#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/14/4001448.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_4001448
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                   17.9391(3)
_cell_length_b                   17.9391(3)
_cell_length_c                   38.4446(13)
_cell_measurement_reflns_used    4584
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      62.0893
_cell_measurement_theta_min      2.8411
_cell_volume                     10714.4(4)
_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  0.0464
_diffrn_reflns_av_sigmaI/netI    0.0604
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            30788
_diffrn_reflns_theta_full        62.23
_diffrn_reflns_theta_max         62.23
_diffrn_reflns_theta_min         4.93
_exptl_absorpt_coefficient_mu    4.704
_exptl_absorpt_correction_T_max  0.5195
_exptl_absorpt_correction_T_min  0.3740
_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    1.367
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4512
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.583
_refine_diff_density_min         -0.439
_refine_diff_density_rms         0.064
_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   1.010
_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     599
_refine_ls_number_reflns         5570
_refine_ls_number_restraints     679
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1121
_refine_ls_R_factor_gt           0.0678
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0340P)²+22.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1449
_refine_ls_wR_factor_ref         0.1587
_reflns_number_gt                2576
_reflns_number_total             5570
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm071767u-file001.cif
_cod_data_source_block           delta-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               4001448
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 0.6667 0.3333 0.39071(2) 0.1021(3) Uani 1 3 d S . .
Ag2 Ag 0.85750(3) 0.71499(5) 0.2500 0.1234(3) Uani 1 2 d S . .
N1 N 0.6960(3) 0.4692(3) 0.39385(14) 0.0853(17) Uani 1 1 d . . .
N2 N 0.7174(2) 0.5908(3) 0.41864(14) 0.0756(16) Uani 1 1 d . . .
N3 N 0.8694(3) 0.7125(3) 0.30353(14) 0.0965(18) Uani 1 1 d . . .
N4 N 0.9010(3) 0.6796(3) 0.35423(16) 0.0938(18) Uani 1 1 d . . .
C1 C 0.7186(3) 0.5139(4) 0.4233(2) 0.090(2) Uani 1 1 d . . .
C2 C 0.6796(3) 0.5146(4) 0.37002(17) 0.077(2) Uani 1 1 d . . .
C3 C 0.6539(4) 0.4938(5) 0.3364(2) 0.102(3) Uani 1 1 d . . .
H3A H 0.6456 0.4420 0.3261 0.122 Uiso 1 1 calc R . .
C4 C 0.6400(4) 0.5560(6) 0.3171(2) 0.129(4) Uani 1 1 d . . .
H4A H 0.6214 0.5460 0.2935 0.155 Uiso 1 1 calc R . .
C5 C 0.6558(4) 0.6345(5) 0.3353(3) 0.140(4) Uani 1 1 d . . .
H5A H 0.6487 0.6763 0.3229 0.167 Uiso 1 1 calc R . .
C6 C 0.6786(4) 0.6491(5) 0.36730(17) 0.089(2) Uani 1 1 d . . .
H6A H 0.6866 0.6997 0.3786 0.106 Uiso 1 1 calc R . .
C7 C 0.6912(3) 0.5895(4) 0.38480(19) 0.080(2) Uani 1 1 d . . .
C8 C 0.7405(4) 0.4890(4) 0.45747(15) 0.0876(18) Uani 1 1 d . . .
H8A H 0.6959 0.4295 0.4636 0.105 Uiso 1 1 calc R . .
H8B H 0.7420 0.5279 0.4760 0.105 Uiso 1 1 calc R . .
C9 C 0.8307(4) 0.4949(4) 0.45473(18) 0.096(2) Uani 1 1 d . . .
H9A H 0.8442 0.4770 0.4768 0.144 Uiso 1 1 calc R . .
H9B H 0.8750 0.5544 0.4496 0.144 Uiso 1 1 calc R . .
H9C H 0.8293 0.4570 0.4361 0.144 Uiso 1 1 calc R . .
C10 C 0.7304(3) 0.6564(4) 0.44522(18) 0.088(2) Uani 1 1 d U . .
H10A H 0.7773 0.7136 0.4378 0.106 Uiso 1 1 calc R . .
H10B H 0.7472 0.6418 0.4676 0.106 Uiso 1 1 calc R . .
C11 C 0.6468(3) 0.6593(4) 0.44999(17) 0.088(2) Uani 1 1 d DU . .
C12 C 0.5686(4) 0.5819(4) 0.45453(14) 0.111(2) Uani 1 1 d DU . .
H12A H 0.5677 0.5286 0.4558 0.133 Uiso 1 1 calc R . .
C13 C 0.4917(4) 0.5844(4) 0.45720(15) 0.100(2) Uani 1 1 d DU . .
H13A H 0.4388 0.5323 0.4603 0.120 Uiso 1 1 calc R . .
C14 C 0.4918(3) 0.6619(4) 0.45542(17) 0.0724(17) Uani 1 1 d DU . .
C15 C 0.5702(3) 0.7360(4) 0.45270(19) 0.090(2) Uani 1 1 d DU . .
H15A H 0.5728 0.7902 0.4532 0.108 Uiso 1 1 calc R . .
C16 C 0.6493(3) 0.7328(4) 0.44911(19) 0.097(2) Uani 1 1 d DU . .
H16A H 0.7028 0.7845 0.4461 0.117 Uiso 1 1 calc R . .
C17 C 0.4109(3) 0.6648(4) 0.45608(16) 0.0673(17) Uani 1 1 d DU . .
C18 C 0.4104(3) 0.7422(3) 0.45756(14) 0.0588(15) Uani 1 1 d DU . .
H18A H 0.4637 0.7944 0.4597 0.071 Uiso 1 1 calc R . .
C19 C 0.8837(4) 0.6585(4) 0.3195(2) 0.090(2) Uani 1 1 d U . .
C20 C 0.8774(4) 0.7754(4) 0.32747(18) 0.087(2) Uani 1 1 d U . .
C21 C 0.8645(4) 0.8431(4) 0.3240(2) 0.100(2) Uani 1 1 d U . .
H21A H 0.8508 0.8572 0.3019 0.120 Uiso 1 1 calc R . .
C22 C 0.8712(5) 0.8892(5) 0.3516(3) 0.125(3) Uani 1 1 d U . .
H22A H 0.8616 0.9365 0.3491 0.150 Uiso 1 1 calc R . .
C23 C 0.8904(4) 0.8727(5) 0.3825(2) 0.120(3) Uani 1 1 d U . .
H23A H 0.8937 0.9084 0.4014 0.144 Uiso 1 1 calc R . .
C24 C 0.9073(4) 0.8014(4) 0.3895(2) 0.102(2) Uani 1 1 d U . .
H24 H 0.9228 0.7901 0.4117 0.122 Uiso 1 1 calc R . .
C25 C 0.8979(3) 0.7530(4) 0.36020(19) 0.083(2) Uani 1 1 d U . .
C26 C 0.8794(4) 0.5776(4) 0.3053(2) 0.112(2) Uani 1 1 d U . .
H26A H 0.8735 0.5391 0.3248 0.135 Uiso 1 1 calc R . .
H26B H 0.8277 0.5468 0.2904 0.135 Uiso 1 1 calc R . .
C27 C 0.9584(5) 0.5969(5) 0.2842(2) 0.130(3) Uani 1 1 d U . .
H27A H 0.9517 0.5431 0.2747 0.195 Uiso 1 1 calc R . .
H27B H 1.0094 0.6240 0.2992 0.195 Uiso 1 1 calc R . .
H27C H 0.9653 0.6360 0.2651 0.195 Uiso 1 1 calc R . .
C28 C 0.9164(3) 0.6313(4) 0.38146(18) 0.085(2) Uani 1 1 d U . .
H28A H 0.8713 0.5698 0.3802 0.102 Uiso 1 1 calc R . .
H28B H 0.9125 0.6534 0.4046 0.102 Uiso 1 1 calc R . .
C29 C 1.0061(3) 0.6394(4) 0.37733(17) 0.085(2) Uani 1 1 d DU . .
C30 C 1.0140(4) 0.5700(4) 0.37652(15) 0.110(2) Uani 1 1 d DU . .
H30A H 0.9647 0.5143 0.3785 0.132 Uiso 1 1 calc R . .
C31 C 1.0951(4) 0.5795(4) 0.37280(17) 0.112(3) Uani 1 1 d DU . .
H31A H 1.0992 0.5287 0.3735 0.135 Uiso 1 1 calc R . .
C32 C 1.1665(3) 0.6526(4) 0.36840(17) 0.0724(18) Uani 1 1 d DU . .
C33 C 1.1529(4) 0.7194(5) 0.3716(2) 0.127(3) Uani 1 1 d DU . .
H33A H 1.2019 0.7755 0.3715 0.152 Uiso 1 1 calc R . .
C34 C 1.0757(4) 0.7128(5) 0.3748(2) 0.126(3) Uani 1 1 d DU . .
H34A H 1.0721 0.7638 0.3752 0.151 Uiso 1 1 calc R . .
C35 C 1.2518(3) 0.6606(3) 0.36560(15) 0.0635(17) Uani 1 1 d DU . .
C36 C 1.3267(4) 0.7384(4) 0.36483(15) 0.0692(18) Uani 1 1 d DU . .
H36A H 1.3224 0.7890 0.3637 0.083 Uiso 1 1 calc R . .
S2 S 0.7076(4) 0.8617(5) 0.2560(2) 0.192(3) Uani 0.25 1 d PDU A -1
C39 C 0.6195(6) 0.8220(7) 0.2268(3) 0.295(3) Uani 0.25 1 d PDU A -1
F6 F 0.6435(11) 0.8488(10) 0.1946(3) 0.304(5) Uani 0.25 1 d PDU A -1
F5 F 0.5834(11) 0.7376(8) 0.2249(5) 0.300(5) Uani 0.25 1 d PDU A -1
F4 F 0.5594(7) 0.8374(11) 0.2340(5) 0.289(5) Uani 0.25 1 d PDU A -1
O4 O 0.7516(10) 0.9584(7) 0.2507(5) 0.201(5) Uani 0.25 1 d PDU A -1
O5 O 0.7549(7) 0.8173(9) 0.2400(5) 0.158(4) Uani 0.25 1 d PDU A -1
O6 O 0.6605(11) 0.8256(11) 0.2903(3) 0.205(5) Uani 0.25 1 d PDU A -1
S1 S 1.0011(4) 0.7464(3) 0.49347(17) 0.1179(18) Uani 0.30 1 d PDU B -1
O3 O 0.9161(5) 0.7044(7) 0.4720(3) 0.107(3) Uani 0.33 1 d PDU B -1
O2 O 0.9754(8) 0.7179(9) 0.5308(3) 0.097(3) Uani 0.23 1 d PDU B -1
O1 O 1.0559(6) 0.7122(7) 0.4785(3) 0.108(3) Uani 0.33 1 d PDU B -1
C38 C 1.0357(7) 0.8516(5) 0.4923(3) 0.177(3) Uani 0.33 1 d PDU B -1
F3 F 1.0346(9) 0.8832(8) 0.4610(3) 0.209(4) Uani 0.33 1 d PDU B -1
F2 F 1.1049(7) 0.9113(8) 0.5106(3) 0.209(4) Uani 0.33 1 d PDU B -1
F1 F 0.9722(6) 0.8653(8) 0.5114(3) 0.187(4) Uani 0.33 1 d PDU B -1
S3 S 0.7055(4) 0.3679(4) 0.26368(13) 0.112(2) Uani 0.25 1 d PDU C -1
O9 O 0.7859(5) 0.3770(8) 0.2472(4) 0.104(4) Uani 0.25 1 d PDU C -1
O8 O 0.6875(7) 0.4387(6) 0.2536(4) 0.108(4) Uani 0.25 1 d PDU C -1
O7 O 0.6901(7) 0.3398(11) 0.2999(2) 0.088(4) Uani 0.25 1 d PDU C -1
F9 F 0.6266(9) 0.2986(11) 0.2069(3) 0.229(5) Uani 0.25 1 d PDU C -1
C40 C 0.6244(7) 0.2768(7) 0.2403(3) 0.231(4) Uani 0.25 1 d PDU C -1
F8 F 0.6420(9) 0.2118(7) 0.2421(5) 0.229(5) Uani 0.25 1 d PDU C -1
F7 F 0.5462(7) 0.2502(11) 0.2538(6) 0.232(5) Uani 0.25 1 d PDU C -1
O2' O 0.941(2) 0.761(3) 0.5349(11) 0.086(5) Uani 0.10 1 d PU D 2
S1' S 1.0000 0.698(3) 0.5000 0.108(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 119.71(3) 3_665 2_655
N1 Ag1 N1 119.71(3) 3_665 .
N1 Ag1 N1 119.71(3) 2_655 .
N3 Ag2 N3 177.8(3) . 11_655
C1 N1 C2 107.8(6) . .
C1 N1 Ag1 122.8(5) . .
C2 N1 Ag1 128.3(4) . .
C7 N2 C1 106.0(6) . .
C7 N2 C10 125.4(6) . .
C1 N2 C10 128.2(6) . .
C19 N3 C20 108.4(6) . .
C19 N3 Ag2 123.9(5) . .
C20 N3 Ag2 127.0(4) . .
C25 N4 C19 108.4(6) . .
C25 N4 C28 124.0(6) . .
C19 N4 C28 127.6(6) . .
N1 C1 N2 109.7(6) . .
N1 C1 C8 127.7(6) . .
N2 C1 C8 122.7(6) . .
N1 C2 C3 128.6(7) . .
N1 C2 C7 109.6(6) . .
C3 C2 C7 121.7(7) . .
C2 C3 C4 115.9(8) . .
C2 C3 H3A 122.1 . .
C4 C3 H3A 122.1 . .
C3 C4 C5 117.7(8) . .
C3 C4 H4A 121.2 . .
C5 C4 H4A 121.2 . .
C6 C5 C4 123.0(9) . .
C6 C5 H5A 118.5 . .
C4 C5 H5A 118.5 . .
C5 C6 C7 118.1(8) . .
C5 C6 H6A 121.0 . .
C7 C6 H6A 121.0 . .
C6 C7 C2 123.7(7) . .
C6 C7 N2 129.5(7) . .
C2 C7 N2 106.9(6) . .
C1 C8 C9 109.6(5) . .
C1 C8 H8A 109.8 . .
C9 C8 H8A 109.7 . .
C1 C8 H8B 109.7 . .
C9 C8 H8B 109.7 . .
H8A C8 H8B 108.2 . .
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 109.9(5) . .
N2 C10 H10A 109.7 . .
C11 C10 H10A 109.7 . .
N2 C10 H10B 109.7 . .
C11 C10 H10B 109.7 . .
H10A C10 H10B 108.2 . .
C16 C11 C12 121.1(6) . .
C16 C11 C10 119.5(5) . .
C12 C11 C10 119.4(6) . .
C13 C12 C11 119.2(6) . .
C13 C12 H12A 120.4 . .
C11 C12 H12A 120.4 . .
C14 C13 C12 121.1(5) . .
C14 C13 H13A 119.4 . .
C12 C13 H13A 119.4 . .
C15 C14 C13 117.4(5) . .
C15 C14 C17 121.0(6) . .
C13 C14 C17 121.6(5) . .
C14 C15 C16 121.0(6) . .
C14 C15 H15A 119.5 . .
C16 C15 H15A 119.5 . .
C11 C16 C15 119.9(5) . .
C11 C16 H16A 120.1 . .
C15 C16 H16A 120.1 . .
C18 C17 C18 117.1(6) 3_565 .
C18 C17 C14 120.7(6) 3_565 .
C18 C17 C14 122.1(5) . .
C17 C18 C17 122.6(6) 2_665 .
C17 C18 H18A 118.7 2_665 .
C17 C18 H18A 118.7 . .
N3 C19 N4 111.2(6) . .
N3 C19 C26 128.1(7) . .
N4 C19 C26 120.6(7) . .
C21 C20 N3 131.4(7) . .
C21 C20 C25 121.8(7) . .
N3 C20 C25 106.7(6) . .
C22 C21 C20 118.8(8) . .
C22 C21 H21A 120.6 . .
C20 C21 H21A 120.6 . .
C23 C22 C21 122.7(9) . .
C23 C22 H22A 118.6 . .
C21 C22 H22A 118.6 . .
C22 C23 C24 123.6(9) . .
C22 C23 H23A 118.2 . .
C24 C23 H23A 118.2 . .
C25 C24 C23 112.4(7) . .
C25 C24 H24 123.8 . .
C23 C24 H24 123.8 . .
N4 C25 C24 133.8(7) . .
N4 C25 C20 105.4(6) . .
C24 C25 C20 120.7(7) . .
C27 C26 C19 112.3(6) . .
C27 C26 H26A 109.1 . .
C19 C26 H26A 109.1 . .
C27 C26 H26B 109.1 . .
C19 C26 H26B 109.1 . .
H26A C26 H26B 107.9 . .
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 111.3(5) . .
N4 C28 H28A 109.4 . .
C29 C28 H28A 109.4 . .
N4 C28 H28B 109.4 . .
C29 C28 H28B 109.4 . .
H28A C28 H28B 108.0 . .
C34 C29 C30 117.1(6) . .
C34 C29 C28 122.3(7) . .
C30 C29 C28 120.6(5) . .
C29 C30 C31 119.1(6) . .
C29 C30 H30A 120.4 . .
C31 C30 H30A 120.5 . .
C32 C31 C30 125.4(7) . .
C32 C31 H31A 117.3 . .
C30 C31 H31A 117.3 . .
C31 C32 C33 111.1(6) . .
C31 C32 C35 124.0(6) . .
C33 C32 C35 124.3(5) . .
C34 C33 C32 124.9(6) . .
C34 C33 H33A 117.6 . .
C32 C33 H33A 117.6 . .
C29 C34 C33 122.0(8) . .
C29 C34 H34A 119.0 . .
C33 C34 H34A 119.0 . .
C36 C35 C36 115.5(7) . 2_755
C36 C35 C32 123.1(6) . .
C36 C35 C32 121.4(5) 2_755 .
C35 C36 C35 124.4(7) . 3_775
C35 C36 H36A 117.8 . .
C35 C36 H36A 117.8 3_775 .
O4 S2 O6 117.6(9) . .
O4 S2 O5 115.3(8) . .
O6 S2 O5 117.1(10) . .
O4 S2 C39 102.9(9) . .
O6 S2 C39 100.6(8) . .
O5 S2 C39 98.5(8) . .
F4 C39 F6 106.6(13) . .
F4 C39 F5 106.2(11) . .
F6 C39 F5 104.5(12) . .
F4 C39 S2 117.1(11) . .
F6 C39 S2 112.6(9) . .
F5 C39 S2 108.8(11) . .
O1 S1 O2 111.9(8) . .
O1 S1 O3 106.4(6) . .
O2 S1 O3 106.3(6) . .
O1 S1 C38 120.0(7) . .
O2 S1 C38 106.6(7) . .
O3 S1 C38 104.7(7) . .
F3 C38 F2 109.4(10) . .
F3 C38 F1 101.5(11) . .
F2 C38 F1 95.0(10) . .
F3 C38 S1 115.4(9) . .
F2 C38 S1 123.6(11) . .
F1 C38 S1 107.1(8) . .
O7 S3 O9 116.4(8) . .
O7 S3 O8 116.8(9) . .
O9 S3 O8 113.4(7) . .
O7 S3 C40 103.6(7) . .
O9 S3 C40 100.6(7) . .
O8 S3 C40 102.8(7) . .
F9 C40 F7 110.4(12) . .
F9 C40 F8 108.5(13) . .
F7 C40 F8 109.1(11) . .
F9 C40 S3 108.8(9) . .
F7 C40 S3 111.0(11) . .
F8 C40 S3 109.1(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.224(5) 3_665
Ag1 N1 2.224(5) 2_655
Ag1 N1 2.224(5) .
Ag2 N3 2.072(5) .
Ag2 N3 2.072(5) 11_655
N1 C1 1.328(9) .
N1 C2 1.353(8) .
N2 C7 1.379(8) .
N2 C1 1.401(8) .
N2 C10 1.486(8) .
N3 C19 1.276(9) .
N3 C20 1.408(8) .
N4 C25 1.365(8) .
N4 C19 1.379(9) .
N4 C28 1.471(9) .
C1 C8 1.503(9) .
C2 C3 1.361(9) .
C2 C7 1.376(9) .
C3 C4 1.462(11) .
C3 H3A 0.9500 .
C4 C5 1.469(13) .
C4 H4A 0.9500 .
C5 C6 1.280(11) .
C5 H5A 0.9500 .
C6 C7 1.374(10) .
C6 H6A 0.9500 .
C8 C9 1.572(11) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.537(8) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C16 1.297(9) .
C11 C12 1.407(7) .
C12 C13 1.405(9) .
C12 H12A 0.9500 .
C13 C14 1.390(9) .
C13 H13A 0.9500 .
C14 C15 1.374(7) .
C14 C17 1.480(8) .
C15 C16 1.455(9) .
C15 H15A 0.9500 .
C16 H16A 0.9500 .
C17 C18 1.387(7) 3_565
C17 C18 1.393(7) .
C18 C17 1.387(6) 2_665
C18 H18A 0.9500 .
C19 C26 1.518(10) .
C20 C21 1.352(10) .
C20 C25 1.425(9) .
C21 C22 1.315(11) .
C21 H21A 0.9500 .
C22 C23 1.312(12) .
C22 H22A 0.9500 .
C23 C24 1.479(11) .
C23 H23A 0.9500 .
C24 C25 1.382(9) .
C24 H24 0.9500 .
C26 C27 1.516(10) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C29 1.550(9) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C34 1.287(8) .
C29 C30 1.323(10) .
C30 C31 1.384(9) .
C30 H30A 0.9500 .
C31 C32 1.306(7) .
C31 H31A 0.9500 .
C32 C33 1.342(10) .
C32 C35 1.468(8) .
C33 C34 1.335(10) .
C33 H33A 0.9500 .
C34 H34A 0.9500 .
C35 C36 1.370(6) .
C35 C36 1.393(7) 2_755
C36 C35 1.393(7) 3_775
C36 H36A 0.9500 .
S2 O4 1.518(12) .
S2 O6 1.524(13) .
S2 O5 1.553(14) .
S2 C39 1.775(11) .
C39 F4 1.270(16) .
C39 F6 1.318(14) .
C39 F5 1.318(15) .
S1 O1 1.508(11) .
S1 O2 1.515(11) .
S1 O3 1.557(10) .
S1 C38 1.666(10) .
C38 F3 1.335(13) .
C38 F2 1.362(12) .
C38 F1 1.475(14) .
S3 O7 1.458(9) .
S3 O9 1.508(11) .
S3 O8 1.510(12) .
S3 C40 1.794(9) .
F9 C40 1.338(14) .
C40 F7 1.341(15) .
C40 F8 1.353(16) .
