#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:02:58 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228995 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/97/7229737.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_7229737
loop_
_publ_author_name
'Shen, Yali'
'Zhang, Limei'
'Sun, Peipei'
'Liu, Shuzhen'
'Jiang, Wenqing'
'Jia, Dingxian'
_publ_section_title
;
 Iodoargentates from clusters to 1D chains and 2D layers induced by
 solvated lanthanide complex cations: syntheses, crystal structures, and
 photoluminescence properties
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              520
_journal_paper_doi               10.1039/C7CE01833A
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C14 H42 Ag5 I8 O7 S7 Yb'
_chemical_formula_sum            'C14 H42 Ag5 I8 O7 S7 Yb'
_chemical_formula_weight         2274.49
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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
_audit_update_record
;
2017-10-18 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 122.31(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.574(3)
_cell_length_b                   14.937(3)
_cell_length_c                   22.480(8)
_cell_measurement_reflns_used    25973
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      34.7989
_cell_measurement_theta_min      2.1437
_cell_volume                     4987(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      253(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_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  0.0786
_diffrn_reflns_av_sigmaI/netI    0.0631
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            38638
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    9.053
_exptl_absorpt_correction_T_max  0.2647
_exptl_absorpt_correction_T_min  0.0562
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    3.029
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4092
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.108
_refine_diff_density_min         -1.565
_refine_diff_density_rms         0.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         9097
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.218
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0552
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0420P)²+165.5918P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1165
_reflns_number_gt                7958
_reflns_number_total             9097
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ce01833a2.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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 7229734--7229739.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7229737
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
Ag1 Ag 0.0937(2) 0.2935(2) 0.18158(15) 0.0540(9) Uani 1 1 d .
Ag2 Ag 0.31330(18) 0.23871(19) 0.29242(15) 0.0689(8) Uani 1 1 d .
Ag3 Ag 0.2266(2) 0.2593(2) 0.1106(2) 0.0541(14) Uani 1 1 d .
Ag4 Ag 0.28612(17) 0.25661(16) -0.06976(14) 0.0615(7) Uani 1 1 d .
Ag5 Ag 0.1618(2) 0.1194(2) -0.18689(15) 0.0557(10) Uani 1 1 d .
I1 I 0.25237(13) 0.41660(13) 0.23607(12) 0.0561(6) Uani 1 1 d .
I2 I 0.04190(13) 0.22788(14) 0.05228(10) 0.0530(5) Uani 1 1 d .
I3 I -0.02269(13) 0.40060(14) 0.20502(12) 0.0565(5) Uani 1 1 d .
I4 I 0.35147(13) 0.13715(14) 0.20678(11) 0.0544(5) Uani 1 1 d .
I5 I 0.27410(14) 0.36242(13) 0.03106(10) 0.0521(5) Uani 1 1 d .
I6 I 0.23795(17) 0.08068(15) -0.04796(11) 0.0719(7) Uani 1 1 d .
I7 I 0.45636(13) 0.25905(16) -0.06352(11) 0.0628(6) Uani 1 1 d .
I8 I 0.16423(12) 0.34187(13) -0.20561(10) 0.0464(5) Uani 1 1 d .
Yb1 Yb 0.26146(7) 0.75092(7) 0.23308(5) 0.0536(3) Uani 1 1 d .
O1 O 0.2944(12) 0.7021(10) 0.1504(10) 0.060(5) Uani 1 1 d D
O2 O 0.3720(12) 0.8414(13) 0.2372(11) 0.069(6) Uani 1 1 d D
O3 O 0.3586(11) 0.6498(12) 0.3027(11) 0.056(6) Uani 1 1 d D
O4 O 0.3160(11) 0.8391(9) 0.3296(9) 0.049(4) Uani 1 1 d D
O5 O 0.1472(11) 0.6592(11) 0.1541(9) 0.052(5) Uani 1 1 d D
O6 O 0.1717(14) 0.8585(10) 0.1722(13) 0.071(7) Uani 1 1 d D
O7 O 0.1877(11) 0.7083(10) 0.2863(8) 0.068(4) Uani 1 1 d D
S1 S 0.2831(5) 0.6099(5) 0.1192(4) 0.0559(17) Uani 1 1 d D
S2 S 0.4348(5) 0.8264(5) 0.2111(4) 0.0670(18) Uani 1 1 d D
S3 S 0.4484(5) 0.6042(5) 0.3386(4) 0.072(2) Uani 1 1 d D
S4 S 0.3283(6) 0.9397(5) 0.3423(4) 0.067(2) Uani 1 1 d D
S5 S 0.0740(5) 0.6130(5) 0.1581(4) 0.065(2) Uani 1 1 d D
S6 S 0.1504(6) 0.9575(5) 0.1567(4) 0.079(2) Uani 1 1 d D
S7B S 0.2063(7) 0.6405(7) 0.3418(5) 0.085(2) Uani 0.50 1 d PD
S7A S 0.1903(12) 0.7213(16) 0.3537(9) 0.070(7) Uani 0.50 1 d PD
C1 C 0.3739(15) 0.602(2) 0.1069(16) 0.059(9) Uani 1 1 d D
H1A H 0.3798 0.6579 0.0882 0.089 Uiso 1 1 calc R
H1B H 0.3630 0.5547 0.0746 0.089 Uiso 1 1 calc R
H1C H 0.4284 0.5905 0.1512 0.089 Uiso 1 1 calc R
C2 C 0.1983(17) 0.628(3) 0.0308(10) 0.077(11) Uani 1 1 d D
H2A H 0.1418 0.6368 0.0270 0.115 Uiso 1 1 calc R
H2B H 0.1940 0.5762 0.0035 0.115 Uiso 1 1 calc R
H2C H 0.2127 0.6795 0.0134 0.115 Uiso 1 1 calc R
C3 C 0.378(3) 0.878(2) 0.1283(12) 0.084(14) Uani 1 1 d D
H3A H 0.3232 0.8470 0.0974 0.126 Uiso 1 1 calc R
H3B H 0.4158 0.8769 0.1091 0.126 Uiso 1 1 calc R
H3C H 0.3653 0.9393 0.1331 0.126 Uiso 1 1 calc R
C4 C 0.5249(19) 0.904(2) 0.2586(18) 0.078(11) Uani 1 1 d D
H4A H 0.5029 0.9637 0.2438 0.117 Uiso 1 1 calc R
H4B H 0.5714 0.8916 0.2496 0.117 Uiso 1 1 calc R
H4C H 0.5488 0.8980 0.3081 0.117 Uiso 1 1 calc R
C5 C 0.460(2) 0.542(2) 0.4088(15) 0.083(12) Uani 1 1 d D
H5A H 0.4471 0.5793 0.4370 0.125 Uiso 1 1 calc R
H5B H 0.5209 0.5201 0.4371 0.125 Uiso 1 1 calc R
H5C H 0.4193 0.4923 0.3910 0.125 Uiso 1 1 calc R
C6 C 0.5298(17) 0.6896(19) 0.3842(19) 0.095(12) Uani 1 1 d D
H6A H 0.5376 0.7232 0.3515 0.138 Uiso 1 1 calc R
H6B H 0.5861 0.6630 0.4190 0.138 Uiso 1 1 calc R
H6C H 0.5096 0.7289 0.4069 0.138 Uiso 1 1 calc R
C7 C 0.4458(14) 0.960(3) 0.388(2) 0.100(17) Uani 1 1 d D
H7A H 0.4755 0.9283 0.4316 0.147 Uiso 1 1 calc R
H7B H 0.4570 1.0228 0.3961 0.147 Uiso 1 1 calc R
H7C H 0.4684 0.9391 0.3595 0.147 Uiso 1 1 calc R
C8 C 0.310(2) 0.957(2) 0.4116(12) 0.066(10) Uani 1 1 d D
H8A H 0.2687 0.9127 0.4089 0.099 Uiso 1 1 calc R
H8B H 0.2856 1.0155 0.4075 0.099 Uiso 1 1 calc R
H8C H 0.3663 0.9516 0.4559 0.099 Uiso 1 1 calc R
C9 C 0.021(2) 0.5485(19) 0.0803(12) 0.078(12) Uani 1 1 d D
H9A H 0.0237 0.5797 0.0442 0.117 Uiso 1 1 calc R
H9B H -0.0409 0.5388 0.0652 0.117 Uiso 1 1 calc R
H9C H 0.0510 0.4919 0.0893 0.117 Uiso 1 1 calc R
C10 C -0.0066(19) 0.698(2) 0.1319(15) 0.090(11) Uani 1 1 d D
H10A H 0.0170 0.7448 0.1666 0.134 Uiso 1 1 calc R
H10B H -0.0601 0.6738 0.1274 0.134 Uiso 1 1 calc R
H10C H -0.0209 0.7220 0.0875 0.134 Uiso 1 1 calc R
C11 C 0.144(2) 0.974(3) 0.0769(12) 0.093(10) Uani 1 1 d D
H11A H 0.2040 0.9730 0.0852 0.142 Uiso 1 1 calc R
H11B H 0.1174 1.0316 0.0576 0.142 Uiso 1 1 calc R
H11C H 0.1087 0.9280 0.0442 0.142 Uiso 1 1 calc R
C12 C 0.0343(15) 0.965(3) 0.123(2) 0.112(18) Uani 1 1 d D
H12A H 0.0051 0.9109 0.0988 0.158 Uiso 1 1 calc R
H12B H 0.0094 1.0147 0.0907 0.158 Uiso 1 1 calc R
H12C H 0.0252 0.9747 0.1609 0.158 Uiso 1 1 calc R
C13 C 0.1064(14) 0.642(2) 0.3415(18) 0.084(12) Uani 1 1 d D
C14 C 0.286(2) 0.682(2) 0.4274(11) 0.085(18) Uani 1 1 d 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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 '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
I2 Ag1 Ag5 171.81(16) . 4_566
I2 Ag1 I3 122.29(13) . .
Ag5 Ag1 I3 59.80(10) 4_566 .
I2 Ag1 I8 114.76(12) . 4_566
Ag5 Ag1 I8 70.72(11) 4_566 4_566
I3 Ag1 I8 103.79(11) . 4_566
I2 Ag1 I1 111.35(12) . .
Ag5 Ag1 I1 60.81(10) 4_566 .
I3 Ag1 I1 100.48(10) . .
I8 Ag1 I1 101.39(10) 4_566 .
I4 Ag2 I7 113.46(11) . 4_566
I4 Ag2 I1 111.43(11) . .
I7 Ag2 I1 112.49(11) 4_566 .
I4 Ag2 I8 109.60(11) . 4_566
I7 Ag2 I8 104.05(11) 4_566 4_566
I1 Ag2 I8 105.16(10) . 4_566
I4 Ag2 Ag4 147.68(12) . 4_566
I7 Ag2 Ag4 55.14(8) 4_566 4_566
I1 Ag2 Ag4 100.48(10) . 4_566
I8 Ag2 Ag4 54.82(8) 4_566 4_566
I4 Ag3 I5 118.42(13) . .
I4 Ag3 I2 119.08(12) . .
I5 Ag3 I2 117.20(13) . .
I5 Ag4 I6 102.48(11) . .
I5 Ag4 I7 117.55(11) . .
I6 Ag4 I7 112.94(11) . .
I5 Ag4 I8 105.29(10) . .
I6 Ag4 I8 117.20(10) . .
I7 Ag4 I8 101.81(10) . .
I5 Ag4 Ag2 145.21(11) . 4_565
I6 Ag4 Ag2 111.91(11) . 4_565
I7 Ag4 Ag2 53.15(8) . 4_565
I8 Ag4 Ag2 54.32(8) . 4_565
I6 Ag5 I3 126.52(14) . 4_565
I6 Ag5 Ag1 164.93(17) . 4_565
I3 Ag5 Ag1 60.38(10) 4_565 4_565
I6 Ag5 I1 122.96(14) . 4_565
I3 Ag5 I1 101.83(11) 4_565 4_565
Ag1 Ag5 I1 62.22(10) 4_565 4_565
Ag2 I1 Ag5 76.47(10) . 4_566
Ag2 I1 Ag1 70.20(9) . .
Ag5 I1 Ag1 56.97(9) 4_566 .
Ag1 I2 Ag3 78.38(13) . .
Ag5 I3 Ag1 59.83(9) 4_566 .
Ag3 I4 Ag2 78.47(13) . .
Ag3 I5 Ag4 112.00(13) . .
Ag5 I6 Ag4 67.69(10) . .
Ag2 I7 Ag4 71.72(9) 4_565 .
Ag2 I8 Ag4 70.86(9) 4_565 .
Ag2 I8 Ag1 70.77(10) 4_565 4_565
Ag4 I8 Ag1 109.65(10) . 4_565
O6 Yb1 O3 175.0(8) . .
O6 Yb1 O4 88.0(8) . .
O3 Yb1 O4 87.0(7) . .
O6 Yb1 O7 96.5(7) . .
O3 Yb1 O7 82.9(7) . .
O4 Yb1 O7 74.2(6) . .
O6 Yb1 O5 85.0(8) . .
O3 Yb1 O5 99.6(7) . .
O4 Yb1 O5 146.8(6) . .
O7 Yb1 O5 74.4(6) . .
O6 Yb1 O2 84.5(8) . .
O3 Yb1 O2 93.3(8) . .
O4 Yb1 O2 73.0(6) . .
O7 Yb1 O2 147.1(6) . .
O5 Yb1 O2 138.1(6) . .
O6 Yb1 O1 97.8(8) . .
O3 Yb1 O1 85.6(8) . .
O4 Yb1 O1 141.6(6) . .
O7 Yb1 O1 141.6(6) . .
O5 Yb1 O1 71.6(5) . .
O2 Yb1 O1 69.9(5) . .
S1 O1 Yb1 128.8(10) . .
S2 O2 Yb1 131.5(10) . .
S3 O3 Yb1 153.4(14) . .
S4 O4 Yb1 134.3(10) . .
S5 O5 Yb1 130.6(9) . .
S6 O6 Yb1 151.6(15) . .
S7B O7 S7A 51.3(11) . .
S7B O7 Yb1 133.9(10) . .
S7A O7 Yb1 140.7(12) . .
O1 S1 C2 102.2(15) . .
O1 S1 C1 103.0(12) . .
C2 S1 C1 97.1(14) . .
O2 S2 C3 103.3(16) . .
O2 S2 C4 105.6(14) . .
C3 S2 C4 99.6(19) . .
O3 S3 C5 108.2(15) . .
O3 S3 C6 106.0(14) . .
C5 S3 C6 101.0(18) . .
O4 S4 C8 103.6(12) . .
O4 S4 C7 106.3(17) . .
C8 S4 C7 100.0(16) . .
O5 S5 C10 102.2(15) . .
O5 S5 C9 102.0(13) . .
C10 S5 C9 99.1(17) . .
O6 S6 C11 104.4(16) . .
O6 S6 C12 104.5(16) . .
C11 S6 C12 97.3(18) . .
S7A S7B O7 64.5(9) . .
S7A S7B C13 70.1(10) . .
O7 S7B C13 102.3(12) . .
S7A S7B C14 65.6(10) . .
O7 S7B C14 111.1(14) . .
C13 S7B C14 102.0(19) . .
S7B S7A O7 64.2(10) . .
S7B S7A C14 70.7(12) . .
O7 S7A C14 114.4(17) . .
S7B S7A C13 66.8(10) . .
O7 S7A C13 100.4(15) . .
C14 S7A C13 102.9(19) . .
S1 C1 H1A 109.5 . .
S1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
S1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
S1 C2 H2A 109.5 . .
S1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
S1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
S2 C3 H3A 109.5 . .
S2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
S2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
S2 C4 H4A 109.5 . .
S2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
S2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
S3 C5 H5A 109.5 . .
S3 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
S3 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
S3 C6 H6A 109.5 . .
S3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
S3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
S4 C7 H7A 109.5 . .
S4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
S4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
S4 C8 H8A 109.5 . .
S4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
S4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
S5 C9 H9A 109.5 . .
S5 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
S5 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
S5 C10 H10A 109.5 . .
S5 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
S5 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
S6 C11 H11A 109.5 . .
S6 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
S6 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
S6 C12 H12A 109.5 . .
S6 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
S6 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
S7B C13 S7A 43.0(9) . .
S7A C14 S7B 43.6(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 I2 2.722(3) .
Ag1 Ag5 2.844(4) 4_566
Ag1 I3 2.860(4) .
Ag1 I8 2.948(4) 4_566
Ag1 I1 3.001(4) .
Ag2 I4 2.800(4) .
Ag2 I7 2.847(4) 4_566
Ag2 I1 2.892(3) .
Ag2 I8 2.905(3) 4_566
Ag2 Ag4 3.379(4) 4_566
Ag3 I4 2.784(4) .
Ag3 I5 2.803(4) .
Ag3 I2 2.816(4) .
Ag4 I5 2.862(3) .
Ag4 I6 2.882(3) .
Ag4 I7 2.920(3) .
Ag4 I8 2.923(3) .
Ag4 Ag2 3.379(4) 4_565
Ag5 I6 2.722(4) .
Ag5 I3 2.843(4) 4_565
Ag5 Ag1 2.844(4) 4_565
Ag5 I1 2.961(4) 4_565
I1 Ag5 2.961(4) 4_566
I3 Ag5 2.843(4) 4_566
I7 Ag2 2.847(4) 4_565
I8 Ag2 2.905(3) 4_565
I8 Ag1 2.948(4) 4_565
Yb1 O6 2.153(16) .
Yb1 O3 2.188(16) .
Yb1 O4 2.267(15) .
Yb1 O7 2.276(13) .
Yb1 O5 2.292(15) .
Yb1 O2 2.328(16) .
Yb1 O1 2.339(15) .
O1 S1 1.510(14) .
O2 S2 1.517(14) .
O3 S3 1.499(14) .
O4 S4 1.523(13) .
O5 S5 1.504(13) .
O6 S6 1.520(14) .
O7 S7B 1.500(14) .
O7 S7A 1.504(16) .
S1 C2 1.754(17) .
S1 C1 1.764(16) .
S2 C3 1.754(17) .
S2 C4 1.782(17) .
S3 C5 1.745(18) .
S3 C6 1.777(17) .
S4 C8 1.767(17) .
S4 C7 1.773(18) .
S5 C10 1.754(17) .
S5 C9 1.763(17) .
S6 C11 1.759(17) .
S6 C12 1.760(18) .
S7B S7A 1.30(3) .
S7B C13 1.752(16) .
S7B C14 1.779(17) .
S7A C14 1.716(19) .
S7A C13 1.792(18) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
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
_geom_torsion_site_symmetry_4
I4 Ag2 I1 Ag5 150.88(12) . 4_566
I7 Ag2 I1 Ag5 -80.41(12) 4_566 4_566
I8 Ag2 I1 Ag5 32.21(10) 4_566 4_566
Ag4 Ag2 I1 Ag5 -23.95(9) 4_566 4_566
I4 Ag2 I1 Ag1 91.49(12) . .
I7 Ag2 I1 Ag1 -139.80(13) 4_566 .
I8 Ag2 I1 Ag1 -27.18(10) 4_566 .
Ag4 Ag2 I1 Ag1 -83.34(10) 4_566 .
I2 Ag1 I1 Ag2 -96.20(13) . .
Ag5 Ag1 I1 Ag2 86.42(11) 4_566 .
I3 Ag1 I1 Ag2 132.84(12) . .
I8 Ag1 I1 Ag2 26.31(10) 4_566 .
I2 Ag1 I1 Ag5 177.38(16) . 4_566
I3 Ag1 I1 Ag5 46.42(10) . 4_566
I8 Ag1 I1 Ag5 -60.11(11) 4_566 4_566
Ag5 Ag1 I2 Ag3 44.0(11) 4_566 .
I3 Ag1 I2 Ag3 146.31(15) . .
I8 Ag1 I2 Ag3 -86.68(13) 4_566 .
I1 Ag1 I2 Ag3 27.76(12) . .
I4 Ag3 I2 Ag1 78.49(19) . .
I5 Ag3 I2 Ag1 -127.60(18) . .
I2 Ag1 I3 Ag5 -170.73(19) . 4_566
I8 Ag1 I3 Ag5 57.57(12) 4_566 4_566
I1 Ag1 I3 Ag5 -47.04(11) . 4_566
I5 Ag3 I4 Ag2 125.33(18) . .
I2 Ag3 I4 Ag2 -81.08(18) . .
I7 Ag2 I4 Ag3 -153.70(13) 4_566 .
I1 Ag2 I4 Ag3 -25.50(12) . .
I8 Ag2 I4 Ag3 90.48(12) 4_566 .
Ag4 Ag2 I4 Ag3 145.0(2) 4_566 .
I4 Ag3 I5 Ag4 69.5(2) . .
I2 Ag3 I5 Ag4 -84.63(18) . .
I6 Ag4 I5 Ag3 1.30(14) . .
I7 Ag4 I5 Ag3 -123.16(12) . .
I8 Ag4 I5 Ag3 124.38(11) . .
Ag2 Ag4 I5 Ag3 172.60(17) 4_565 .
I3 Ag5 I6 Ag4 -130.3(2) 4_565 .
Ag1 Ag5 I6 Ag4 -17.7(6) 4_565 .
I1 Ag5 I6 Ag4 88.08(15) 4_565 .
I5 Ag4 I6 Ag5 138.28(13) . .
I7 Ag4 I6 Ag5 -94.26(13) . .
I8 Ag4 I6 Ag5 23.60(14) . .
Ag2 Ag4 I6 Ag5 -36.39(13) 4_565 .
I5 Ag4 I7 Ag2 -140.04(12) . 4_565
I6 Ag4 I7 Ag2 100.90(12) . 4_565
I8 Ag4 I7 Ag2 -25.65(10) . 4_565
I5 Ag4 I8 Ag2 148.41(11) . 4_565
I6 Ag4 I8 Ag2 -98.48(13) . 4_565
I7 Ag4 I8 Ag2 25.24(10) . 4_565
I5 Ag4 I8 Ag1 -151.20(10) . 4_565
I6 Ag4 I8 Ag1 -38.09(15) . 4_565
I7 Ag4 I8 Ag1 85.63(11) . 4_565
Ag2 Ag4 I8 Ag1 60.39(10) 4_565 4_565
O6 Yb1 O1 S1 -123.9(15) . .
O3 Yb1 O1 S1 59.9(15) . .
O4 Yb1 O1 S1 139.4(12) . .
O7 Yb1 O1 S1 -13(2) . .
O5 Yb1 O1 S1 -41.8(14) . .
O2 Yb1 O1 S1 155.0(17) . .
O6 Yb1 O2 S2 -119.4(18) . .
O3 Yb1 O2 S2 65.2(18) . .
O4 Yb1 O2 S2 151.0(19) . .
O7 Yb1 O2 S2 147.1(12) . .
O5 Yb1 O2 S2 -43(2) . .
O1 Yb1 O2 S2 -18.9(16) . .
O6 Yb1 O3 S3 -82(10) . .
O4 Yb1 O3 S3 -91(3) . .
O7 Yb1 O3 S3 -166(3) . .
O5 Yb1 O3 S3 121(3) . .
O2 Yb1 O3 S3 -19(3) . .
O1 Yb1 O3 S3 51(3) . .
O6 Yb1 O4 S4 -31.4(15) . .
O3 Yb1 O4 S4 147.8(15) . .
O7 Yb1 O4 S4 -128.7(15) . .
O5 Yb1 O4 S4 -109.2(15) . .
O2 Yb1 O4 S4 53.5(14) . .
O1 Yb1 O4 S4 68.7(19) . .
O6 Yb1 O5 S5 -95.9(16) . .
O3 Yb1 O5 S5 82.1(16) . .
O4 Yb1 O5 S5 -17(2) . .
O7 Yb1 O5 S5 2.3(14) . .
O2 Yb1 O5 S5 -171.9(12) . .
O1 Yb1 O5 S5 164.1(17) . .
O3 Yb1 O6 S6 26(12) . .
O4 Yb1 O6 S6 35(3) . .
O7 Yb1 O6 S6 109(3) . .
O5 Yb1 O6 S6 -177(3) . .
O2 Yb1 O6 S6 -38(3) . .
O1 Yb1 O6 S6 -107(3) . .
O6 Yb1 O7 S7B -175.5(15) . .
O3 Yb1 O7 S7B -0.5(15) . .
O4 Yb1 O7 S7B -89.4(15) . .
O5 Yb1 O7 S7B 101.6(15) . .
O2 Yb1 O7 S7B -85.5(18) . .
O1 Yb1 O7 S7B 73.2(18) . .
O6 Yb1 O7 S7A -97(2) . .
O3 Yb1 O7 S7A 78(2) . .
O4 Yb1 O7 S7A -11(2) . .
O5 Yb1 O7 S7A -180(2) . .
O2 Yb1 O7 S7A -7(3) . .
O1 Yb1 O7 S7A 151.9(19) . .
Yb1 O1 S1 C2 113.2(16) . .
Yb1 O1 S1 C1 -146.4(15) . .
Yb1 O2 S2 C3 96(2) . .
Yb1 O2 S2 C4 -159.9(18) . .
Yb1 O3 S3 C5 162(3) . .
Yb1 O3 S3 C6 55(3) . .
Yb1 O4 S4 C8 146.6(15) . .
Yb1 O4 S4 C7 -108.6(18) . .
Yb1 O5 S5 C10 82.6(17) . .
Yb1 O5 S5 C9 -175.1(16) . .
Yb1 O6 S6 C11 110(3) . .
Yb1 O6 S6 C12 -148(3) . .
Yb1 O7 S7B S7A 127.3(17) . .
S7A O7 S7B C13 60.7(13) . .
Yb1 O7 S7B C13 -172.0(16) . .
S7A O7 S7B C14 -47.6(16) . .
Yb1 O7 S7B C14 80(2) . .
C13 S7B S7A O7 -115.1(15) . .
C14 S7B S7A O7 130.9(18) . .
O7 S7B S7A C14 -130.9(18) . .
C13 S7B S7A C14 114(2) . .
O7 S7B S7A C13 115.1(15) . .
C14 S7B S7A C13 -114(2) . .
Yb1 O7 S7A S7B -115.0(19) . .
S7B O7 S7A C14 51.6(17) . .
Yb1 O7 S7A C14 -63(3) . .
S7B O7 S7A C13 -57.8(12) . .
Yb1 O7 S7A C13 -172.9(15) . .
O7 S7B C13 S7A -56.8(12) . .
C14 S7B C13 S7A 58.3(12) . .
O7 S7A C13 S7B 56.0(12) . .
C14 S7A C13 S7B -62.2(15) . .
O7 S7A C14 S7B -48.4(15) . .
C13 S7A C14 S7B 59.5(14) . .
O7 S7B C14 S7A 47.0(15) . .
C13 S7B C14 S7A -61.4(13) . .
