#------------------------------------------------------------------------------
#$Date: 2019-11-17 07:47:18 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228733 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/83/1548382.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_1548382
loop_
_publ_author_name
'He, Xin'
'Xue, Yang'
'Li, Cui-Cui'
'Wang, Yuechao'
'Jiang, Hong'
'Zhao, Liang'
_publ_section_title
;
 Synthesis of stable polymetalated aromatic complexes through
 metal-macrocycle capsule-triggered cyclization.
;
_journal_issue                   6
_journal_name_full               'Chemical science'
_journal_page_first              1481
_journal_page_last               1487
_journal_paper_doi               10.1039/c7sc04503d
_journal_volume                  9
_journal_year                    2018
_chemical_formula_sum            'C64 H58 Ag4 F9 N17 O10 S2'
_chemical_formula_weight         1891.87
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-06-28 deposited with the CCDC.
2017-12-04 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 130.309(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.1129(19)
_cell_length_b                   12.1233(3)
_cell_length_c                   24.0913(16)
_cell_measurement_reflns_used    8941
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      76.0820
_cell_measurement_theta_min      4.7970
_cell_volume                     7152.2(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173.00(10)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'micro-focus sealed X-ray tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            14679
_diffrn_reflns_theta_full        70.00
_diffrn_reflns_theta_max         70.00
_diffrn_reflns_theta_min         3.61
_exptl_absorpt_coefficient_mu    10.011
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.08444
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3768
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.372
_refine_diff_density_min         -1.730
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       0.000032(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     560
_refine_ls_number_reflns         6779
_refine_ls_number_restraints     92
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.1026
_refine_ls_R_factor_gt           0.0965
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0991P)²+128.6386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2480
_refine_ls_wR_factor_ref         0.2531
_reflns_number_gt                6142
_reflns_number_total             6779
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7sc04503d2.cif
_cod_data_source_block           y_CCDC2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'Constr' changed to 'constr'
according to
/home/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 1548380--1548386.cif.
;
_cod_original_cell_volume        7152.2(7)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1548382
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 0.18070(3) 0.19192(7) 0.48347(4) 0.0573(3) Uani 1 1 d . . .
Ag2 Ag 0.29746(4) 0.21558(7) 0.61086(4) 0.0626(3) Uani 1 1 d . . .
N1 N 0.1090(3) 0.1383(7) 0.4716(4) 0.0506(18) Uani 1 1 d . . .
C1 C 0.0654(4) 0.2058(10) 0.4396(5) 0.058(3) Uani 1 1 d . . .
C2 C 0.0194(5) 0.1716(17) 0.4282(7) 0.099(6) Uani 1 1 d . . .
H2A H -0.0106 0.2184 0.4048 0.118 Uiso 1 1 calc R . .
C3 C 0.0174(5) 0.0741(19) 0.4499(7) 0.119(8) Uani 1 1 d . . .
H3A H -0.0133 0.0537 0.4437 0.142 Uiso 1 1 calc R . .
C4 C 0.0606(6) 0.0013(15) 0.4820(7) 0.092(5) Uani 1 1 d . . .
H4A H 0.0592 -0.0692 0.4960 0.111 Uiso 1 1 calc R . .
C5 C 0.1062(5) 0.0384(10) 0.4924(6) 0.065(3) Uani 1 1 d . . .
N2 N 0.1515(4) -0.0310(8) 0.5241(6) 0.077(3) Uani 1 1 d . . .
C6 C 0.1429(9) -0.1466(16) 0.4977(15) 0.166(12) Uani 1 1 d . . .
H6A H 0.1059 -0.1555 0.4535 0.250 Uiso 1 1 calc R . .
H6B H 0.1501 -0.1964 0.5340 0.250 Uiso 1 1 calc R . .
H6C H 0.1673 -0.1624 0.4885 0.250 Uiso 1 1 calc R . .
N3 N 0.2054(4) 0.0965(7) 0.6141(5) 0.064(2) Uani 1 1 d . . .
C7 C 0.2031(5) -0.0012(9) 0.5874(7) 0.071(3) Uani 1 1 d . . .
C8 C 0.2472(6) -0.0700(11) 0.6221(9) 0.088(4) Uani 1 1 d . . .
H8A H 0.2438 -0.1392 0.6028 0.106 Uiso 1 1 calc R . .
C9 C 0.2949(6) -0.0376(12) 0.6832(10) 0.100(5) Uani 1 1 d . . .
H9A H 0.3249 -0.0844 0.7067 0.119 Uiso 1 1 calc R . .
C10 C 0.3007(5) 0.0653(13) 0.7125(8) 0.084(4) Uani 1 1 d . . .
H10A H 0.3341 0.0889 0.7553 0.101 Uiso 1 1 calc R . .
C11 C 0.2540(5) 0.1327(12) 0.6749(6) 0.071(3) Uani 1 1 d . . .
N4 N 0.2539(4) 0.2403(12) 0.6984(6) 0.089(4) Uani 1 1 d . . .
C12 C 0.2039(9) 0.273(2) 0.6830(19) 0.23(2) Uani 1 1 d . . .
H12A H 0.1798 0.2105 0.6647 0.350 Uiso 1 1 calc R . .
H12B H 0.1865 0.3306 0.6473 0.350 Uiso 1 1 calc R . .
H12C H 0.2122 0.2988 0.7269 0.350 Uiso 1 1 calc R . .
N5 N 0.3275(4) 0.3031(8) 0.7130(4) 0.061(2) Uani 1 1 d . . .
C13 C 0.2973(5) 0.3122(12) 0.7333(6) 0.074(3) Uani 1 1 d . . .
C14 C 0.3066(5) 0.3871(12) 0.7815(7) 0.080(4) Uani 1 1 d . . .
H14A H 0.2851 0.3891 0.7948 0.096 Uiso 1 1 calc R . .
C15 C 0.3484(5) 0.4600(12) 0.8102(6) 0.075(4) Uani 1 1 d . . .
H15A H 0.3550 0.5133 0.8429 0.090 Uiso 1 1 calc R . .
C16 C 0.3810(5) 0.4563(11) 0.7918(6) 0.069(3) Uani 1 1 d . . .
H16A H 0.4092 0.5064 0.8105 0.083 Uiso 1 1 calc R . .
C17 C 0.3693(5) 0.3725(10) 0.7431(6) 0.065(3) Uani 1 1 d . . .
N6 N 0.4004(5) 0.3666(9) 0.7222(7) 0.083(3) Uani 1 1 d . . .
C18 C 0.4249(12) 0.4578(17) 0.7199(16) 0.188(14) Uani 1 1 d . . .
H18A H 0.4152 0.5224 0.7323 0.282 Uiso 1 1 calc R . .
H18B H 0.4128 0.4659 0.6718 0.282 Uiso 1 1 calc R . .
H18C H 0.4638 0.4486 0.7541 0.282 Uiso 1 1 calc R . .
N7 N 0.4149(4) 0.2667(8) 0.6532(5) 0.059(2) Uani 1 1 d . . .
C19 C 0.4098(5) 0.2620(9) 0.7039(6) 0.056(2) Uani 1 1 d . . .
C20 C 0.4140(5) 0.1650(11) 0.7361(6) 0.068(3) Uani 1 1 d . . .
H20A H 0.4103 0.1624 0.7712 0.081 Uiso 1 1 calc R . .
C21 C 0.4240(7) 0.0723(13) 0.7144(10) 0.103(6) Uani 1 1 d . . .
H21A H 0.4266 0.0046 0.7346 0.124 Uiso 1 1 calc R . .
C22 C 0.4303(6) 0.0769(11) 0.6631(9) 0.087(4) Uani 1 1 d . . .
H22A H 0.4382 0.0135 0.6497 0.105 Uiso 1 1 calc R . .
C23 C 0.4249(5) 0.1742(10) 0.6331(6) 0.061(3) Uani 1 1 d . . .
N8 N 0.4307(4) 0.1903(9) 0.5804(5) 0.066(2) Uani 1 1 d . . .
C24 C 0.4470(7) 0.0918(15) 0.5616(9) 0.107(6) Uani 1 1 d . . .
H24A H 0.4496 0.1114 0.5253 0.161 Uiso 1 1 calc R . .
H24B H 0.4202 0.0348 0.5430 0.161 Uiso 1 1 calc R . .
H24C H 0.4818 0.0656 0.6044 0.161 Uiso 1 1 calc R . .
C25 C 0.2421(7) 0.3307(14) 0.5004(9) 0.041(4) Uani 0.50 1 d PD . 1
C26 C 0.2252(13) 0.376(3) 0.5269(17) 0.092(8) Uani 0.50 1 d PDU . 1
C27 C 0.2189(11) 0.442(2) 0.5686(14) 0.095(9) Uani 0.50 1 d PGU . 1
C28 C 0.1857(9) 0.4088(17) 0.5835(13) 0.087(8) Uani 0.50 1 d PG . 1
H28A H 0.1679 0.3412 0.5665 0.104 Uiso 0.50 1 calc PR . 1
C29 C 0.1791(10) 0.476(2) 0.6239(15) 0.140(15) Uani 0.50 1 d PGU . 1
H29A H 0.1568 0.4539 0.6339 0.168 Uiso 0.50 1 calc PR . 1
C30 C 0.2057(12) 0.578(2) 0.6494(15) 0.15(2) Uani 0.50 1 d PG . 1
H30A H 0.2012 0.6228 0.6764 0.186 Uiso 0.50 1 calc PR . 1
C31 C 0.2389(13) 0.6111(19) 0.6344(18) 0.17(2) Uiso 0.50 1 d PG . 1
H31A H 0.2567 0.6788 0.6515 0.204 Uiso 0.50 1 calc PR . 1
C32 C 0.2455(12) 0.544(3) 0.5940(18) 0.16(3) Uiso 0.50 1 d PGD . 1
N9 N 0.2774(14) 0.576(4) 0.5759(17) 0.20(3) Uani 0.50 1 d PD . 1
C33 C 0.2352(19) 0.627(3) 0.502(3) 0.19(3) Uani 0.50 1 d PD . 1
H33A H 0.2267 0.6995 0.5075 0.283 Uiso 0.50 1 calc PR . 1
H33B H 0.2028 0.5822 0.4743 0.283 Uiso 0.50 1 calc PR . 1
H33C H 0.2494 0.6307 0.4771 0.283 Uiso 0.50 1 calc PR . 1
C34 C 0.322(3) 0.650(7) 0.637(4) 0.31(5) Uiso 0.50 1 d PD . .
H34A H 0.3455 0.6078 0.6813 0.463 Uiso 0.50 1 calc PR . 1
H34B H 0.3050 0.7079 0.6445 0.463 Uiso 0.50 1 calc PR . 1
H34C H 0.3421 0.6819 0.6252 0.463 Uiso 0.50 1 calc PR . 1
O1 O 0.2146(10) 0.0595(18) 0.4522(10) 0.118(9) Uani 0.50 1 d PD . 2
O2 O 0.2943(7) 0.0700(12) 0.5464(9) 0.070(4) Uani 0.50 1 d PD . 2
C35 C 0.2598(8) 0.038(3) 0.4894(13) 0.090(8) Uani 0.50 1 d PDU . 2
C36 C 0.2853(14) -0.034(3) 0.449(2) 0.21(4) Uani 0.50 1 d PD . 2
F11 F 0.300(3) 0.055(4) 0.451(4) 0.67(10) Uiso 0.50 1 d PD . 2
F12 F 0.3205(10) -0.098(3) 0.5015(15) 0.201(16) Uani 0.50 1 d PD . 2
F13 F 0.2436(14) -0.073(3) 0.4010(13) 0.27(3) Uani 0.50 1 d PD . 2
S1 S 0.4393(6) 0.7810(8) 0.8508(8) 0.130(5) Uani 0.505(19) 1 d PD A 1
O3 O 0.3964(18) 0.753(2) 0.7750(16) 0.33(5) Uani 0.505(19) 1 d PD A 1
O4 O 0.432(2) 0.887(3) 0.8684(19) 0.25(4) Uani 0.505(19) 1 d PD A 1
O5 O 0.446(2) 0.695(3) 0.898(2) 0.175(18) Uiso 0.505(19) 1 d PD A 1
S1' S 0.4638(8) 0.7827(12) 0.9012(11) 0.158(7) Uani 0.495(19) 1 d PD A 2
O3' O 0.5187(14) 0.764(3) 0.9686(18) 0.20(2) Uani 0.495(19) 1 d PD A 2
O4' O 0.4457(18) 0.896(2) 0.881(3) 0.38(8) Uani 0.495(19) 1 d PD A 2
O5' O 0.4233(16) 0.699(3) 0.877(3) 0.20(2) Uani 0.495(19) 1 d PDU A 2
F21 F 0.4689(11) 0.818(2) 0.7812(13) 0.371(17) Uani 1 1 d DU A .
F22 F 0.5299(7) 0.8130(19) 0.8898(14) 0.290(12) Uani 1 1 d DU A .
F23 F 0.4928(6) 0.6709(12) 0.8328(8) 0.168(5) Uani 1 1 d DU A .
C37 C 0.4785(8) 0.7721(12) 0.8391(8) 0.115(6) Uani 1 1 d DU . .
O6 O 0.4200(5) 1.1153(13) 0.8813(6) 0.116(4) Uani 1 1 d . . .
C38 C 0.4160(17) 1.146(3) 0.925(2) 0.224(17) Uani 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 0.0181 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'
F F 0.0727 0.0534 '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'
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 C25 156.0(5) . 7_556
N1 Ag1 O1 114.8(8) . .
C25 Ag1 O1 44.0(8) 7_556 .
N1 Ag1 C25 152.6(4) . .
C25 Ag1 C25 51.1(7) 7_556 .
O1 Ag1 C25 91.9(8) . .
N1 Ag1 C26 125.5(5) . .
C25 Ag1 C26 76.6(7) 7_556 .
O1 Ag1 C26 119.6(9) . .
C25 Ag1 C26 28.4(3) . .
N1 Ag1 Ag2 132.5(2) . .
C25 Ag1 Ag2 47.0(4) 7_556 .
O1 Ag1 Ag2 81.8(6) . .
C25 Ag1 Ag2 53.6(4) . .
C26 Ag1 Ag2 58.4(7) . .
N1 Ag1 Ag2 137.9(2) . 7_556
C25 Ag1 Ag2 53.7(5) 7_556 7_556
O1 Ag1 Ag2 67.9(6) . 7_556
C25 Ag1 Ag2 45.7(4) . 7_556
C26 Ag1 Ag2 68.3(6) . 7_556
Ag2 Ag1 Ag2 89.37(3) . 7_556
C25 Ag2 N5 165.7(5) 7_556 .
C25 Ag2 O2 40.2(6) 7_556 .
N5 Ag2 O2 154.0(5) . .
C25 Ag2 C25 51.3(7) 7_556 .
N5 Ag2 C25 114.5(4) . .
O2 Ag2 C25 91.1(5) . .
C25 Ag2 C26 74.0(8) 7_556 .
N5 Ag2 C26 91.9(6) . .
O2 Ag2 C26 114.0(7) . .
C25 Ag2 C26 26.7(4) . .
C25 Ag2 Ag1 49.7(4) 7_556 .
N5 Ag2 Ag1 122.8(3) . .
O2 Ag2 Ag1 75.7(4) . .
C25 Ag2 Ag1 52.2(4) . .
C26 Ag2 Ag1 52.1(7) . .
C25 Ag2 Ag1 52.9(4) 7_556 7_556
N5 Ag2 Ag1 120.6(3) . 7_556
O2 Ag2 Ag1 72.9(4) . 7_556
C25 Ag2 Ag1 47.8(3) . 7_556
C26 Ag2 Ag1 70.7(5) . 7_556
Ag1 Ag2 Ag1 90.63(3) . 7_556
C5 N1 C1 117.9(9) . .
C5 N1 Ag1 122.0(7) . .
C1 N1 Ag1 120.0(7) . .
N1 C1 C2 120.8(12) . .
N1 C1 N8 117.1(9) . 7_556
C2 C1 N8 122.1(11) . 7_556
C3 C2 C1 120.9(14) . .
C2 C3 C4 120.5(12) . .
C3 C4 C5 116.9(14) . .
N1 C5 C4 122.9(13) . .
N1 C5 N2 116.9(10) . .
C4 C5 N2 120.2(12) . .
C7 N2 C5 121.4(10) . .
C7 N2 C6 118.2(13) . .
C5 N2 C6 119.5(13) . .
C7 N3 C11 118.8(11) . .
N3 C7 C8 122.5(13) . .
N3 C7 N2 114.7(11) . .
C8 C7 N2 122.7(12) . .
C9 C8 C7 119.6(14) . .
C8 C9 C10 120.8(13) . .
C9 C10 C11 117.3(14) . .
N3 C11 C10 120.9(13) . .
N3 C11 N4 115.7(10) . .
C10 C11 N4 123.5(12) . .
C13 N4 C11 124.2(11) . .
C13 N4 C12 120.0(14) . .
C11 N4 C12 115.7(13) . .
C17 N5 C13 117.5(9) . .
C17 N5 Ag2 117.4(7) . .
C13 N5 Ag2 122.6(8) . .
N5 C13 C14 124.0(12) . .
N5 C13 N4 114.2(10) . .
C14 C13 N4 121.8(12) . .
C13 C14 C15 118.1(12) . .
C14 C15 C16 121.3(11) . .
C15 C16 C17 116.4(12) . .
N5 C17 N6 118.7(10) . .
N5 C17 C16 122.7(11) . .
N6 C17 C16 118.4(12) . .
C18 N6 C17 122.6(12) . .
C18 N6 C19 117.2(11) . .
C17 N6 C19 120.2(10) . .
C19 N7 C23 119.7(10) . .
N7 C19 C20 122.0(11) . .
N7 C19 N6 114.7(9) . .
C20 C19 N6 123.4(10) . .
C21 C20 C19 117.1(11) . .
C20 C21 C22 121.2(12) . .
C23 C22 C21 118.6(12) . .
C22 C23 N7 121.4(10) . .
C22 C23 N8 124.2(11) . .
N7 C23 N8 114.3(10) . .
C1 N8 C23 122.3(9) 7_556 .
C1 N8 C24 119.8(10) 7_556 .
C23 N8 C24 116.1(11) . .
C26 C25 C25 130(2) . 7_556
C26 C25 Ag2 132(2) . 7_556
C25 C25 Ag2 71.9(8) 7_556 7_556
C26 C25 Ag1 142(2) . 7_556
C25 C25 Ag1 68.4(8) 7_556 7_556
Ag2 C25 Ag1 83.2(5) 7_556 7_556
C26 C25 Ag1 78.7(18) . .
C25 C25 Ag1 60.5(8) 7_556 .
Ag2 C25 Ag1 81.3(6) 7_556 .
Ag1 C25 Ag1 128.9(7) 7_556 .
C26 C25 Ag2 86.6(19) . .
C25 C25 Ag2 56.8(9) 7_556 .
Ag2 C25 Ag2 128.7(7) 7_556 .
Ag1 C25 Ag2 78.5(6) 7_556 .
Ag1 C25 Ag2 74.2(5) . .
C25 C26 C27 165(3) . .
C25 C26 Ag1 72.9(17) . .
C27 C26 Ag1 121(2) . .
C25 C26 Ag2 66.7(16) . .
C27 C26 Ag2 109(2) . .
Ag1 C26 Ag2 69.5(8) . .
C28 C27 C32 120.0 . .
C28 C27 C26 120(2) . .
C32 C27 C26 120(2) . .
C29 C28 C27 120.0 . .
C30 C29 C28 120.0 . .
C31 C30 C29 120.0 . .
C30 C31 C32 120.0 . .
C31 C32 C27 120.0 . .
C31 C32 N9 122(3) . .
C27 C32 N9 118(3) . .
C32 N9 C33 102(3) . .
C32 N9 C34 106(3) . .
C33 N9 C34 118(6) . .
N9 C34 F13 36.0(14) . 7_556
C35 O1 Ag1 122(2) . .
C35 O2 Ag2 131(2) . .
O1 C35 O2 129(3) . .
O1 C35 C36 118(2) . .
O2 C35 C36 112(2) . .
F13 C36 F11 126(4) . .
F13 C36 F12 118(2) . .
F11 C36 F12 116(2) . .
F13 C36 C35 96(3) . .
F11 C36 C35 81(4) . .
F12 C36 C35 101(4) . .
C36 F13 C34 151(4) . 7_556
O4 S1 O5 112.7(18) . .
O4 S1 O3 112.3(17) . .
O5 S1 O3 110.9(17) . .
O4 S1 C37 118(3) . .
O5 S1 C37 112(2) . .
O3 S1 C37 89(3) . .
O5' S1' O3' 118.0(14) . .
O5' S1' O4' 117.9(13) . .
O3' S1' O4' 117.3(13) . .
O5' S1' C37 105(3) . .
O3' S1' C37 98(2) . .
O4' S1' C37 92.9(15) . .
F21 C37 F23 97.4(17) . .
F21 C37 F22 96.3(17) . .
F23 C37 F22 97.3(16) . .
F21 C37 S1 121.5(16) . .
F23 C37 S1 119.1(14) . .
F22 C37 S1 119.8(16) . .
F21 C37 S1' 144.0(18) . .
F23 C37 S1' 116.0(14) . .
F22 C37 S1' 92.7(14) . .
S1 C37 S1' 29.9(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.227(8) .
Ag1 C25 2.263(15) 7_556
Ag1 O1 2.322(16) .
Ag1 C25 2.418(17) .
Ag1 C26 2.48(3) .
Ag1 Ag2 2.9449(12) .
Ag1 Ag2 2.9958(11) 7_556
Ag2 C25 2.170(16) 7_556
Ag2 N5 2.246(8) .
Ag2 O2 2.309(14) .
Ag2 C25 2.463(19) .
Ag2 C26 2.68(3) .
Ag2 Ag1 2.9957(11) 7_556
N1 C5 1.336(14) .
N1 C1 1.352(13) .
C1 C2 1.380(17) .
C1 N8 1.383(15) 7_556
C2 C3 1.31(3) .
C3 C4 1.38(2) .
C4 C5 1.392(17) .
C5 N2 1.402(16) .
N2 C7 1.390(16) .
N2 C6 1.49(2) .
N3 C7 1.326(15) .
N3 C11 1.347(15) .
C7 C8 1.369(17) .
C8 C9 1.32(2) .
C9 C10 1.39(2) .
C10 C11 1.407(17) .
C11 N4 1.423(18) .
N4 C13 1.375(18) .
N4 C12 1.45(2) .
N5 C17 1.334(15) .
N5 C13 1.344(16) .
C13 C14 1.346(16) .
C14 C15 1.365(19) .
C15 C16 1.378(17) .
C16 C17 1.406(15) .
C17 N6 1.379(15) .
N6 C18 1.379(19) .
N6 C19 1.437(15) .
N7 C19 1.335(13) .
N7 C23 1.340(14) .
C19 C20 1.365(15) .
C20 C21 1.36(2) .
C21 C22 1.38(2) .
C22 C23 1.335(17) .
C23 N8 1.412(14) .
N8 C1 1.383(15) 7_556
N8 C24 1.487(15) .
C25 C26 1.204(10) .
C25 C25 2.02(3) 7_556
C25 Ag2 2.170(16) 7_556
C25 Ag1 2.263(15) 7_556
C26 C27 1.40(3) .
C27 C28 1.3900 .
C27 C32 1.3900 .
C28 C29 1.3900 .
C29 C30 1.3900 .
C30 C31 1.3900 .
C31 C32 1.3900 .
C32 N9 1.402(10) .
N9 C33 1.51(3) .
N9 C34 1.52(3) .
C34 F13 1.90(7) 7_556
O1 C35 1.14(2) .
O2 C35 1.14(2) .
C35 C36 1.84(6) .
C36 F13 1.16(3) .
C36 F11 1.17(3) .
C36 F12 1.27(5) .
F13 C34 1.90(7) 7_556
S1 O4 1.42(2) .
S1 O5 1.44(3) .
S1 O3 1.45(2) .
S1 C37 1.46(3) .
S1' O5' 1.44(3) .
S1' O3' 1.45(3) .
S1' O4' 1.45(3) .
S1' C37 1.84(3) .
F21 C37 1.342(19) .
F22 C37 1.362(19) .
F23 C37 1.352(17) .
O6 C38 1.21(3) .
