 1 1 calc R . .
C53 C 1.1661(3) -0.22285(18) 0.67093(15) 0.0195(8) Uani 1 1 d . . .
H53A H 1.1304 -0.2553 0.6493 0.023 Uiso 1 1 calc R . .
C54 C 1.1670(3) -0.22861(16) 0.72310(15) 0.0164(7) Uani 1 1 d . . .
H54A H 1.1309 -0.2644 0.7376 0.020 Uiso 1 1 calc R . .
C55 C 1.2205(2) -0.18238(18) 0.75435(15) 0.0162(7) Uani 1 1 d . . .
C56 C 1.2225(3) -0.18535(17) 0.81106(14) 0.0159(7) Uani 1 1 d . . .
C57 C 1.1527(3) -0.22394(19) 0.83501(15) 0.0200(8) Uani 1 1 d . . .
H57A H 1.1056 -0.2513 0.8153 0.024 Uiso 1 1 calc R . .
C58 C 1.1540(3) -0.2213(2) 0.88713(17) 0.0262(9) Uani 1 1 d . . .
H58A H 1.1071 -0.2466 0.9040 0.031 Uiso 1 1 calc R . .
C59 C 1.2233(3) -0.1821(2) 0.91509(16) 0.0261(9) Uani 1 1 d . . .
H59A H 1.2255 -0.1803 0.9514 0.031 Uiso 1 1 calc R . .
C60 C 1.2892(3) -0.1457(2) 0.88960(16) 0.0243(8) Uani 1 1 d . . .
H60A H 1.3369 -0.1185 0.9090 0.029 Uiso 1 1 calc R . .
O1W O 1.4101(3) 0.08466(18) 0.44211(15) 0.0375(8) Uani 1 1 d . . .
H1WA H 1.474(5) 0.084(3) 0.434(3) 0.08(2) Uiso 1 1 d . . .
H1WB H 1.407(5) 0.119(4) 0.453(3) 0.07(2) Uiso 1 1 d . . .
O2W O 1.2804(2) 0.00598(16) 0.49643(11) 0.0266(6) Uani 1 1 d . . .
H2WA H 1.2939 0.0316 0.4717 0.048 Uiso 1 1 d R . .
H2WB H 1.270(4) 0.042(3) 0.509(2) 0.037(15) Uiso 1 1 d . . .
O3W O 1.2160(2) 0.12519(15) 0.54193(11) 0.0209(6) Uani 1 1 d . . .
H3WA H 1.244(4) 0.135(2) 0.573(2) 0.033(13) Uiso 1 1 d . . .
H3WB H 1.168(4) 0.149(3) 0.5379(19) 0.033(14) Uiso 1 1 d . . .
O4W O 1.0234(2) 0.17002(15) 0.54719(12) 0.0243(6) Uani 1 1 d . . .
H4WA H 1.017(3) 0.173(2) 0.579(2) 0.026(12) Uiso 1 1 d . . .
H4WB H 0.973(3) 0.150(2) 0.5336(18) 0.021(12) Uiso 1 1 d . . .
O5W O 0.8390(2) 0.11747(19) 0.51297(13) 0.0338(7) Uani 1 1 d . . .
H5WA H 0.816(4) 0.074(3) 0.517(2) 0.050(17) Uiso 1 1 d . . .
H5WB H 0.797(4) 0.150(3) 0.509(2) 0.042(15) Uiso 1 1 d . . .
O6W O 0.6778(2) 0.20389(16) 0.48206(12) 0.0263(6) Uani 1 1 d . . .
H6WA H 0.631(4) 0.225(2) 0.4914(18) 0.029(13) Uiso 1 1 d . . .
H6WB H 0.668(4) 0.164(3) 0.460(2) 0.039(14) Uiso 1 1 d . . .
O7W O 0.8109(3) 0.29794(17) 0.44540(13) 0.0335(7) Uani 1 1 d . . .
H7WA H 0.782(4) 0.264(3) 0.4549(19) 0.032(14) Uiso 1 1 d . . .
H7WB H 0.870(3) 0.289(2) 0.4572(16) 0.012(11) Uiso 1 1 d . . .
O8W O 1.0187(3) 0.28275(16) 0.48044(13) 0.0272(7) Uani 1 1 d . . .
H8WA H 1.028(3) 0.250(3) 0.5031(19) 0.030(13) Uiso 1 1 d . . .
H8WB H 1.067(4) 0.282(3) 0.474(2) 0.044(19) Uiso 1 1 d . . .
O9W O 1.0262(3) 0.41075(18) 0.53398(14) 0.0329(7) Uani 1 1 d . . .
H9WA H 1.025(3) 0.378(3) 0.5181(19) 0.025(13) Uiso 1 1 d . . .
H9WB H 0.976(4) 0.429(2) 0.5375(17) 0.019(12) Uiso 1 1 d . . .
O10W O 1.1398(3) 0.49857(17) 0.47775(13) 0.0262(7) Uani 1 1 d . . .
H10B H 1.110(4) 0.486(2) 0.495(2) 0.023(14) Uiso 1 1 d . . .
H10C H 1.185(4) 0.520(3) 0.489(2) 0.032(15) Uiso 1 1 d . . .
O11W O 1.2378(2) 0.42482(15) 0.40855(12) 0.0240(6) Uani 1 1 d . . .
H11B H 1.217(3) 0.436(2) 0.3788(18) 0.013(11) Uiso 1 1 d . . .
H11C H 1.204(4) 0.449(3) 0.436(2) 0.062(19) Uiso 1 1 d . . .
O12W O 1.4246(2) 0.48071(15) 0.42687(11) 0.0208(6) Uani 1 1 d . . .
H12B H 1.437(4) 0.487(2) 0.399(2) 0.027(13) Uiso 1 1 d . . .
H12C H 1.373(4) 0.473(2) 0.4214(18) 0.021(14) Uiso 1 1 d . . .
O13W O 1.5401(2) 0.41197(15) 0.50259(13) 0.0241(6) Uani 1 1 d . . .
H13B H 1.499(4) 0.427(3) 0.477(2) 0.034(14) Uiso 1 1 d . . .
H13C H 1.544(4) 0.438(3) 0.528(2) 0.034(14) Uiso 1 1 d . . .
O14W O 1.5166(2) 0.26982(17) 0.52015(11) 0.0249(6) Uani 1 1 d . . .
H14B H 1.511(3) 0.305(2) 0.5120(16) 0.009(11) Uiso 1 1 d . . .
H14C H 1.462(4) 0.257(2) 0.5092(18) 0.020(12) Uiso 1 1 d . . .
O15W O 1.3292(2) 0.20927(15) 0.48144(12) 0.0240(6) Uani 1 1 d . . .
H15B H 1.302(3) 0.185(2) 0.5016(16) 0.009(9) Uiso 1 1 d . . .
H15C H 1.297(5) 0.217(3) 0.455(3) 0.08(2) Uiso 1 1 d . . .
O16W O 1.1854(2) 0.28371(15) 0.41847(12) 0.0235(6) Uani 1 1 d . . .
H16B H 1.183(3) 0.276(2) 0.3912(19) 0.018(12) Uiso 1 1 d . . .
H16C H 1.215(5) 0.323(4) 0.418(3) 0.08(2) Uiso 1 1 d . . .
O17W O 1.3787(2) -0.08184(15) 0.56734(13) 0.0239(6) Uani 1 1 d . . .
H17B H 1.351(4) -0.048(3) 0.5475(19) 0.030(13) Uiso 1 1 d . . .
H17C H 1.374(4) -0.074(3) 0.593(2) 0.027(15) Uiso 1 1 d . . .
O18W O 0.7236(3) 0.42330(17) 0.46531(13) 0.0315(7) Uani 1 1 d . . .
H18B H 0.667(5) 0.412(3) 0.475(2) 0.052(17) Uiso 1 1 d . . .
H18C H 0.755(3) 0.384(3) 0.4704(18) 0.029(13) Uiso 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
O2 Ag1 N1 166.09(10) . . ?
O2 Ag1 N2 117.71(11) . . ?
N1 Ag1 N2 72.85(11) . . ?
O2 Ag1 Ag2 83.35(7) . . ?
N1 Ag1 Ag2 84.91(8) . . ?
N2 Ag1 Ag2 156.87(8) . . ?
O2 Ag1 Ag3 61.02(7) . . ?
N1 Ag1 Ag3 122.22(8) . . ?
N2 Ag1 Ag3 123.80(8) . . ?
Ag2 Ag1 Ag3 73.481(10) . . ?
O2 Ag1 Ag4 102.65(7) . . ?
N1 Ag1 Ag4 77.37(8) . . ?
N2 Ag1 Ag4 120.00(8) . . ?
Ag2 Ag1 Ag4 58.809(9) . . ?
Ag3 Ag1 Ag4 45.444(8) . . ?
O1 Ag2 N3 163.90(11) . . ?
O1 Ag2 N4 116.68(11) . . ?
N3 Ag2 N4 73.30(11) . . ?
O1 Ag2 Ag1 83.63(7) . . ?
N3 Ag2 Ag1 84.53(7) . . ?
N4 Ag2 Ag1 156.90(8) . . ?
O1 Ag2 Ag4 76.09(7) . . ?
N3 Ag2 Ag4 110.78(7) . . ?
N4 Ag2 Ag4 120.20(8) . . ?
Ag1 Ag2 Ag4 73.443(10) . . ?
O1 Ag2 Ag3 117.08(7) . . ?
N3 Ag2 Ag3 66.27(7) . . ?
N4 Ag2 Ag3 111.77(8) . . ?
Ag1 Ag2 Ag3 63.019(10) . . ?
Ag4 Ag2 Ag3 45.036(8) . . ?
O4 Ag3 N5 168.01(11) . . ?
O4 Ag3 N6 118.70(11) . . ?
N5 Ag3 N6 73.18(12) . . ?
O4 Ag3 Ag4 82.81(7) . . ?
N5 Ag3 Ag4 85.27(9) . . ?
N6 Ag3 Ag4 158.43(9) . . ?
O4 Ag3 Ag5 73.11(7) . . ?
N5 Ag3 Ag5 103.29(8) . . ?
N6 Ag3 Ag5 118.73(8) . . ?
Ag4 Ag3 Ag5 66.739(10) . . ?
O4 Ag3 Ag1 62.11(7) . . ?
N5 Ag3 Ag1 111.76(8) . . ?
N6 Ag3 Ag1 119.44(8) . . ?
Ag4 Ag3 Ag1 67.297(10) . . ?
Ag5 Ag3 Ag1 118.113(10) . . ?
O4 Ag3 Ag2 102.53(7) . . ?
N5 Ag3 Ag2 69.19(8) . . ?
N6 Ag3 Ag2 114.07(8) . . ?
Ag4 Ag3 Ag2 54.836(9) . . ?
Ag5 Ag3 Ag2 121.340(11) . . ?
Ag1 Ag3 Ag2 43.500(7) . . ?
O4 Ag3 Ag6 112.91(7) . . ?
N5 Ag3 Ag6 61.24(8) . . ?
N6 Ag3 Ag6 109.25(9) . . ?
Ag4 Ag3 Ag6 59.116(9) . . ?
Ag5 Ag3 Ag6 42.681(7) . . ?
Ag1 Ag3 Ag6 126.208(10) . . ?
Ag2 Ag3 Ag6 97.241(10) . . ?
O3 Ag4 N7 168.51(11) . . ?
O3 Ag4 N8 118.16(11) . . ?
N7 Ag4 N8 73.32(11) . . ?
O3 Ag4 Ag3 82.95(8) . . ?
N7 Ag4 Ag3 85.56(8) . . ?
N8 Ag4 Ag3 158.86(7) . . ?
O3 Ag4 Ag2 67.10(7) . . ?
N7 Ag4 Ag2 111.13(7) . . ?
N8 Ag4 Ag2 108.07(7) . . ?
Ag3 Ag4 Ag2 80.128(11) . . ?
O3 Ag4 Ag5 101.30(7) . . ?
N7 Ag4 Ag5 73.01(7) . . ?
N8 Ag4 Ag5 108.57(7) . . ?
Ag3 Ag4 Ag5 62.861(10) . . ?
Ag2 Ag4 Ag5 142.602(12) . . ?
O3 Ag4 Ag6 58.37(7) . . ?
N7 Ag4 Ag6 119.02(7) . . ?
N8 Ag4 Ag6 110.08(7) . . ?
Ag3 Ag4 Ag6 79.074(10) . . ?
Ag2 Ag4 Ag6 123.291(10) . . ?
Ag5 Ag4 Ag6 47.429(8) . . ?
O3 Ag4 Ag1 110.76(8) . . ?
N7 Ag4 Ag1 64.53(7) . . ?
N8 Ag4 Ag1 103.29(7) . . ?
Ag3 Ag4 Ag1 67.258(10) . . ?
Ag2 Ag4 Ag1 47.748(8) . . ?
Ag5 Ag4 Ag1 115.313(11) . . ?
Ag6 Ag4 Ag1 145.992(11) . . ?
O6 Ag5 N9 160.99(10) . . ?
O6 Ag5 N10 116.18(10) . . ?
N9 Ag5 N10 73.76(11) . . ?
O6 Ag5 Ag6 82.70(7) . . ?
N9 Ag5 Ag6 83.89(8) . . ?
N10 Ag5 Ag6 155.46(9) . . ?
O6 Ag5 Ag3 66.99(7) . . ?
N9 Ag5 Ag3 125.31(7) . . ?
N10 Ag5 Ag3 115.21(8) . . ?
Ag6 Ag5 Ag3 85.864(11) . . ?
O6 Ag5 Ag4 112.45(7) . . ?
N9 Ag5 Ag4 75.54(7) . . ?
N10 Ag5 Ag4 111.55(7) . . ?
Ag6 Ag5 Ag4 71.270(10) . . ?
Ag3 Ag5 Ag4 50.401(9) . . ?
O5 Ag6 N11 166.70(10) . . ?
O5 Ag6 N12 116.87(11) . . ?
N11 Ag6 N12 73.51(11) . . ?
O5 Ag6 Ag5 83.52(7) . . ?
N11 Ag6 Ag5 85.26(7) . . ?
N12 Ag6 Ag5 158.26(8) . . ?
O5 Ag6 Ag4 69.01(7) . . ?
N11 Ag6 Ag4 111.40(8) . . ?
N12 Ag6 Ag4 130.88(8) . . ?
Ag5 Ag6 Ag4 61.301(9) . . ?
O5 Ag6 Ag3 107.86(7) . . ?
N11 Ag6 Ag3 70.01(8) . . ?
N12 Ag6 Ag3 122.06(8) . . ?
Ag5 Ag6 Ag3 51.455(9) . . ?
Ag4 Ag6 Ag3 41.810(7) . . ?
C5 N1 C1 119.9(3) . . ?
C5 N1 Ag1 117.6(2) . . ?
C1 N1 Ag1 122.4(2) . . ?
C6 N2 C10 118.4(3) . . ?
C6 N2 Ag1 113.6(2) . . ?
C10 N2 Ag1 126.0(3) . . ?
C11 N3 C15 119.5(3) . . ?
C11 N3 Ag2 123.5(2) . . ?
C15 N3 Ag2 116.9(2) . . ?
C20 N4 C16 119.3(3) . . ?
C20 N4 Ag2 125.1(3) . . ?
C16 N4 Ag2 114.8(2) . . ?
C21 N5 C25 119.9(3) . . ?
C21 N5 Ag3 122.4(3) . . ?
C25 N5 Ag3 117.7(3) . . ?
C30 N6 C26 118.2(4) . . ?
C30 N6 Ag3 126.5(3) . . ?
C26 N6 Ag3 115.2(3) . . ?
C35 N7 C31 120.5(3) . . ?
C35 N7 Ag4 117.6(2) . . ?
C31 N7 Ag4 121.9(2) . . ?
C40 N8 C36 118.6(3) . . ?
C40 N8 Ag4 126.7(2) . . ?
C36 N8 Ag4 114.7(2) . . ?
C41 N9 C45 120.1(3) . . ?
C41 N9 Ag5 123.1(2) . . ?
C45 N9 Ag5 116.6(2) . . ?
C50 N10 C46 118.6(3) . . ?
C50 N10 Ag5 127.2(3) . . ?
C46 N10 Ag5 113.7(2) . . ?
C51 N11 C55 119.3(3) . . ?
C51 N11 Ag6 123.1(2) . . ?
C55 N11 Ag6 117.6(2) . . ?
C60 N12 C56 118.8(3) . . ?
C60 N12 Ag6 125.5(3) . . ?
C56 N12 Ag6 112.3(2) . . ?
C1 O1 Ag2 129.2(2) . . ?
C11 O2 Ag1 128.6(2) . . ?
C21 O3 Ag4 129.1(3) . . ?
C31 O4 Ag3 129.3(2) . . ?
C41 O5 Ag6 129.3(2) . . ?
C51 O6 Ag5 129.8(2) . . ?
O1 C1 N1 119.8(3) . . ?
O1 C1 C2 120.4(3) . . ?
N1 C1 C2 119.8(3) . . ?
C3 C2 C1 119.9(4) . . ?
C2 C3 C4 120.0(4) . . ?
C5 C4 C3 118.6(4) . . ?
N1 C5 C4 121.9(4) . . ?
N1 C5 C6 117.0(3) . . ?
C4 C5 C6 121.2(3) . . ?
N2 C6 C7 121.1(4) . . ?
N2 C6 C5 117.1(3) . . ?
C7 C6 C5 121.8(4) . . ?
C6 C7 C8 119.1(4) . . ?
C9 C8 C7 120.4(4) . . ?
C8 C9 C10 117.5(4) . . ?
N2 C10 C9 123.5(4) . . ?
O2 C11 N3 119.6(3) . . ?
O2 C11 C12 119.4(3) . . ?
N3 C11 C12 120.9(3) . . ?
C13 C12 C11 119.5(3) . . ?
C12 C13 C14 119.7(4) . . ?
C15 C14 C13 119.5(3) . . ?
C14 C15 N3 120.9(3) . . ?
C14 C15 C16 122.0(3) . . ?
N3 C15 C16 117.1(3) . . ?
N4 C16 C17 120.6(3) . . ?
N4 C16 C15 117.2(3) . . ?
C17 C16 C15 122.1(3) . . ?
C16 C17 C18 119.8(4) . . ?
C19 C18 C17 119.3(3) . . ?
C18 C19 C20 117.9(4) . . ?
N4 C20 C19 123.1(4) . . ?
O3 C21 N5 120.2(3) . . ?
O3 C21 C22 119.0(4) . . ?
N5 C21 C22 120.8(4) . . ?
C23 C22 C21 119.3(4) . . ?
C22 C23 C24 119.6(4) . . ?
C23 C24 C25 118.7(4) . . ?
N5 C25 C24 121.6(4) . . ?
N5 C25 C26 116.8(3) . . ?
C24 C25 C26 121.5(4) . . ?
N6 C26 C27 121.8(4) . . ?
N6 C26 C25 117.0(3) . . ?
C27 C26 C25 121.2(4) . . ?
C28 C27 C26 119.0(4) . . ?
C27 C28 C29 119.1(4) . . ?
C28 C29 C30 118.8(5) . . ?
N6 C30 C29 122.9(4) . . ?
O4 C31 N7 120.3(3) . . ?
O4 C31 C32 120.9(3) . . ?
N7 C31 C32 118.8(3) . . ?
C33 C32 C31 120.4(3) . . ?
C32 C33 C34 119.8(3) . . ?
C35 C34 C33 118.6(3) . . ?
N7 C35 C34 121.8(3) . . ?
N7 C35 C36 117.4(3) . . ?
C34 C35 C36 120.8(3) . . ?
N8 C36 C37 120.3(3) . . ?
N8 C36 C35 117.0(3) . . ?
C37 C36 C35 122.7(3) . . ?
C38 C37 C36 119.9(3) . . ?
C37 C38 C39 119.4(4) . . ?
C40 C39 C38 118.3(4) . . ?
N8 C40 C39 123.4(3) . . ?
O5 C41 N9 119.0(3) . . ?
O5 C41 C42 120.5(3) . . ?
N9 C41 C42 120.5(3) . . ?
C43 C42 C41 118.5(4) . . ?
C42 C43 C44 120.7(4) . . ?
C43 C44 C45 119.0(3) . . ?
N9 C45 C44 121.1(3) . . ?
N9 C45 C46 117.2(3) . . ?
C44 C45 C46 121.7(3) . . ?
N10 C46 C47 119.8(3) . . ?
N10 C46 C45 118.1(3) . . ?
C47 C46 C45 122.0(3) . . ?
C48 C47 C46 120.9(4) . . ?
C47 C48 C49 118.7(3) . . ?
C50 C49 C48 117.2(4) . . ?
N10 C50 C49 124.7(4) . . ?
O6 C51 N11 119.1(3) . . ?
O6 C51 C52 120.0(3) . . ?
N11 C51 C52 120.9(3) . . ?
C53 C52 C51 118.6(4) . . ?
C54 C53 C52 120.2(3) . . ?
C53 C54 C55 119.7(3) . . ?
C54 C55 N11 121.2(3) . . ?
C54 C55 C56 122.0(3) . . ?
N11 C55 C56 116.8(3) . . ?
N12 C56 C57 120.9(3) . . ?
N12 C56 C55 117.8(3) . . ?
C57 C56 C55 121.2(3) . . ?
C58 C57 C56 118.8(4) . . ?
C57 C58 C59 119.8(4) . . ?
C60 C59 C58 118.6(4) . . ?
N12 C60 C59 123.1(4) . . ?
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 O2 2.174(3) . ?
Ag1 N1 2.243(3) . ?
Ag1 N2 2.357(3) . ?
Ag1 Ag2 2.7451(4) . ?
Ag1 Ag3 3.5538(4) . ?
Ag1 Ag4 3.5548(4) . ?
Ag2 O1 2.170(3) . ?
Ag2 N3 2.233(3) . ?
Ag2 N4 2.330(3) . ?
Ag2 Ag4 3.1725(4) . ?
Ag2 Ag3 3.8233(4) . ?
Ag3 O4 2.181(3) . ?
Ag3 N5 2.239(3) . ?
Ag3 N6 2.341(3) . ?
Ag3 Ag4 2.7458(4) . ?
Ag3 Ag5 3.1712(4) . ?
Ag3 Ag6 4.0441(4) . ?
Ag4 O3 2.170(2) . ?
Ag4 N7 2.231(3) . ?
Ag4 N8 2.329(3) . ?
Ag4 Ag5 3.2739(4) . ?
Ag4 Ag6 3.5347(4) . ?
Ag5 O6 2.164(2) . ?
Ag5 N9 2.244(3) . ?
Ag5 N10 2.336(3) . ?
Ag5 Ag6 2.7487(4) . ?
Ag6 O5 2.157(3) . ?
Ag6 N11 2.212(3) . ?
Ag6 N12 2.371(3) . ?
N1 C5 1.352(4) . ?
N1 C1 1.365(5) . ?
N2 C6 1.339(5) . ?
N2 C10 1.344(5) . ?
N3 C11 1.338(5) . ?
N3 C15 1.384(4) . ?
N4 C20 1.324(5) . ?
N4 C16 1.347(5) . ?
N5 C21 1.333(6) . ?
N5 C25 1.354(5) . ?
N6 C30 1.311(6) . ?
N6 C26 1.326(5) . ?
N7 C35 1.356(4) . ?
N7 C31 1.361(5) . ?
N8 C40 1.347(5) . ?
N8 C36 1.350(4) . ?
N9 C41 1.354(5) . ?
N9 C45 1.362(4) . ?
N10 C50 1.331(5) . ?
N10 C46 1.343(5) . ?
N11 C51 1.355(5) . ?
N11 C55 1.376(4) . ?
N12 C60 1.337(5) . ?
N12 C56 1.343(5) . ?
O1 C1 1.301(4) . ?
O2 C11 1.309(4) . ?
O3 C21 1.315(5) . ?
O4 C31 1.293(4) . ?
O5 C41 1.297(4) . ?
O6 C51 1.304(4) . ?
C1 C2 1.402(5) . ?
C2 C3 1.365(5) . ?
C3 C4 1.394(6) . ?
C4 C5 1.378(5) . ?
C5 C6 1.500(6) . ?
C6 C7 1.384(5) . ?
C7 C8 1.386(6) . ?
C8 C9 1.354(7) . ?
C9 C10 1.384(5) . ?
C11 C12 1.421(5) . ?
C12 C13 1.360(5) . ?
C13 C14 1.396(6) . ?
C14 C15 1.381(5) . ?
C15 C16 1.477(5) . ?
C16 C17 1.387(5) . ?
C17 C18 1.390(6) . ?
C18 C19 1.368(6) . ?
C19 C20 1.398(5) . ?
C21 C22 1.414(5) . ?
C22 C23 1.375(6) . ?
C23 C24 1.380(7) . ?
C24 C25 1.396(6) . ?
C25 C26 1.518(6) . ?
C26 C27 1.388(5) . ?
C27 C28 1.352(7) . ?
C28 C29 1.354(7) . ?
C29 C30 1.378(6) . ?
C31 C32 1.414(5) . ?
C32 C33 1.365(5) . ?
C33 C34 1.393(5) . ?
C34 C35 1.379(5) . ?
C35 C36 1.485(5) . ?
C36 C37 1.394(5) . ?
C37 C38 1.372(5) . ?
C38 C39 1.377(6) . ?
C39 C40 1.362(5) . ?
C41 C42 1.410(5) . ?
C42 C43 1.376(5) . ?
C43 C44 1.380(6) . ?
C44 C45 1.383(5) . ?
C45 C46 1.494(5) . ?
C46 C47 1.398(5) . ?
C47 C48 1.377(6) . ?
C48 C49 1.384(6) . ?
C49 C50 1.378(5) . ?
C51 C52 1.412(5) . ?
C52 C53 1.384(5) . ?
C53 C54 1.372(5) . ?
C54 C55 1.376(5) . ?
C55 C56 1.487(5) . ?
C56 C57 1.409(5) . ?
C57 C58 1.367(6) . ?
C58 C59 1.374(6) . ?
C59 C60 1.369(5) . ?
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
O1W H1WA O17W 0.92(7) 2.03(7) 2.940(5) 168(6) 3_856
O1W H1WB O15W 0.72(7) 2.21(7) 2.880(5) 155(7) .
O2W H2WA O1W 0.85 2.11 2.827(4) 142.3 .
O2W H2WB O3W 0.79(5) 1.99(5) 2.774(4) 168(5) .
O3W H3WA O4 0.90(5) 1.80(5) 2.655(4) 157(4) .
O3W H3WB O4W 0.80(5) 2.07(5) 2.803(4) 153(5) .
O4W H4WA O2 0.84(5) 1.88(5) 2.700(4) 164(5) .
O4W H4WB O5W 0.84(5) 1.98(5) 2.800(5) 165(4) .
O5W H5WA O2W 0.90(6) 2.04(6) 2.889(5) 156(5) 3_756
O5W H5WB O6W 0.86(6) 2.00(6) 2.830(5) 161(5) .
O6W H6WA O14W 0.82(5) 2.00(5) 2.820(4) 175(5) 1_455
O6W H6WB O17W 0.96(5) 1.83(5) 2.763(4) 162(4) 3_756
O7W H7WA O6W 0.82(5) 2.02(5) 2.810(4) 161(5) .
O7W H7WB O8W 0.86(5) 2.08(5) 2.933(5) 171(4) .
O8W H8WA O4W 0.87(5) 1.93(5) 2.788(4) 168(5) .
O8W H8WB O16W 0.70(6) 2.29(6) 2.934(4) 153(6) .
O9W H9WA O8W 0.75(5) 2.09(5) 2.837(5) 174(5) .
O9W H9WB O10W 0.79(5) 2.13(5) 2.869(5) 156(4) 3_766
O10W H10B O9W 0.67(5) 2.18(5) 2.814(5) 159(5) .
O10W H10C O18W 0.79(5) 1.98(6) 2.740(5) 164(5) 3_766
O11W H11B O3 0.84(5) 1.88(5) 2.691(4) 165(4) 4_565
O11W H11C O10W 1.00(6) 1.76(6) 2.757(4) 172(5) .
O12W H12B O5 0.78(5) 1.93(6) 2.697(4) 172(5) 4_565
O12W H12C O11W 0.72(5) 2.08(5) 2.787(4) 166(5) .
O13W H13B O12W 0.89(5) 1.89(6) 2.763(4) 165(5) .
O13W H13C O12W 0.84(5) 1.98(5) 2.788(4) 161(5) 3_866
O14W H14B O13W 0.72(4) 2.12(4) 2.803(4) 160(5) .
O14W H14C O15W 0.81(5) 2.11(5) 2.923(5) 172(4) .
O15W H15B O3W 0.83(4) 2.02(4) 2.835(4) 171(4) .
O15W H15C O16W 0.80(7) 2.16(7) 2.844(4) 144(6) .
O16W H16B O1 0.73(5) 2.03(5) 2.763(4) 178(5) 4_565
O16W H16C O11W 0.87(7) 2.00(7) 2.833(4) 160(7) .
O17W H17B O2W 0.90(5) 1.89(5) 2.771(4) 167(5) .
O17W H17C O6 0.70(5) 2.06(5) 2.731(4) 160(6) .
O18W H18B O13W 0.86(6) 1.96(6) 2.800(4) 164(5) 1_455
O18W H18C O7W 0.88(5) 1.96(5) 2.771(5) 152(4) .
