#------------------------------------------------------------------------------
#$Date: 2019-11-28 19:21:12 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244399 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/88/7238838.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_7238838
loop_
_publ_author_name
'Xiong, Ying'
'Yang, Rui'
'Chen, Sha'
'Jiang, Ji-Jun'
'Su, Cheng-Yong'
_publ_section_title
;
 Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand:
 effects of counter anion, ligand conformation and π--π interaction on
 non-interpenetrating 2D → 3D dimension increase
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              9751
_journal_paper_doi               10.1039/c3ce41071d
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C30 H38.5 Ag F6 N3 O11.75 S3 Sb'
_chemical_formula_weight         1068.94
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                110.448(2)
_cell_angle_beta                 100.874(2)
_cell_angle_gamma                95.504(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2552(11)
_cell_length_b                   13.6464(14)
_cell_length_c                   16.3098(16)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.2499
_cell_measurement_theta_min      2.6475
_cell_volume                     2269.2(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Oxford Germini S Ultra'
_diffrn_measurement_method       'ω scan and π 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  0.0218
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19119
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.87
_diffrn_standards_decay_%        none
_diffrn_standards_number         8741
_exptl_absorpt_coefficient_mu    1.242
_exptl_absorpt_correction_T_max  0.8652
_exptl_absorpt_correction_T_min  0.8356
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1067
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.553
_refine_diff_density_min         -0.759
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    goem
_refine_ls_matrix_type           full
_refine_ls_number_parameters     565
_refine_ls_number_reflns         9730
_refine_ls_number_restraints     132
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0506
_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)+(0.1005P)²+3.0476P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1489
_refine_ls_wR_factor_ref         0.1674
_reflns_number_gt                7291
_reflns_number_total             9730
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41071d.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      p-1
_cod_original_formula_sum        'C30 H38.50 Ag F6 N3 O11.75 S3 Sb'
_cod_database_code               7238838
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.02394(3) 0.18017(3) 0.37720(2) 0.03579(13) Uani 1 1 d . . .
N1 N 0.0235(4) 0.2511(3) 0.5308(3) 0.0384(9) Uani 1 1 d . . .
N2 N 0.0988(4) 0.2554(3) 1.3100(3) 0.0391(9) Uani 1 1 d . . .
N3 N 0.8112(4) 1.0514(3) 1.2973(3) 0.0366(9) Uani 1 1 d . . .
Sb1 Sb 0.46290(3) 0.69672(3) 0.42412(3) 0.04807(14) Uani 1 1 d . . .
C1 C 0.3074(4) 0.4902(4) 0.9381(3) 0.0312(9) Uani 1 1 d . . .
C2 C 0.2625(4) 0.4421(4) 0.9908(3) 0.0307(9) Uani 1 1 d . . .
H2A H 0.2016 0.3796 0.9650 0.037 Uiso 1 1 calc R . .
C3 C 0.3104(4) 0.4892(4) 1.0825(3) 0.0307(9) Uani 1 1 d . . .
C4 C 0.3993(4) 0.5792(4) 1.1220(3) 0.0333(10) Uani 1 1 d . . .
H4A H 0.4317 0.6098 1.1854 0.040 Uiso 1 1 calc R . .
C5 C 0.4391(4) 0.6229(3) 1.0657(3) 0.0301(9) Uani 1 1 d . . .
C6 C 0.3962(4) 0.5807(4) 0.9738(3) 0.0299(9) Uani 1 1 d . . .
H6A H 0.4262 0.6123 0.9366 0.036 Uiso 1 1 calc R . .
C7 C 0.1472(5) 0.4468(4) 0.8094(3) 0.0358(10) Uani 1 1 d . . .
C8 C 0.3136(5) 0.3820(4) 1.1691(4) 0.0392(11) Uani 1 1 d . . .
C9 C 0.5015(4) 0.8066(4) 1.1469(3) 0.0356(10) Uani 1 1 d . . .
C10 C 0.1072(4) 0.3755(4) 0.7128(3) 0.0309(9) Uani 1 1 d . . .
C11 C 0.1795(4) 0.3108(4) 0.6669(3) 0.0361(10) Uani 1 1 d . . .
H11A H 0.2590 0.3079 0.6974 0.043 Uiso 1 1 calc R . .
C12 C 0.1350(5) 0.2507(4) 0.5765(3) 0.0411(11) Uani 1 1 d . . .
H12A H 0.1858 0.2071 0.5454 0.049 Uiso 1 1 calc R . .
C13 C -0.0483(4) 0.3119(4) 0.5747(3) 0.0373(11) Uani 1 1 d . . .
H13A H -0.1282 0.3115 0.5425 0.045 Uiso 1 1 calc R . .
C14 C -0.0102(5) 0.3756(4) 0.6654(3) 0.0365(11) Uani 1 1 d . . .
H14A H -0.0628 0.4185 0.6949 0.044 Uiso 1 1 calc R . .
C15 C 0.2383(5) 0.3409(4) 1.2201(3) 0.0353(10) Uani 1 1 d . . .
C16 C 0.1189(5) 0.3586(4) 1.2196(3) 0.0373(11) Uani 1 1 d . . .
H16A H 0.0830 0.3998 1.1885 0.045 Uiso 1 1 calc R . .
C17 C 0.0536(5) 0.3142(4) 1.2661(3) 0.0383(11) Uani 1 1 d . . .
H17A H -0.0279 0.3266 1.2664 0.046 Uiso 1 1 calc R . .
C18 C 0.2129(5) 0.2390(5) 1.3110(4) 0.0487(14) Uani 1 1 d . . .
H18A H 0.2461 0.1975 1.3428 0.058 Uiso 1 1 calc R . .
C19 C 0.2858(5) 0.2810(5) 1.2666(4) 0.0496(14) Uani 1 1 d . . .
H19A H 0.3677 0.2683 1.2685 0.060 Uiso 1 1 calc R . .
C20 C 0.6125(4) 0.8914(4) 1.1984(3) 0.0321(10) Uani 1 1 d . . .
C21 C 0.5955(5) 0.9942(4) 1.2419(4) 0.0472(13) Uani 1 1 d . . .
H21A H 0.5152 1.0110 1.2386 0.057 Uiso 1 1 calc R . .
C22 C 0.6972(5) 1.0714(4) 1.2901(4) 0.0442(12) Uani 1 1 d . . .
H22A H 0.6855 1.1421 1.3195 0.053 Uiso 1 1 calc R . .
C23 C 0.8261(4) 0.9527(4) 1.2553(4) 0.0417(12) Uani 1 1 d . . .
H23A H 0.9075 0.9383 1.2601 0.050 Uiso 1 1 calc R . .
C24 C 0.7301(4) 0.8693(4) 1.2048(4) 0.0389(11) Uani 1 1 d . . .
H24A H 0.7447 0.7995 1.1758 0.047 Uiso 1 1 calc R . .
O7 O 0.1233(4) 0.0457(4) 0.3801(4) 0.0671(13) Uani 1 1 d . . .
S1 S 0.17728(15) -0.05004(12) 0.38062(11) 0.0520(4) Uani 1 1 d . . .
C25 C 0.2309(8) -0.0311(6) 0.4953(5) 0.0700(19) Uani 1 1 d . . .
H25A H 0.1607 -0.0385 0.5215 0.105 Uiso 1 1 calc R . .
H25B H 0.2804 0.0400 0.5281 0.105 Uiso 1 1 calc R . .
H25C H 0.2815 -0.0846 0.4997 0.105 Uiso 1 1 calc R . .
C26 C 0.3204(7) -0.0330(6) 0.3528(6) 0.072(2) Uani 1 1 d . . .
H26A H 0.3065 -0.0409 0.2895 0.108 Uiso 1 1 calc R . .
H26B H 0.3672 -0.0867 0.3623 0.108 Uiso 1 1 calc R . .
H26C H 0.3669 0.0380 0.3912 0.108 Uiso 1 1 calc R . .
S2 S -0.20830(16) 0.42575(13) 0.37379(12) 0.0559(4) Uani 1 1 d . . .
O8 O -0.1665(4) 0.3291(4) 0.3803(3) 0.0641(12) Uani 1 1 d . . .
C28 C -0.1935(8) 0.5173(5) 0.4852(6) 0.075(2) Uani 1 1 d . . .
H28A H -0.1062 0.5436 0.5150 0.113 Uiso 1 1 calc R . .
H28B H -0.2320 0.4818 0.5189 0.113 Uiso 1 1 calc R . .
H28C H -0.2341 0.5771 0.4832 0.113 Uiso 1 1 calc R . .
C27 C -0.3707(7) 0.3957(9) 0.3407(7) 0.098(3) Uani 1 1 d . . .
H27A H -0.3967 0.3443 0.2784 0.146 Uiso 1 1 calc R . .
H27B H -0.4035 0.4608 0.3449 0.146 Uiso 1 1 calc R . .
H27C H -0.4019 0.3653 0.3805 0.146 Uiso 1 1 calc R . .
S3 S 0.07360(14) 0.78092(13) 1.13909(12) 0.0639(5) Uani 1 1 d . . .
O9 O -0.0591(4) 0.7549(4) 1.1391(4) 0.0880(19) Uani 1 1 d . . .
C30 C 0.1468(8) 0.6948(7) 1.1763(10) 0.117(4) Uani 1 1 d . . .
H30A H 0.1489 0.7128 1.2403 0.176 Uiso 1 1 calc R . .
H30B H 0.2310 0.7002 1.1683 0.176 Uiso 1 1 calc R . .
H30C H 0.1025 0.6221 1.1416 0.176 Uiso 1 1 calc R . .
C29 C 0.0885(10) 0.7225(13) 1.0262(7) 0.163(7) Uani 1 1 d . . .
H29A H 0.0513 0.7616 0.9908 0.244 Uiso 1 1 calc R . .
H29B H 0.0467 0.6483 0.9997 0.244 Uiso 1 1 calc R . .
H29C H 0.1758 0.7255 1.0259 0.244 Uiso 1 1 calc R . .
O1 O 0.2651(3) 0.4399(3) 0.8445(2) 0.0348(7) Uani 1 1 d . . .
O2 O 0.2558(3) 0.4474(3) 1.1372(2) 0.0385(8) Uani 1 1 d . . .
O3 O 0.5344(3) 0.7125(3) 1.1047(2) 0.0361(7) Uani 1 1 d . . .
O4 O 0.0871(4) 0.5023(3) 0.8512(3) 0.0490(10) Uani 1 1 d . . .
O5 O 0.4106(4) 0.3606(4) 1.1575(3) 0.0613(12) Uani 1 1 d . . .
O6 O 0.3986(3) 0.8199(3) 1.1454(3) 0.0543(11) Uani 1 1 d . . .
F2 F 0.4038(9) 0.7741(8) 0.5175(6) 0.200(4) Uani 1 1 d U A .
F4 F 0.5166(8) 0.6093(7) 0.3295(4) 0.157(3) Uani 1 1 d U A .
F3 F 0.3271(8) 0.7166(9) 0.3486(8) 0.100(3) Uani 0.50 1 d PU A 1
F5 F 0.5431(14) 0.8239(11) 0.4316(13) 0.160(6) Uani 0.50 1 d PU A 1
F6 F 0.3770(17) 0.5773(12) 0.4216(13) 0.148(5) Uani 0.50 1 d PU A 1
F1 F 0.5969(14) 0.6815(12) 0.4971(10) 0.116(5) Uani 0.50 1 d PU A 1
F6' F 0.3129(14) 0.6238(17) 0.3591(15) 0.185(6) Uani 0.50 1 d PU A 2
F5' F 0.6182(14) 0.7416(17) 0.4880(12) 0.150(6) Uani 0.50 1 d PU A 2
F3' F 0.484(2) 0.7642(15) 0.3483(14) 0.194(7) Uani 0.50 1 d PU A 2
F1' F 0.467(2) 0.6012(14) 0.4796(13) 0.162(5) Uani 0.50 1 d PU A 2
O1W O -0.120(2) 0.0686(16) 1.0935(12) 0.176(8) Uani 0.50 1 d PU . .
O3W O 0.2116(18) 0.1484(15) 1.0019(11) 0.145(6) Uani 0.50 1 d PU . .
O2W O 0.5000 1.0000 1.0000 0.193(12) Uani 0.50 2 d SPU . .
O4W O 0.557(2) 1.1428(17) 1.0656(13) 0.167(7) Uani 0.50 1 d PU . .
O1W' O 0.060(2) 0.0400(12) 1.0807(12) 0.172(8) Uani 0.50 1 d PU . .
O3W' O 0.100(3) 0.030(2) 0.968(2) 0.209(10) Uani 0.50 1 d PU . .
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'
F F 0.0171 0.0103 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
N3 Ag1 N1 121.76(16) 1_444 .
N3 Ag1 N2 122.45(16) 1_444 1_554
N1 Ag1 N2 115.68(16) . 1_554
N3 Ag1 O7 93.36(15) 1_444 .
N1 Ag1 O7 90.30(16) . .
N2 Ag1 O7 89.56(16) 1_554 .
C12 N1 C13 118.7(4) . .
C12 N1 Ag1 119.6(3) . .
C13 N1 Ag1 120.3(3) . .
C18 N2 C17 118.6(4) . .
C18 N2 Ag1 121.9(3) . 1_556
C17 N2 Ag1 119.5(3) . 1_556
C23 N3 C22 117.9(4) . .
C23 N3 Ag1 120.3(3) . 1_666
C22 N3 Ag1 121.9(3) . 1_666
F5' Sb1 F6 119.9(9) . .
F5' Sb1 F6' 167.6(10) . .
F6 Sb1 F6' 49.0(9) . .
F5' Sb1 F2 92.7(7) . .
F6 Sb1 F2 89.8(7) . .
F6' Sb1 F2 92.9(7) . .
F5' Sb1 F1 29.0(7) . .
F6 Sb1 F1 90.9(8) . .
F6' Sb1 F1 139.4(10) . .
F2 Sb1 F1 93.3(6) . .
F5' Sb1 F3' 93.2(10) . .
F6 Sb1 F3' 139.3(9) . .
F6' Sb1 F3' 94.8(11) . .
F2 Sb1 F3' 113.2(8) . .
F1 Sb1 F3' 119.1(9) . .
F5' Sb1 F1' 82.7(9) . .
F6 Sb1 F1' 37.9(6) . .
F6' Sb1 F1' 86.8(10) . .
F2 Sb1 F1' 84.1(7) . .
F1 Sb1 F1' 54.0(8) . .
F3' Sb1 F1' 162.5(10) . .
F5' Sb1 F5 61.7(8) . .
F6 Sb1 F5 175.7(9) . .
F6' Sb1 F5 129.9(10) . .
F2 Sb1 F5 86.1(8) . .
F1 Sb1 F5 90.6(7) . .
F3' Sb1 F5 42.3(7) . .
F1' Sb1 F5 142.4(8) . .
F5' Sb1 F4 89.3(7) . .
F6 Sb1 F4 85.9(7) . .
F6' Sb1 F4 84.4(7) . .
F2 Sb1 F4 175.8(5) . .
F1 Sb1 F4 86.6(6) . .
F3' Sb1 F4 70.3(8) . .
F1' Sb1 F4 92.5(7) . .
F5 Sb1 F4 98.1(7) . .
F5' Sb1 F3 149.1(8) . .
F6 Sb1 F3 91.0(7) . .
F6' Sb1 F3 42.5(8) . .
F2 Sb1 F3 86.7(5) . .
F1 Sb1 F3 178.1(7) . .
F3' Sb1 F3 59.2(8) . .
F1' Sb1 F3 127.9(8) . .
F5 Sb1 F3 87.5(6) . .
F4 Sb1 F3 93.5(5) . .
C6 C1 C2 122.7(4) . .
C6 C1 O1 119.6(4) . .
C2 C1 O1 117.5(4) . .
C3 C2 C1 116.8(4) . .
C3 C2 H2A 121.6 . .
C1 C2 H2A 121.6 . .
C4 C3 C2 123.0(4) . .
C4 C3 O2 119.6(4) . .
C2 C3 O2 117.0(4) . .
C5 C4 C3 117.0(4) . .
C5 C4 H4A 121.5 . .
C3 C4 H4A 121.5 . .
C6 C5 C4 123.5(4) . .
C6 C5 O3 118.7(4) . .
C4 C5 O3 117.7(4) . .
C5 C6 C1 116.9(4) . .
C5 C6 H6A 121.5 . .
C1 C6 H6A 121.5 . .
O4 C7 O1 124.0(4) . .
O4 C7 C10 125.8(5) . .
O1 C7 C10 110.1(4) . .
O5 C8 O2 124.1(5) . .
O5 C8 C15 125.7(5) . .
O2 C8 C15 110.2(4) . .
O6 C9 O3 124.6(4) . .
O6 C9 C20 124.4(5) . .
O3 C9 C20 111.0(4) . .
C11 C10 C14 118.2(4) . .
C11 C10 C7 124.0(4) . .
C14 C10 C7 117.7(4) . .
C12 C11 C10 119.3(4) . .
C12 C11 H11A 120.4 . .
C10 C11 H11A 120.4 . .
N1 C12 C11 122.8(5) . .
N1 C12 H12A 118.6 . .
C11 C12 H12A 118.6 . .
N1 C13 C14 122.2(4) . .
N1 C13 H13A 118.9 . .
C14 C13 H13A 118.9 . .
C13 C14 C10 118.8(4) . .
C13 C14 H14A 120.6 . .
C10 C14 H14A 120.6 . .
C19 C15 C16 118.6(5) . .
C19 C15 C8 119.9(5) . .
C16 C15 C8 121.5(4) . .
C15 C16 C17 117.8(5) . .
C15 C16 H16A 121.1 . .
C17 C16 H16A 121.1 . .
N2 C17 C16 123.7(5) . .
N2 C17 H17A 118.2 . .
C16 C17 H17A 118.2 . .
N2 C18 C19 121.9(5) . .
N2 C18 H18A 119.1 . .
C19 C18 H18A 119.1 . .
C15 C19 C18 119.5(5) . .
C15 C19 H19A 120.3 . .
C18 C19 H19A 120.3 . .
C24 C20 C21 119.3(4) . .
C24 C20 C9 122.0(4) . .
C21 C20 C9 118.7(4) . .
C22 C21 C20 118.6(5) . .
C22 C21 H21A 120.7 . .
C20 C21 H21A 120.7 . .
N3 C22 C21 122.8(5) . .
N3 C22 H22A 118.6 . .
C21 C22 H22A 118.6 . .
N3 C23 C24 123.9(5) . .
N3 C23 H23A 118.0 . .
C24 C23 H23A 118.0 . .
C20 C24 C23 117.4(5) . .
C20 C24 H24A 121.3 . .
C23 C24 H24A 121.3 . .
S1 O7 Ag1 164.5(3) . .
O7 S1 C26 105.3(3) . .
O7 S1 C25 106.3(3) . .
C26 S1 C25 99.1(4) . .
S1 C25 H25A 109.5 . .
S1 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
S1 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
S1 C26 H26A 109.5 . .
S1 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
S1 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O8 S2 C27 106.4(4) . .
O8 S2 C28 107.5(3) . .
C27 S2 C28 97.9(4) . .
S2 C28 H28A 109.5 . .
S2 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
S2 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
S2 C27 H27A 109.5 . .
S2 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
S2 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O9 S3 C30 106.0(4) . .
O9 S3 C29 108.0(4) . .
C30 S3 C29 95.3(7) . .
S3 C30 H30A 109.5 . .
S3 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
S3 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
S3 C29 H29A 109.5 . .
S3 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
S3 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C7 O1 C1 115.9(4) . .
C8 O2 C3 118.0(4) . .
C9 O3 C5 116.3(4) . .
O1W O3W' O3W 120(2) 2_557 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N3 2.256(4) 1_444
Ag1 N1 2.280(4) .
Ag1 N2 2.291(4) 1_554
Ag1 O7 2.594(4) .
N1 C12 1.335(7) .
N1 C13 1.336(7) .
N2 C18 1.322(7) .
N2 C17 1.326(7) .
N2 Ag1 2.291(4) 1_556
N3 C23 1.324(6) .
N3 C22 1.330(7) .
N3 Ag1 2.256(4) 1_666
Sb1 F5' 1.782(15) .
Sb1 F6 1.797(12) .
Sb1 F6' 1.797(15) .
Sb1 F2 1.808(7) .
Sb1 F1 1.813(10) .
Sb1 F3' 1.817(14) .
Sb1 F1' 1.828(14) .
Sb1 F5 1.830(10) .
Sb1 F4 1.837(6) .
Sb1 F3 1.878(7) .
C1 C6 1.380(6) .
C1 C2 1.387(7) .
C1 O1 1.399(5) .
C2 C3 1.377(7) .
C2 H2A 0.9500 .
C3 C4 1.377(7) .
C3 O2 1.411(5) .
C4 C5 1.373(7) .
C4 H4A 0.9500 .
C5 C6 1.371(7) .
C5 O3 1.413(5) .
C6 H6A 0.9500 .
C7 O4 1.185(6) .
C7 O1 1.368(6) .
C7 C10 1.487(6) .
C8 O5 1.189(6) .
C8 O2 1.341(6) .
C8 C15 1.492(7) .
C9 O6 1.187(6) .
C9 O3 1.353(6) .
C9 C20 1.501(6) .
C10 C11 1.381(7) .
C10 C14 1.400(6) .
C11 C12 1.376(7) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C14 1.386(7) .
C13 H13A 0.9500 .
C14 H14A 0.9500 .
C15 C19 1.376(7) .
C15 C16 1.388(7) .
C16 C17 1.389(7) .
C16 H16A 0.9500 .
C17 H17A 0.9500 .
C18 C19 1.396(8) .
C18 H18A 0.9500 .
C19 H19A 0.9500 .
C20 C24 1.378(7) .
C20 C21 1.385(7) .
C21 C22 1.374(7) .
C21 H21A 0.9500 .
C22 H22A 0.9500 .
C23 C24 1.383(7) .
C23 H23A 0.9500 .
C24 H24A 0.9500 .
O7 S1 1.495(4) .
S1 C26 1.770(7) .
S1 C25 1.771(7) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
S2 O8 1.473(4) .
S2 C27 1.769(8) .
S2 C28 1.775(8) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
S3 O9 1.502(5) .
S3 C30 1.710(10) .
S3 C29 1.781(10) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
O1W O3W' 1.44(3) 2_557
O3W O3W' 1.80(3) .
O3W' O1W 1.44(3) 2_557
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
N3 Ag1 N1 C12 124.8(4) 1_444
N2 Ag1 N1 C12 -59.0(4) 1_554
O7 Ag1 N1 C12 30.7(4) .
N3 Ag1 N1 C13 -69.0(4) 1_444
N2 Ag1 N1 C13 107.2(4) 1_554
O7 Ag1 N1 C13 -163.2(4) .
C6 C1 C2 C3 0.3(7) .
O1 C1 C2 C3 176.3(4) .
C1 C2 C3 C4 -0.5(7) .
C1 C2 C3 O2 173.3(4) .
C2 C3 C4 C5 0.8(7) .
O2 C3 C4 C5 -172.9(4) .
C3 C4 C5 C6 -0.9(7) .
C3 C4 C5 O3 -177.1(4) .
C4 C5 C6 C1 0.8(7) .
O3 C5 C6 C1 176.9(4) .
C2 C1 C6 C5 -0.5(7) .
O1 C1 C6 C5 -176.3(4) .
O4 C7 C10 C11 -179.0(5) .
O1 C7 C10 C11 1.1(7) .
O4 C7 C10 C14 2.2(8) .
O1 C7 C10 C14 -177.8(4) .
C14 C10 C11 C12 1.2(8) .
C7 C10 C11 C12 -177.6(5) .
C13 N1 C12 C11 -0.5(8) .
Ag1 N1 C12 C11 165.9(4) .
C10 C11 C12 N1 -0.7(8) .
C12 N1 C13 C14 1.1(8) .
Ag1 N1 C13 C14 -165.2(4) .
N1 C13 C14 C10 -0.5(8) .
C11 C10 C14 C13 -0.6(7) .
C7 C10 C14 C13 178.3(5) .
O5 C8 C15 C19 6.9(9) .
O2 C8 C15 C19 -173.3(5) .
O5 C8 C15 C16 -171.0(6) .
O2 C8 C15 C16 8.8(7) .
C19 C15 C16 C17 -0.3(8) .
C8 C15 C16 C17 177.6(5) .
C18 N2 C17 C16 1.0(8) .
Ag1 N2 C17 C16 -176.7(4) 1_556
C15 C16 C17 N2 -0.5(8) .
C17 N2 C18 C19 -0.6(9) .
Ag1 N2 C18 C19 177.1(5) 1_556
C16 C15 C19 C18 0.7(9) .
C8 C15 C19 C18 -177.3(5) .
N2 C18 C19 C15 -0.2(10) .
O6 C9 C20 C24 173.6(5) .
O3 C9 C20 C24 -4.5(7) .
O6 C9 C20 C21 -5.2(8) .
O3 C9 C20 C21 176.8(5) .
C24 C20 C21 C22 0.3(9) .
C9 C20 C21 C22 179.1(5) .
C23 N3 C22 C21 0.6(9) .
Ag1 N3 C22 C21 -179.9(5) 1_666
C20 C21 C22 N3 -0.6(9) .
C22 N3 C23 C24 -0.3(9) .
Ag1 N3 C23 C24 -179.8(4) 1_666
C21 C20 C24 C23 -0.1(8) .
C9 C20 C24 C23 -178.8(5) .
N3 C23 C24 C20 0.0(9) .
N3 Ag1 O7 S1 -29.4(12) 1_444
N1 Ag1 O7 S1 92.5(12) .
N2 Ag1 O7 S1 -151.9(12) 1_554
Ag1 O7 S1 C26 163.4(12) .
Ag1 O7 S1 C25 -92.0(12) .
O4 C7 O1 C1 9.6(7) .
C10 C7 O1 C1 -170.4(4) .
C6 C1 O1 C7 -110.1(5) .
C2 C1 O1 C7 73.8(5) .
O5 C8 O2 C3 3.5(8) .
C15 C8 O2 C3 -176.3(4) .
C4 C3 O2 C8 -84.8(6) .
C2 C3 O2 C8 101.1(5) .
O6 C9 O3 C5 -7.6(8) .
C20 C9 O3 C5 170.4(4) .
C6 C5 O3 C9 105.4(5) .
C4 C5 O3 C9 -78.2(5) .
