#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/14/4001449.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_4001449
loop_
_publ_author_name
'Zhang, Xue-Li'
'Guo, Cui-Ping'
'Yang, Qing-Yuan'
'Lu, Tong-Bu'
'Tong, Ye-Xiang'
'Su, Cheng-Yong'
_publ_section_title
;
 Discrete Chiral Single-Crystal Microtubes Assembled with Honeycomb
 Coordination Networks Showing Structural Diversity and Borromean Topology
 in One Single Crystal
;
_journal_issue                   19
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4630
_journal_paper_doi               10.1021/cm071767u
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'C221 H192 Ag5 Cl0 F15 N24 O15 S5'
_chemical_formula_weight         4408.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   17.9074(4)
_cell_length_b                   17.9074(4)
_cell_length_c                   38.5402(17)
_cell_measurement_reflns_used    5726
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      61.6140
_cell_measurement_theta_min      2.2888
_cell_volume                     10703.1(6)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Gemini S Ultra'
_diffrn_measurement_method       'ω and π scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0670
_diffrn_reflns_av_sigmaI/netI    0.0572
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            29583
_diffrn_reflns_theta_full        61.86
_diffrn_reflns_theta_max         61.86
_diffrn_reflns_theta_min         4.94
_exptl_absorpt_coefficient_mu    4.709
_exptl_absorpt_correction_T_max  0.3978
_exptl_absorpt_correction_T_min  0.3141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Tubular
_exptl_crystal_F_000             4512
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.553
_refine_diff_density_min         -0.442
_refine_diff_density_rms         0.075
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     599
_refine_ls_number_reflns         5505
_refine_ls_number_restraints     679
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.1115
_refine_ls_R_factor_gt           0.0757
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0340P)²+28.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1649
_refine_ls_wR_factor_ref         0.1791
_reflns_number_gt                2991
_reflns_number_total             5505
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm071767u-file001.cif
_cod_data_source_block           lamed-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P6(3)22
_cod_database_code               4001449
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -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 0.3333 0.6667 0.60966(2) 0.1039(3) Uani 1 3 d S . .
Ag2 Ag 0.14225(3) 0.28450(6) 0.7500 0.1352(3) Uani 1 2 d S . .
N1 N 0.3050(3) 0.5315(3) 0.60633(15) 0.0874(18) Uani 1 1 d . . .
N2 N 0.2826(3) 0.4092(3) 0.58180(15) 0.0832(17) Uani 1 1 d . . .
N3 N 0.1281(3) 0.2873(4) 0.69732(15) 0.104(2) Uani 1 1 d . . .
N4 N 0.1009(3) 0.3222(3) 0.64603(17) 0.0958(18) Uani 1 1 d . . .
C1 C 0.2813(3) 0.4848(4) 0.5764(2) 0.090(2) Uani 1 1 d . . .
C2 C 0.3192(3) 0.4851(4) 0.63031(17) 0.079(2) Uani 1 1 d . . .
C3 C 0.3448(4) 0.5063(5) 0.6640(2) 0.107(3) Uani 1 1 d . . .
H3A H 0.3532 0.5581 0.6744 0.128 Uiso 1 1 calc R . .
C4 C 0.3582(4) 0.4431(6) 0.6827(2) 0.122(3) Uani 1 1 d . . .
H4A H 0.3779 0.4542 0.7061 0.146 Uiso 1 1 calc R . .
C5 C 0.3423(5) 0.3650(5) 0.6665(2) 0.126(3) Uani 1 1 d . . .
H5A H 0.3462 0.3224 0.6798 0.151 Uiso 1 1 calc R . .
C6 C 0.3220(4) 0.3507(5) 0.63315(18) 0.093(2) Uani 1 1 d . . .
H6A H 0.3173 0.3017 0.6216 0.112 Uiso 1 1 calc R . .
C7 C 0.3082(3) 0.4098(4) 0.61625(19) 0.084(2) Uani 1 1 d . . .
C8 C 0.2577(5) 0.5102(4) 0.54295(15) 0.0926(19) Uani 1 1 d . . .
H8A H 0.2571 0.4723 0.5241 0.111 Uiso 1 1 calc R . .
H8B H 0.3018 0.5702 0.5371 0.111 Uiso 1 1 calc R . .
C9 C 0.1701(4) 0.5035(4) 0.54513(18) 0.091(2) Uani 1 1 d . . .
H9A H 0.1570 0.5214 0.5230 0.137 Uiso 1 1 calc R . .
H9B H 0.1706 0.5411 0.5637 0.137 Uiso 1 1 calc R . .
H9C H 0.1261 0.4437 0.5501 0.137 Uiso 1 1 calc R . .
C10 C 0.2692(3) 0.3434(4) 0.55489(18) 0.0858(19) Uani 1 1 d U . .
H10A H 0.2521 0.3583 0.5327 0.103 Uiso 1 1 calc R . .
H10B H 0.2224 0.2860 0.5623 0.103 Uiso 1 1 calc R . .
C11 C 0.3535(3) 0.3410(4) 0.54989(16) 0.0858(19) Uani 1 1 d DU . .
C12 C 0.4307(4) 0.4173(4) 0.54551(14) 0.108(2) Uani 1 1 d DU . .
H12A H 0.4318 0.4709 0.5444 0.129 Uiso 1 1 calc R . .
C13 C 0.5069(4) 0.4141(4) 0.54271(16) 0.104(2) Uani 1 1 d DU . .
H13A H 0.5600 0.4665 0.5399 0.124 Uiso 1 1 calc R . .
C14 C 0.5075(3) 0.3381(4) 0.54391(16) 0.0729(16) Uani 1 1 d DU . .
C15 C 0.4297(4) 0.2636(4) 0.54692(19) 0.095(2) Uani 1 1 d DU . .
H15A H 0.4267 0.2090 0.5467 0.114 Uiso 1 1 calc R . .
C16 C 0.3525(4) 0.2693(4) 0.5504(2) 0.102(2) Uani 1 1 d DU . .
H16A H 0.2988 0.2177 0.5531 0.122 Uiso 1 1 calc R . .
C17 C 0.5897(3) 0.3349(4) 0.54330(15) 0.0659(16) Uani 1 1 d DU . .
C18 C 0.5891(3) 0.2576(4) 0.54215(14) 0.0618(15) Uani 1 1 d DU . .
H18A H 0.5356 0.2053 0.5405 0.074 Uiso 1 1 calc R . .
C19 C 0.1167(4) 0.3420(4) 0.6803(2) 0.090(2) Uani 1 1 d U . .
C20 C 0.1214(4) 0.2241(4) 0.67296(19) 0.094(2) Uani 1 1 d U . .
C21 C 0.1335(4) 0.1548(5) 0.6769(2) 0.113(3) Uani 1 1 d U . .
H21A H 0.1464 0.1411 0.6991 0.135 Uiso 1 1 calc R . .
C22 C 0.1274(5) 0.1085(6) 0.6503(3) 0.131(3) Uani 1 1 d U . .
H22A H 0.1366 0.0609 0.6530 0.157 Uiso 1 1 calc R . .
C23 C 0.1080(5) 0.1272(5) 0.6186(3) 0.129(3) Uani 1 1 d U . .
H23A H 0.1045 0.0913 0.5998 0.155 Uiso 1 1 calc R . .
C24 C 0.0923(5) 0.1968(4) 0.6112(2) 0.104(2) Uani 1 1 d U . .
H24 H 0.0777 0.2083 0.5889 0.125 Uiso 1 1 calc R . .
C25 C 0.1013(3) 0.2451(4) 0.6407(2) 0.090(2) Uani 1 1 d U . .
C26 C 0.1205(5) 0.4223(5) 0.6944(2) 0.116(2) Uani 1 1 d U . .
H26A H 0.1276 0.4615 0.6749 0.139 Uiso 1 1 calc R . .
H26B H 0.1711 0.4527 0.7098 0.139 Uiso 1 1 calc R . .
C27 C 0.0393(5) 0.4010(5) 0.7144(2) 0.131(3) Uani 1 1 d U . .
H27A H 0.0447 0.4540 0.7242 0.197 Uiso 1 1 calc R . .
H27B H 0.0311 0.3608 0.7332 0.197 Uiso 1 1 calc R . .
H27C H -0.0105 0.3744 0.6987 0.197 Uiso 1 1 calc R . .
C28 C 0.0837(4) 0.3689(4) 0.6194(2) 0.094(2) Uani 1 1 d U . .
H28A H 0.0880 0.3469 0.5964 0.113 Uiso 1 1 calc R . .
H28B H 0.1285 0.4306 0.6206 0.113 Uiso 1 1 calc R . .
C29 C -0.0054(4) 0.3610(4) 0.62281(17) 0.091(2) Uani 1 1 d DU . .
C30 C -0.0126(4) 0.4307(4) 0.62295(15) 0.116(3) Uani 1 1 d DU . .
H30A H 0.0369 0.4862 0.6205 0.140 Uiso 1 1 calc R . .
C31 C -0.0949(4) 0.4213(4) 0.62683(17) 0.120(3) Uani 1 1 d DU . .
H31A H -0.0994 0.4719 0.6259 0.144 Uiso 1 1 calc R . .
C32 C -0.1663(3) 0.3471(4) 0.63165(16) 0.0734(17) Uani 1 1 d DU . .
C33 C -0.1545(4) 0.2784(5) 0.6305(2) 0.129(3) Uani 1 1 d DU . .
H33A H -0.2036 0.2226 0.6331 0.154 Uiso 1 1 calc R . .
C34 C -0.0752(4) 0.2850(5) 0.6259(3) 0.133(3) Uani 1 1 d DU . .
H34A H -0.0709 0.2343 0.6250 0.160 Uiso 1 1 calc R . .
C35 C -0.2519(3) 0.3406(4) 0.63359(15) 0.0672(17) Uani 1 1 d DU . .
C36 C -0.3260(3) 0.2612(4) 0.63514(15) 0.0693(17) Uani 1 1 d DU . .
H36A H -0.3210 0.2110 0.6374 0.083 Uiso 1 1 calc R . .
S2 S 0.2881(4) 0.1377(5) 0.7451(2) 0.196(3) Uani 0.25 1 d PDU A -1
C39 C 0.3812(6) 0.1725(7) 0.7731(3) 0.331(4) Uani 0.25 1 d PDU A -1
F6 F 0.3556(11) 0.1403(10) 0.8047(3) 0.337(5) Uani 0.25 1 d PDU A -1
F5 F 0.4197(12) 0.2577(8) 0.7758(5) 0.334(5) Uani 0.25 1 d PDU A -1
F4 F 0.4350(8) 0.1506(11) 0.7617(6) 0.324(5) Uani 0.25 1 d PDU A -1
O4 O 0.2449(10) 0.0405(7) 0.7509(5) 0.197(5) Uani 0.25 1 d PDU A -1
O5 O 0.2498(7) 0.1870(8) 0.7652(4) 0.145(4) Uani 0.25 1 d PDU A -1
O6 O 0.3352(12) 0.1764(11) 0.7108(3) 0.204(5) Uani 0.25 1 d PDU A -1
S1 S -0.0058(4) 0.2527(3) 0.50789(15) 0.1193(18) Uani 0.30 1 d PDU B -1
O3 O 0.0819(5) 0.2942(7) 0.5282(3) 0.110(3) Uani 0.33 1 d PDU B -1
O2 O 0.0193(8) 0.2802(9) 0.4700(3) 0.092(3) Uani 0.23 1 d PDU B -1
O1 O -0.0563(6) 0.2906(7) 0.5237(3) 0.102(3) Uani 0.33 1 d PDU B -1
C38 C -0.0442(7) 0.1471(5) 0.5090(3) 0.175(3) Uani 0.33 1 d PDU B -1
F3 F -0.0422(10) 0.1149(8) 0.5395(3) 0.207(5) Uani 0.33 1 d PDU B -1
F2 F -0.1183(7) 0.0897(9) 0.4924(4) 0.210(4) Uani 0.33 1 d PDU B -1
F1 F 0.0138(7) 0.1296(8) 0.4874(3) 0.183(4) Uani 0.33 1 d PDU B -1
S3 S 0.2935(4) 0.6324(4) 0.73682(12) 0.109(2) Uani 0.25 1 d PDU C -1
O9 O 0.2134(5) 0.6243(8) 0.7527(4) 0.098(4) Uani 0.25 1 d PDU C -1
O8 O 0.3113(7) 0.5617(6) 0.7468(4) 0.105(4) Uani 0.25 1 d PDU C -1
O7 O 0.3090(7) 0.6598(12) 0.7004(2) 0.091(4) Uani 0.25 1 d PDU C -1
F9 F 0.3720(10) 0.7023(11) 0.7939(3) 0.235(5) Uani 0.25 1 d PDU C -1
C40 C 0.3749(7) 0.7231(7) 0.7602(3) 0.234(4) Uani 0.25 1 d PDU C -1
F8 F 0.3594(9) 0.7889(7) 0.7580(5) 0.229(5) Uani 0.25 1 d PDU C -1
F7 F 0.4532(7) 0.7479(12) 0.7478(6) 0.236(5) Uani 0.25 1 d PDU C -1
O2' O 0.058(2) 0.238(3) 0.4674(10) 0.075(5) Uani 0.10 1 d PU D 2
S1' S 0.0000 0.297(3) 0.5000 0.104(3) Uani 0.07 2 d SPU E 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
N1 Ag1 N1 119.67(3) 3_565 2_665
N1 Ag1 N1 119.67(3) 3_565 .
N1 Ag1 N1 119.67(3) 2_665 .
N3 Ag2 N3 177.6(3) 11_556 .
C2 N1 C1 107.4(6) . .
C2 N1 Ag1 128.5(4) . .
C1 N1 Ag1 123.4(5) . .
C1 N2 C7 107.4(6) . .
C1 N2 C10 126.4(6) . .
C7 N2 C10 125.9(6) . .
C19 N3 C20 106.7(6) . .
C19 N3 Ag2 126.6(5) . .
C20 N3 Ag2 126.5(5) . .
C19 N4 C25 107.1(6) . .
C19 N4 C28 127.9(6) . .
C25 N4 C28 125.0(6) . .
N1 C1 N2 108.8(6) . .
N1 C1 C8 126.3(6) . .
N2 C1 C8 124.9(6) . .
N1 C2 C3 128.4(7) . .
N1 C2 C7 110.8(6) . .
C3 C2 C7 120.8(7) . .
C2 C3 C4 114.6(8) . .
C2 C3 H3A 122.7 . .
C4 C3 H3A 122.7 . .
C5 C4 C3 121.0(7) . .
C5 C4 H4A 119.5 . .
C3 C4 H4A 119.5 . .
C6 C5 C4 121.1(8) . .
C6 C5 H5A 119.5 . .
C4 C5 H5A 119.5 . .
C5 C6 C7 116.8(8) . .
C5 C6 H6A 121.6 . .
C7 C6 H6A 121.6 . .
C6 C7 C2 125.4(7) . .
C6 C7 N2 129.0(7) . .
C2 C7 N2 105.5(6) . .
C1 C8 C9 111.5(5) . .
C1 C8 H8A 109.3 . .
C9 C8 H8A 109.3 . .
C1 C8 H8B 109.3 . .
C9 C8 H8B 109.3 . .
H8A C8 H8B 108.0 . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N2 C10 C11 109.6(5) . .
N2 C10 H10A 109.8 . .
C11 C10 H10A 109.8 . .
N2 C10 H10B 109.8 . .
C11 C10 H10B 109.8 . .
H10A C10 H10B 108.2 . .
C16 C11 C12 120.0(6) . .
C16 C11 C10 120.3(5) . .
C12 C11 C10 119.6(6) . .
C11 C12 C13 118.8(7) . .
C11 C12 H12A 120.6 . .
C13 C12 H12A 120.6 . .
C14 C13 C12 122.1(5) . .
C14 C13 H13A 118.9 . .
C12 C13 H13A 118.9 . .
C13 C14 C15 117.6(6) . .
C13 C14 C17 122.2(5) . .
C15 C14 C17 120.1(6) . .
C14 C15 C16 118.7(6) . .
C14 C15 H15A 120.6 . .
C16 C15 H15A 120.6 . .
C11 C16 C15 122.6(5) . .
C11 C16 H16A 118.7 . .
C15 C16 H16A 118.7 . .
C18 C17 C18 118.4(6) . 3_665
C18 C17 C14 121.5(5) . .
C18 C17 C14 120.0(6) 3_665 .
C17 C18 C17 121.4(6) . 2_655
C17 C18 H18A 119.3 . .
C17 C18 H18A 119.3 2_655 .
N3 C19 N4 113.1(7) . .
N3 C19 C26 126.8(7) . .
N4 C19 C26 120.1(7) . .
C21 C20 C25 121.4(7) . .
C21 C20 N3 131.0(7) . .
C25 C20 N3 107.6(6) . .
C22 C21 C20 119.7(9) . .
C22 C21 H21A 120.2 . .
C20 C21 H21A 120.2 . .
C21 C22 C23 120.5(10) . .
C21 C22 H22A 119.8 . .
C23 C22 H22A 119.8 . .
C22 C23 C24 125.4(9) . .
C22 C23 H23A 117.3 . .
C24 C23 H23A 117.3 . .
C25 C24 C23 111.3(8) . .
C25 C24 H24 124.4 . .
C23 C24 H24 124.4 . .
C24 C25 C20 121.8(7) . .
C24 C25 N4 132.6(7) . .
C20 C25 N4 105.4(6) . .
C19 C26 C27 111.3(6) . .
C19 C26 H26A 109.4 . .
C27 C26 H26A 109.4 . .
C19 C26 H26B 109.4 . .
C27 C26 H26B 109.4 . .
H26A C26 H26B 108.0 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N4 C28 C29 113.4(5) . .
N4 C28 H28A 108.9 . .
C29 C28 H28A 108.9 . .
N4 C28 H28B 108.9 . .
C29 C28 H28B 108.9 . .
H28A C28 H28B 107.7 . .
C34 C29 C30 119.2(7) . .
C34 C29 C28 120.6(7) . .
C30 C29 C28 120.2(5) . .
C29 C30 C31 118.8(6) . .
C29 C30 H30A 120.6 . .
C31 C30 H30A 120.6 . .
C32 C31 C30 124.5(7) . .
C32 C31 H31A 117.7 . .
C30 C31 H31A 117.7 . .
C31 C32 C33 113.6(6) . .
C31 C32 C35 122.1(6) . .
C33 C32 C35 123.9(5) . .
C32 C33 C34 123.4(7) . .
C32 C33 H33A 118.3 . .
C34 C33 H33A 118.3 . .
C29 C34 C33 120.4(8) . .
C29 C34 H34A 119.8 . .
C33 C34 H34A 119.8 . .
C36 C35 C36 117.3(7) . 2_565
C36 C35 C32 120.6(6) . .
C36 C35 C32 122.1(5) 2_565 .
C35 C36 C35 122.3(7) . 3_455
C35 C36 H36A 118.8 . .
C35 C36 H36A 118.8 3_455 .
O4 S2 O6 119.6(9) . .
O4 S2 O5 117.0(8) . .
O6 S2 O5 117.9(10) . .
O4 S2 C39 99.1(9) . .
O6 S2 C39 98.9(8) . .
O5 S2 C39 95.5(7) . .
F4 C39 F6 109.3(13) . .
F4 C39 F5 109.8(11) . .
F6 C39 F5 107.2(12) . .
F4 C39 S2 113.0(11) . .
F6 C39 S2 109.8(9) . .
F5 C39 S2 107.5(12) . .
O1 S1 O2 112.7(8) . .
O1 S1 O3 105.6(6) . .
O2 S1 O3 105.0(6) . .
O1 S1 C38 120.3(7) . .
O2 S1 C38 106.2(7) . .
O3 S1 C38 105.9(7) . .
F3 C38 F2 108.6(10) . .
F3 C38 F1 103.4(12) . .
F2 C38 F1 95.6(10) . .
F3 C38 S1 115.8(9) . .
F2 C38 S1 122.6(11) . .
F1 C38 S1 106.9(8) . .
O7 S3 O9 115.7(8) . .
O7 S3 O8 116.3(9) . .
O9 S3 O8 114.2(7) . .
O7 S3 C40 104.2(7) . .
O9 S3 C40 100.8(7) . .
O8 S3 C40 102.5(7) . .
F7 C40 F8 109.3(11) . .
F7 C40 F9 109.1(12) . .
F8 C40 F9 107.8(13) . .
F7 C40 S3 111.5(12) . .
F8 C40 S3 109.6(10) . .
F9 C40 S3 109.5(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.215(6) 3_565
Ag1 N1 2.215(6) 2_665
Ag1 N1 2.215(6) .
Ag2 N3 2.050(6) 11_556
Ag2 N3 2.050(6) .
N1 C2 1.348(9) .
N1 C1 1.360(9) .
N2 C1 1.382(9) .
N2 C7 1.403(8) .
N2 C10 1.496(8) .
N3 C19 1.277(9) .
N3 C20 1.428(9) .
N4 C19 1.359(9) .
N4 C25 1.400(9) .
N4 C28 1.449(9) .
C1 C8 1.498(9) .
C2 C3 1.367(10) .
C2 C7 1.373(10) .
C3 C4 1.461(12) .
C3 H3A 0.9500 .
C4 C5 1.424(13) .
C4 H4A 0.9500 .
C5 C6 1.327(11) .
C5 H5A 0.9500 .
C6 C7 1.367(10) .
C6 H6A 0.9500 .
C8 C9 1.514(11) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.543(8) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C16 1.275(10) .
C11 C12 1.385(8) .
C12 C13 1.399(10) .
C12 H12A 0.9500 .
C13 C14 1.367(9) .
C13 H13A 0.9500 .
C14 C15 1.369(7) .
C14 C17 1.502(8) .
C15 C16 1.444(10) .
C15 H15A 0.9500 .
C16 H16A 0.9500 .
C17 C18 1.380(8) .
C17 C18 1.387(7) 3_665
C18 C17 1.387(7) 2_655
C18 H18A 0.9500 .
C19 C26 1.508(11) .
C20 C21 1.371(11) .
C20 C25 1.396(10) .
C21 C22 1.287(12) .
C21 H21A 0.9500 .
C22 C23 1.357(14) .
C22 H22A 0.9500 .
C23 C24 1.438(12) .
C23 H23A 0.9500 .
C24 C25 1.391(10) .
C24 H24 0.9500 .
C26 C27 1.516(11) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C29 1.535(9) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C34 1.315(9) .
C29 C30 1.317(10) .
C30 C31 1.406(10) .
C30 H30A 0.9500 .
C31 C32 1.316(8) .
C31 H31A 0.9500 .
C32 C33 1.348(11) .
C32 C35 1.480(8) .
C33 C34 1.378(11) .
C33 H33A 0.9500 .
C34 H34A 0.9500 .
C35 C36 1.379(7) .
C35 C36 1.386(8) 2_565
C36 C35 1.386(8) 3_455
C36 H36A 0.9500 .
S2 O4 1.527(13) .
S2 O6 1.534(13) .
S2 O5 1.568(14) .
S2 C39 1.816(11) .
C39 F4 1.285(16) .
C39 F6 1.325(14) .
C39 F5 1.328(15) .
S1 O1 1.505(11) .
S1 O2 1.533(11) .
S1 O3 1.569(10) .
S1 C38 1.658(10) .
C38 F3 1.319(13) .
C38 F2 1.364(13) .
C38 F1 1.481(14) .
S3 O7 1.466(10) .
S3 O9 1.498(11) .
S3 O8 1.501(12) .
S3 C40 1.791(10) .
F9 C40 1.346(14) .
C40 F7 1.331(16) .
C40 F8 1.341(16) .
