# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_aa
_database_code_depnum_ccdc_archive 'CCDC 1976991'
loop_
_audit_author_name
_audit_author_address
'Pengfei Hao'
;School of Chemical and Material Science, Shanxi Normal University
China
;
_audit_update_record             
;
2020-01-12 deposited with the CCDC.	2020-06-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(Ag2.50 I4), 2(C16 H38 Eu O8 S8), Ag2 I5'
_chemical_formula_sum            'C32 H76 Ag7 Eu2 I13 O16 S16'
_chemical_formula_weight         3938.62

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'
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'
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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c  '
_symmetry_space_group_name_Hall  '-C 2yc  '

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'

_cell_length_a                   43.352(7)
_cell_length_b                   12.991(2)
_cell_length_c                   18.555(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.839(4)
_cell_angle_gamma                90.00
_cell_volume                     10228(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9925
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      28.09

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7184
_exptl_absorpt_coefficient_mu    6.807
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.484
_exptl_absorpt_correction_T_max  0.580
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            71499
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0376
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_h_max       57
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.24
_diffrn_reflns_theta_max         28.35
_reflns_number_total             12786
_reflns_number_gt                10070
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1412P)²+504.0607P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12712
_refine_ls_number_parameters     420
_refine_ls_number_restraints     426
_refine_ls_R_factor_all          0.1122
_refine_ls_R_factor_gt           0.0944
_refine_ls_wR_factor_ref         0.2740
_refine_ls_wR_factor_gt          0.2588
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.130
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.24271(4) 0.88239(12) 0.13136(8) 0.0645(3) Uani 1 1 d U . .
Ag2 Ag 0.25454(4) 0.65054(13) 0.14244(9) 0.0701(4) Uani 1 1 d U . .
Ag3 Ag 0.98594(5) 0.74505(14) 0.67448(8) 0.0734(4) Uani 1 1 d U . .
Ag4 Ag 0.27038(11) 0.7628(3) 0.01005(19) 0.0825(6) Uani 0.50 1 d PU . .
Eu1 Eu 0.113251(14) 0.74105(5) 0.42839(3) 0.02983(17) Uani 1 1 d DU . .
I1 I 0.23855(5) 0.96763(12) -0.01479(7) 0.0796(4) Uani 1 1 d U . .
I2 I 0.22998(4) 1.03609(13) 0.22706(8) 0.0746(4) Uani 1 1 d U . .
I3 I 0.19200(3) 0.73380(12) 0.10935(9) 0.0731(4) Uani 1 1 d U . .
I4 I 0.30519(3) 0.79999(11) 0.16326(8) 0.0685(3) Uani 1 1 d U . .
I5 I 0.95880(3) 0.75082(10) 0.52848(6) 0.0627(3) Uani 1 1 d U . .
I6 I 1.0000 0.54610(14) 0.7500 0.0642(4) Uani 1 2 d SU . .
I7 I 0.95151(3) 0.84530(12) 0.77895(7) 0.0674(4) Uani 1 1 d U . .
C1 C 0.1413(8) 1.015(2) 0.6182(17) 0.118(6) Uani 1 1 d U . .
H1A H 0.1208 1.0238 0.6295 0.178 Uiso 1 1 calc R . .
H1B H 0.1436 1.0616 0.5794 0.178 Uiso 1 1 calc R . .
H1C H 0.1571 1.0299 0.6613 0.178 Uiso 1 1 calc R . .
C2 C 0.1364(8) 0.817(2) 0.6660(16) 0.106(5) Uani 1 1 d U . .
H2A H 0.1183 0.8478 0.6797 0.160 Uiso 1 1 calc R . .
H2B H 0.1540 0.8200 0.7068 0.160 Uiso 1 1 calc R . .
H2C H 0.1318 0.7462 0.6526 0.160 Uiso 1 1 calc R . .
C3 C 0.0255(7) 0.597(2) 0.4479(14) 0.088(5) Uani 1 1 d U . .
H3A H 0.0255 0.6309 0.4019 0.131 Uiso 1 1 calc R . .
H3B H 0.0047 0.5995 0.4583 0.131 Uiso 1 1 calc R . .
H3C H 0.0319 0.5267 0.4450 0.131 Uiso 1 1 calc R . .
C4 C 0.0516(6) 0.5715(19) 0.5925(13) 0.081(5) Uani 1 1 d U . .
H4A H 0.0521 0.5027 0.5740 0.122 Uiso 1 1 calc R . .
H4B H 0.0326 0.5814 0.6108 0.122 Uiso 1 1 calc R . .
H4C H 0.0696 0.5823 0.6317 0.122 Uiso 1 1 calc R . .
C5 C 0.1961(7) 0.587(3) 0.6262(17) 0.121(6) Uani 1 1 d U . .
H5A H 0.2137 0.6287 0.6489 0.181 Uiso 1 1 calc R . .
H5B H 0.2026 0.5163 0.6263 0.181 Uiso 1 1 calc R . .
H5C H 0.1796 0.5935 0.6532 0.181 Uiso 1 1 calc R . .
C6 C 0.2131(6) 0.737(3) 0.5303(19) 0.116(4) Uani 1 1 d U . .
H6A H 0.2061 0.8045 0.5219 0.139 Uiso 1 1 calc R . .
H6B H 0.2343 0.7218 0.5349 0.139 Uiso 1 1 calc R . .
C7 C 0.1231(6) 0.394(2) 0.4644(17) 0.096(5) Uani 1 1 d U . .
H7A H 0.1146 0.3261 0.4634 0.144 Uiso 1 1 calc R . .
H7B H 0.1251 0.4229 0.5128 0.144 Uiso 1 1 calc R . .
H7C H 0.1435 0.3916 0.4519 0.144 Uiso 1 1 calc R . .
C8 C 0.0982(6) 0.400(2) 0.3225(16) 0.095(5) Uani 1 1 d U . .
H8A H 0.0842 0.4312 0.2814 0.143 Uiso 1 1 calc R . .
H8B H 0.0912 0.3315 0.3295 0.143 Uiso 1 1 calc R . .
H8C H 0.1191 0.3982 0.3131 0.143 Uiso 1 1 calc R . .
C9 C 0.1790(5) 0.592(2) 0.3082(15) 0.087(3) Uani 1 1 d U . .
H9 H 0.1785 0.5278 0.2855 0.105 Uiso 1 1 calc R . .
C10 C 0.2124(5) 0.761(2) 0.3352(15) 0.086(3) Uani 1 1 d U . .
H10A H 0.2271 0.7251 0.3110 0.103 Uiso 1 1 calc R . .
H10B H 0.2176 0.8312 0.3503 0.103 Uiso 1 1 calc R . .
C15 C 0.0184(5) 0.9529(19) 0.3631(14) 0.085(5) Uani 1 1 d U . .
H15A H 0.0218 0.9464 0.3137 0.127 Uiso 1 1 calc R . .
H15B H 0.0105 1.0206 0.3698 0.127 Uiso 1 1 calc R . .
H15C H 0.0033 0.9025 0.3713 0.127 Uiso 1 1 calc R . .
C16 C 0.0417(6) 0.9363(18) 0.5112(13) 0.077(4) Uani 1 1 d U . .
H16A H 0.0211 0.9055 0.5045 0.115 Uiso 1 1 calc R . .
H16B H 0.0406 1.0064 0.5269 0.115 Uiso 1 1 calc R . .
H16C H 0.0561 0.8986 0.5479 0.115 Uiso 1 1 calc R . .
O1 O 0.1194(3) 0.8661(12) 0.5234(8) 0.080(2) Uani 1 1 d U . .
O2 O 0.0850(3) 0.6448(11) 0.5010(9) 0.075(2) Uani 1 1 d U . .
O3 O 0.1534(3) 0.6845(13) 0.5280(7) 0.076(2) Uani 1 1 d U . .
O4 O 0.1184(3) 0.5651(9) 0.3980(9) 0.0707(19) Uani 1 1 d U . .
O5 O 0.1613(3) 0.7399(10) 0.3838(9) 0.0667(19) Uani 1 1 d U . .
O6 O 0.0890(4) 0.7123(14) 0.3045(7) 0.081(2) Uani 1 1 d U . .
O7 O 0.1170(3) 0.9056(10) 0.3721(10) 0.077(2) Uani 1 1 d U . .
O8 O 0.0620(2) 0.8199(9) 0.4145(8) 0.0552(17) Uani 1 1 d U . .
S1 S 0.14568(18) 0.8846(5) 0.5893(3) 0.0909(18) Uani 1 1 d U . .
S2 S 0.05260(11) 0.6612(3) 0.5201(3) 0.0561(10) Uani 1 1 d U . .
S3 S 0.18288(15) 0.6265(6) 0.5384(4) 0.0984(19) Uani 1 1 d U . .
S4 S 0.09808(12) 0.4718(3) 0.4007(4) 0.0691(13) Uani 1 1 d U . .
S5 S 0.1720(2) 0.7220(10) 0.3160(7) 0.0734(17) Uani 0.50 1 d PDU . .
S51 S 0.1887(3) 0.6883(12) 0.3831(8) 0.085(2) Uani 0.50 1 d PU . .
S6 S 0.0682(3) 0.7636(9) 0.2450(4) 0.134(3) Uani 1 1 d U . .
S7 S 0.14323(19) 0.9813(5) 0.3995(5) 0.0856(17) Uani 0.90 1 d PU . .
S71 S 0.1269(15) 0.999(4) 0.339(4) 0.079(2) Uani 0.10 1 d PU . .
S8 S 0.05477(10) 0.9332(3) 0.4270(3) 0.0550(10) Uani 1 1 d U . .
C14 C 0.1235(7) 1.1040(19) 0.4035(16) 0.093(3) Uani 1 1 d U . .
H14A H 0.1350 1.1675 0.4011 0.112 Uiso 1 1 calc R . .
H14B H 0.1051 1.1074 0.4258 0.112 Uiso 1 1 calc R . .
C13 C 0.1605(6) 1.0080(19) 0.3312(16) 0.090(3) Uani 1 1 d U . .
H13 H 0.1771 1.0194 0.3075 0.108 Uiso 1 1 calc R . .
C11 C 0.0465(8) 0.686(3) 0.1872(15) 0.124(6) Uani 1 1 d U . .
H11A H 0.0543 0.6576 0.1484 0.148 Uiso 1 1 calc R . .
H11B H 0.0262 0.6688 0.1930 0.148 Uiso 1 1 calc R . .
C12 C 0.0922(9) 0.765(3) 0.2184(13) 0.111(3) Uani 1 1 d U . .
H12 H 0.1102 0.7659 0.1985 0.133 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 I2 2.801(2) . ?
Ag1 I4 2.859(2) . ?
Ag1 I3 2.891(2) . ?
Ag1 I1 2.900(2) . ?
Ag1 Ag2 3.055(2) . ?
Ag1 Ag4 3.167(4) . ?
Ag1 Ag4 3.186(4) 7_565 ?
Ag2 I2 2.803(2) 4_545 ?
Ag2 I3 2.866(2) . ?
Ag2 I1 2.889(2) 7_565 ?
Ag2 I4 2.897(2) . ?
Ag2 Ag4 3.031(4) 7_565 ?
Ag2 Ag4 3.053(4) . ?
Ag3 I5 2.7240(19) . ?
Ag3 Ag3 2.818(3) 2_756 ?
Ag3 I6 2.944(2) . ?
Ag3 I7 2.972(2) 2_756 ?
Ag3 I7 2.978(2) . ?
Ag4 Ag4 1.761(10) 7_565 ?
Ag4 I4 2.972(4) . ?
Ag4 I1 2.990(4) . ?
Ag4 I3 3.008(4) 7_565 ?
Ag4 I1 3.022(4) 7_565 ?
Ag4 Ag2 3.031(4) 7_565 ?
Ag4 Ag1 3.186(4) 7_565 ?
Eu1 O6 2.353(13) . ?
Eu1 O2 2.358(11) . ?
Eu1 O1 2.372(12) . ?
Eu1 O4 2.376(11) . ?
Eu1 O3 2.380(12) . ?
Eu1 O5 2.393(11) . ?
Eu1 O7 2.399(11) . ?
Eu1 O8 2.412(10) . ?
I1 Ag2 2.889(2) 7_565 ?
I1 Ag4 3.022(4) 7_565 ?
I2 Ag2 2.803(2) 4 ?
I3 Ag4 3.008(4) 7_565 ?
I6 Ag3 2.944(2) 2_756 ?
I7 Ag3 2.972(2) 2_756 ?
C1 S1 1.80(3) . ?
C2 S1 1.79(3) . ?
C3 S2 1.79(2) . ?
C4 S2 1.79(2) . ?
C5 S3 1.69(3) . ?
C6 S3 1.97(4) . ?
C7 S4 1.75(3) . ?
C8 S4 1.72(2) . ?
C9 S5 1.73(3) . ?
C9 S51 1.85(3) . ?
C10 S51 1.76(3) . ?
C10 S5 1.79(2) . ?
C15 S8 1.79(2) . ?
C16 S8 1.77(2) . ?
O1 S1 1.510(14) . ?
O2 S2 1.531(13) . ?
O3 S3 1.463(14) . ?
O4 S4 1.505(13) . ?
O5 S51 1.368(16) . ?
O5 S5 1.446(17) . ?
O6 S6 1.439(18) . ?
O6 C12 1.77(3) . ?
O7 S71 1.46(5) . ?
O7 S7 1.510(15) . ?
O8 S8 1.533(12) . ?
S5 S51 1.378(19) . ?
S6 C12 1.24(4) . ?
S6 C11 1.63(3) . ?
S7 S71 1.22(7) . ?
S7 C13 1.63(3) . ?
S7 C14 1.82(3) . ?
S71 C13 1.50(6) . ?
S71 C14 1.84(7) . ?

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
_geom_angle_publ_flag
I2 Ag1 I4 115.92(7) . . ?
I2 Ag1 I3 108.81(7) . . ?
I4 Ag1 I3 116.10(7) . . ?
I2 Ag1 I1 109.75(7) . . ?
I4 Ag1 I1 102.19(7) . . ?
I3 Ag1 I1 102.90(7) . . ?
I2 Ag1 Ag2 135.42(7) . . ?
I4 Ag1 Ag2 58.54(5) . . ?
I3 Ag1 Ag2 57.56(5) . . ?
I1 Ag1 Ag2 114.63(6) . . ?
I2 Ag1 Ag4 162.36(10) . . ?
I4 Ag1 Ag4 58.84(9) . . ?
I3 Ag1 Ag4 87.70(10) . . ?
I1 Ag1 Ag4 58.85(8) . . ?
Ag2 Ag1 Ag4 58.75(8) . . ?
I2 Ag1 Ag4 156.77(11) . 7_565 ?
I4 Ag1 Ag4 87.14(9) . 7_565 ?
I3 Ag1 Ag4 59.11(9) . 7_565 ?
I1 Ag1 Ag4 59.31(8) . 7_565 ?
Ag2 Ag1 Ag4 58.06(8) . 7_565 ?
Ag4 Ag1 Ag4 32.19(17) . 7_565 ?
I2 Ag2 I3 115.69(7) 4_545 . ?
I2 Ag2 I1 112.31(7) 4_545 7_565 ?
I3 Ag2 I1 106.11(7) . 7_565 ?
I2 Ag2 I4 101.52(7) 4_545 . ?
I3 Ag2 I4 115.69(7) . . ?
I1 Ag2 I4 105.21(7) 7_565 . ?
I2 Ag2 Ag4 168.46(11) 4_545 7_565 ?
I3 Ag2 Ag4 61.27(9) . 7_565 ?
I1 Ag2 Ag4 60.61(8) 7_565 7_565 ?
I4 Ag2 Ag4 89.47(10) . 7_565 ?
I2 Ag2 Ag4 153.48(11) 4_545 . ?
I3 Ag2 Ag4 90.37(10) . . ?
I1 Ag2 Ag4 61.05(8) 7_565 . ?
I4 Ag2 Ag4 59.86(10) . . ?
Ag4 Ag2 Ag4 33.65(18) 7_565 . ?
I2 Ag2 Ag1 126.03(8) 4_545 . ?
I3 Ag2 Ag1 58.35(5) . . ?
I1 Ag2 Ag1 120.86(7) 7_565 . ?
I4 Ag2 Ag1 57.34(5) . . ?
Ag4 Ag2 Ag1 63.13(8) 7_565 . ?
Ag4 Ag2 Ag1 62.45(8) . . ?
I5 Ag3 Ag3 178.43(5) . 2_756 ?
I5 Ag3 I6 120.17(7) . . ?
Ag3 Ag3 I6 61.41(4) 2_756 . ?
I5 Ag3 I7 117.34(7) . 2_756 ?
Ag3 Ag3 I7 61.84(7) 2_756 2_756 ?
I6 Ag3 I7 99.14(6) . 2_756 ?
I5 Ag3 I7 117.61(7) . . ?
Ag3 Ag3 I7 61.63(7) 2_756 . ?
I6 Ag3 I7 99.01(6) . . ?
I7 Ag3 I7 99.70(7) 2_756 . ?
Ag4 Ag4 I4 121.6(3) 7_565 . ?
Ag4 Ag4 I1 74.0(2) 7_565 . ?
I4 Ag4 I1 97.49(11) . . ?
Ag4 Ag4 I3 121.3(3) 7_565 7_565 ?
I4 Ag4 I3 117.16(16) . 7_565 ?
I1 Ag4 I3 100.14(12) . 7_565 ?
Ag4 Ag4 I1 72.0(2) 7_565 7_565 ?
I4 Ag4 I1 100.16(12) . 7_565 ?
I1 Ag4 I1 145.93(18) . 7_565 ?
I3 Ag4 I1 97.37(11) 7_565 7_565 ?
Ag4 Ag4 Ag2 73.9(2) 7_565 7_565 ?
I4 Ag4 Ag2 147.81(15) . 7_565 ?
I1 Ag4 Ag2 57.35(8) . 7_565 ?
I3 Ag4 Ag2 56.66(8) 7_565 7_565 ?
I1 Ag4 Ag2 111.84(13) 7_565 7_565 ?
Ag4 Ag4 Ag2 72.5(2) 7_565 . ?
I4 Ag4 Ag2 57.45(8) . . ?
I1 Ag4 Ag2 112.10(12) . . ?
I3 Ag4 Ag2 147.65(15) 7_565 . ?
I1 Ag4 Ag2 56.79(8) 7_565 . ?
Ag2 Ag4 Ag2 146.35(18) 7_565 . ?
Ag4 Ag4 Ag1 74.5(2) 7_565 . ?
I4 Ag4 Ag1 55.41(7) . . ?
I1 Ag4 Ag1 56.12(7) . . ?
I3 Ag4 Ag1 149.06(15) 7_565 . ?
I1 Ag4 Ag1 113.32(12) 7_565 . ?
Ag2 Ag4 Ag1 111.51(13) 7_565 . ?
Ag2 Ag4 Ag1 58.80(8) . . ?
Ag4 Ag4 Ag1 73.3(2) 7_565 7_565 ?
I4 Ag4 Ag1 148.63(15) . 7_565 ?
I1 Ag4 Ag1 113.66(13) . 7_565 ?
I3 Ag4 Ag1 55.55(7) 7_565 7_565 ?
I1 Ag4 Ag1 55.63(8) 7_565 7_565 ?
Ag2 Ag4 Ag1 58.80(8) 7_565 7_565 ?
Ag2 Ag4 Ag1 110.39(13) . 7_565 ?
Ag1 Ag4 Ag1 147.81(17) . 7_565 ?
O6 Eu1 O2 107.1(6) . . ?
O6 Eu1 O1 142.6(6) . . ?
O2 Eu1 O1 86.0(6) . . ?
O6 Eu1 O4 70.2(6) . . ?
O2 Eu1 O4 73.2(5) . . ?
O1 Eu1 O4 146.5(6) . . ?
O6 Eu1 O3 145.0(6) . . ?
O2 Eu1 O3 77.0(6) . . ?
O1 Eu1 O3 71.4(5) . . ?
O4 Eu1 O3 78.3(6) . . ?
O6 Eu1 O5 84.7(6) . . ?
O2 Eu1 O5 141.8(5) . . ?
O1 Eu1 O5 106.8(5) . . ?
O4 Eu1 O5 77.3(5) . . ?
O3 Eu1 O5 73.6(5) . . ?
O6 Eu1 O7 76.9(6) . . ?
O2 Eu1 O7 144.2(5) . . ?
O1 Eu1 O7 72.9(6) . . ?
O4 Eu1 O7 137.4(6) . . ?
O3 Eu1 O7 120.6(6) . . ?
O5 Eu1 O7 73.3(5) . . ?
O6 Eu1 O8 75.3(5) . . ?
O2 Eu1 O8 73.2(4) . . ?
O1 Eu1 O8 75.4(4) . . ?
O4 Eu1 O8 120.9(4) . . ?
O3 Eu1 O8 136.4(5) . . ?
O5 Eu1 O8 144.4(5) . . ?
O7 Eu1 O8 73.7(4) . . ?
Ag2 I1 Ag1 124.51(7) 7_565 . ?
Ag2 I1 Ag4 62.04(8) 7_565 . ?
Ag1 I1 Ag4 65.03(8) . . ?
Ag2 I1 Ag4 62.16(8) 7_565 7_565 ?
Ag1 I1 Ag4 65.06(8) . 7_565 ?
Ag4 I1 Ag4 34.07(18) . 7_565 ?
Ag1 I2 Ag2 151.92(8) . 4 ?
Ag2 I3 Ag1 64.10(6) . . ?
Ag2 I3 Ag4 62.07(9) . 7_565 ?
Ag1 I3 Ag4 65.34(10) . 7_565 ?
Ag1 I4 Ag2 64.11(6) . . ?
Ag1 I4 Ag4 65.76(9) . . ?
Ag2 I4 Ag4 62.69(9) . . ?
Ag3 I6 Ag3 57.19(7) 2_756 . ?
Ag3 I7 Ag3 56.52(6) 2_756 . ?
S5 C9 S51 45.0(9) . . ?
S51 C10 S5 45.7(8) . . ?
S1 O1 Eu1 131.4(8) . . ?
S2 O2 Eu1 131.9(7) . . ?
S3 O3 Eu1 137.8(9) . . ?
S4 O4 Eu1 133.1(7) . . ?
S51 O5 S5 58.6(9) . . ?
S51 O5 Eu1 145.8(11) . . ?
S5 O5 Eu1 139.4(11) . . ?
S6 O6 C12 44.0(13) . . ?
S6 O6 Eu1 139.5(12) . . ?
C12 O6 Eu1 136.0(14) . . ?
S71 O7 S7 48(3) . . ?
S71 O7 Eu1 167(3) . . ?
S7 O7 Eu1 123.2(8) . . ?
S8 O8 Eu1 127.2(6) . . ?
O1 S1 C2 108.0(13) . . ?
O1 S1 C1 106.4(12) . . ?
C2 S1 C1 99.9(16) . . ?
O2 S2 C4 104.4(10) . . ?
O2 S2 C3 104.6(11) . . ?
C4 S2 C3 98.4(12) . . ?
O3 S3 C5 113.4(12) . . ?
O3 S3 C6 101.0(12) . . ?
C5 S3 C6 101.2(16) . . ?
O4 S4 C8 107.7(12) . . ?
O4 S4 C7 101.4(11) . . ?
C8 S4 C7 98.7(15) . . ?
S51 S5 O5 57.9(9) . . ?
S51 S5 C9 72.3(13) . . ?
O5 S5 C9 108.9(12) . . ?
S51 S5 C10 66.2(11) . . ?
O5 S5 C10 104.9(12) . . ?
C9 S5 C10 96.2(12) . . ?
O5 S51 S5 63.6(10) . . ?
O5 S51 C10 109.9(14) . . ?
S5 S51 C10 68.2(11) . . ?
O5 S51 C9 106.0(12) . . ?
S5 S51 C9 62.7(11) . . ?
C10 S51 C9 92.8(13) . . ?
C12 S6 O6 82.3(14) . . ?
C12 S6 C11 100(2) . . ?
O6 S6 C11 113.8(15) . . ?
S71 S7 O7 64(2) . . ?
S71 S7 C13 61(3) . . ?
O7 S7 C13 108.0(12) . . ?
S71 S7 C14 72(3) . . ?
O7 S7 C14 104.9(11) . . ?
C13 S7 C14 98.1(13) . . ?
S7 S71 O7 68(3) . . ?
S7 S71 C13 73(4) . . ?
O7 S71 C13 119(4) . . ?
S7 S71 C14 70(3) . . ?
O7 S71 C14 106(4) . . ?
C13 S71 C14 102(4) . . ?
O8 S8 C16 105.6(9) . . ?
O8 S8 C15 102.6(10) . . ?
C16 S8 C15 100.6(12) . . ?
S7 C14 S71 39(2) . . ?
S71 C13 S7 45(3) . . ?
S6 C12 O6 53.7(14) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        28.35
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         4.493
_refine_diff_density_min         -5.850
_refine_diff_density_rms         0.360

_chemical_properties_physical    Light-sensitive,Photo-sensitive
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_aa_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1976992'
loop_
_audit_author_name
_audit_author_address
'Pengfei Hao'
;School of Chemical and Material Science, Shanxi Normal University
China
;
_audit_update_record             
;
2020-05-23 deposited with the CCDC.	2020-06-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Ag7 I10, C16 H48 Eu O8 S8'
_chemical_formula_sum            'C16 H48 Ag7 Eu I10 O8 S8'
_chemical_formula_weight         2801.07

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'
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'
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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  '-P 2ybc'
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'

_cell_length_a                   12.4723(4)
_cell_length_b                   23.4245(10)
_cell_length_c                   21.0231(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.650(3)
_cell_angle_gamma                90.00
_cell_volume                     6055.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9979
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      29.40

_exptl_crystal_description       radlike
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.073
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5032
_exptl_absorpt_coefficient_mu    8.637
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2770
_exptl_absorpt_correction_T_max  0.5449
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26150
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.91
_diffrn_reflns_theta_max         25.00
_reflns_number_total             10646
_reflns_number_gt                7514
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0573P)²+50.8593P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10646
_refine_ls_number_parameters     467
_refine_ls_number_restraints     31
_refine_ls_R_factor_all          0.0841
_refine_ls_R_factor_gt           0.0550
_refine_ls_wR_factor_ref         0.1423
_refine_ls_wR_factor_gt          0.1309
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 -0.01078(11) 0.65217(7) 0.38679(6) 0.0847(4) Uani 1 1 d . . .
Ag2 Ag -0.14225(11) 0.77199(6) 0.49450(7) 0.0770(4) Uani 1 1 d . . .
Ag3 Ag 0.11648(13) 0.79180(7) 0.46104(7) 0.0957(5) Uani 1 1 d . . .
Ag4 Ag -0.09127(10) 0.84396(6) 0.62230(6) 0.0739(4) Uani 1 1 d . . .
Ag5 Ag 0.16077(12) 0.87565(7) 0.60090(7) 0.0858(4) Uani 1 1 d . . .
Ag6 Ag -0.03786(11) 1.07190(7) 0.52563(7) 0.0857(4) Uani 1 1 d . . .
Ag7 Ag 0.11492(13) 0.87661(8) 0.78366(9) 0.1059(6) Uani 1 1 d . . .
Eu1 Eu 0.45692(4) 0.58935(3) 0.71460(3) 0.03843(16) Uani 1 1 d . . .
I1 I 0.05183(9) 0.53540(5) 0.36177(6) 0.0824(4) Uani 1 1 d . . .
I2 I 0.21035(8) 0.69863(5) 0.41347(5) 0.0674(3) Uani 1 1 d . . .
I3 I -0.18020(8) 0.66010(4) 0.45467(5) 0.0658(3) Uani 1 1 d . . .
I4 I -0.07780(8) 0.84278(5) 0.39593(5) 0.0638(3) Uani 1 1 d . . .
I5 I 0.26278(8) 0.89284(5) 0.48937(5) 0.0671(3) Uani 1 1 d . . .
I6 I 0.06667(7) 0.76340(4) 0.58670(4) 0.0553(2) Uani 1 1 d . . .
I7 I -0.30092(8) 0.82732(6) 0.55146(6) 0.0777(3) Uani 1 1 d . . .
I8 I -0.07112(8) 0.80544(5) 0.75113(4) 0.0681(3) Uani 1 1 d . . .
I9 I -0.02170(8) 0.95974(4) 0.59506(5) 0.0664(3) Uani 1 1 d . . .
I10 I 0.28806(8) 0.88336(6) 0.72123(5) 0.0766(3) Uani 1 1 d . . .
C1 C 0.376(3) 0.3976(11) 0.7946(17) 0.191(14) Uani 1 1 d . . .
H1A H 0.4539 0.3994 0.8056 0.286 Uiso 1 1 calc R . .
H1B H 0.3553 0.3624 0.7725 0.286 Uiso 1 1 calc R . .
H1C H 0.3447 0.3995 0.8332 0.286 Uiso 1 1 calc R . .
C2 C 0.212(2) 0.4702(17) 0.771(2) 0.25(2) Uani 1 1 d . . .
H2A H 0.2276 0.4872 0.8129 0.378 Uiso 1 1 calc R . .
H2B H 0.1709 0.4358 0.7730 0.378 Uiso 1 1 calc R . .
H2C H 0.1703 0.4964 0.7414 0.378 Uiso 1 1 calc R . .
C3 C 0.2061(14) 0.4978(8) 0.5546(9) 0.094(6) Uani 1 1 d . . .
H3A H 0.2680 0.4731 0.5562 0.142 Uiso 1 1 calc R . .
H3B H 0.1649 0.4978 0.5118 0.142 Uiso 1 1 calc R . .
H3C H 0.1613 0.4843 0.5844 0.142 Uiso 1 1 calc R . .
C4 C 0.1218(18) 0.6022(9) 0.5657(11) 0.122(8) Uani 1 1 d . . .
H4A H 0.0796 0.5864 0.5956 0.183 Uiso 1 1 calc R . .
H4B H 0.0848 0.5960 0.5224 0.183 Uiso 1 1 calc R . .
H4C H 0.1312 0.6424 0.5733 0.183 Uiso 1 1 calc R . .
C5 C 0.513(2) 0.4160(12) 0.6133(14) 0.158(10) Uani 1 1 d U . .
H5A H 0.4718 0.4037 0.6454 0.237 Uiso 1 1 calc R . .
H5B H 0.5672 0.3878 0.6087 0.237 Uiso 1 1 calc R . .
H5C H 0.4655 0.4209 0.5728 0.237 Uiso 1 1 calc R . .
C6 C 0.639(2) 0.4932(12) 0.5696(12) 0.142(9) Uani 1 1 d U . .
H6A H 0.6163 0.4635 0.5388 0.213 Uiso 1 1 calc R . .
H6B H 0.7166 0.4923 0.5818 0.213 Uiso 1 1 calc R . .
H6C H 0.6170 0.5296 0.5507 0.213 Uiso 1 1 calc R . .
C7 C 0.4069(13) 0.7635(8) 0.5911(9) 0.089(6) Uani 1 1 d . . .
H7A H 0.3433 0.7504 0.5627 0.133 Uiso 1 1 calc R . .
H7B H 0.4439 0.7913 0.5691 0.133 Uiso 1 1 calc R . .
H7C H 0.3859 0.7806 0.6287 0.133 Uiso 1 1 calc R . .
C8 C 0.5185(15) 0.6816(9) 0.5378(8) 0.096(6) Uani 1 1 d . . .
H8A H 0.5466 0.6434 0.5412 0.144 Uiso 1 1 calc R . .
H8B H 0.5702 0.7064 0.5228 0.144 Uiso 1 1 calc R . .
H8C H 0.4514 0.6823 0.5078 0.144 Uiso 1 1 calc R . .
C9 C 0.8135(16) 0.6538(11) 0.6661(13) 0.137(10) Uani 1 1 d . . .
H9A H 0.8247 0.6244 0.6360 0.206 Uiso 1 1 calc R . .
H9B H 0.8826 0.6667 0.6886 0.206 Uiso 1 1 calc R . .
H9C H 0.7754 0.6851 0.6432 0.206 Uiso 1 1 calc R . .
C10 C 0.8154(13) 0.5650(9) 0.7452(9) 0.099(7) Uani 1 1 d . . .
H10A H 0.7809 0.5425 0.7742 0.149 Uiso 1 1 calc R . .
H10B H 0.8864 0.5763 0.7665 0.149 Uiso 1 1 calc R . .
H10C H 0.8220 0.5428 0.7077 0.149 Uiso 1 1 calc R . .
C11 C 0.637(2) 0.7637(11) 0.7953(14) 0.169(13) Uani 1 1 d . . .
H11A H 0.6692 0.7564 0.7576 0.254 Uiso 1 1 calc R . .
H11B H 0.6913 0.7796 0.8286 0.254 Uiso 1 1 calc R . .
H11C H 0.5783 0.7903 0.7848 0.254 Uiso 1 1 calc R . .
C12 C 0.515(2) 0.7317(13) 0.8748(11) 0.160(12) Uani 1 1 d . . .
H12A H 0.4586 0.7551 0.8511 0.241 Uiso 1 1 calc R . .
H12B H 0.5617 0.7549 0.9053 0.241 Uiso 1 1 calc R . .
H12C H 0.4824 0.7025 0.8974 0.241 Uiso 1 1 calc R . .
C13 C 0.7156(13) 0.5367(9) 0.9115(9) 0.099(6) Uani 1 1 d . . .
H13A H 0.7732 0.5279 0.8881 0.149 Uiso 1 1 calc R . .
H13B H 0.7227 0.5134 0.9496 0.149 Uiso 1 1 calc R . .
H13C H 0.7196 0.5762 0.9237 0.149 Uiso 1 1 calc R . .
C14 C 0.5030(18) 0.5463(13) 0.9143(9) 0.155(12) Uani 1 1 d . . .
H14A H 0.4981 0.5872 0.9129 0.233 Uiso 1 1 calc R . .
H14B H 0.5297 0.5343 0.9577 0.233 Uiso 1 1 calc R . .
H14C H 0.4323 0.5302 0.9002 0.233 Uiso 1 1 calc R . .
C15 C 0.2350(16) 0.7114(9) 0.7419(9) 0.102(2) Uani 1 1 d U . .
H15A H 0.2965 0.7366 0.7494 0.153 Uiso 1 1 calc R . .
H15B H 0.1701 0.7323 0.7455 0.153 Uiso 1 1 calc R . .
H15C H 0.2287 0.6953 0.6995 0.153 Uiso 1 1 calc R . .
C16 C 0.1234(17) 0.6265(17) 0.7785(17) 0.219(18) Uani 1 1 d . . .
H16A H 0.1132 0.6143 0.7343 0.328 Uiso 1 1 calc R . .
H16B H 0.0695 0.6546 0.7837 0.328 Uiso 1 1 calc R . .
H16C H 0.1164 0.5943 0.8057 0.328 Uiso 1 1 calc R . .
O1 O 0.4062(8) 0.5002(5) 0.7572(6) 0.087(4) Uani 1 1 d . . .
O2 O 0.2837(10) 0.5682(6) 0.6498(5) 0.095(4) Uani 1 1 d . . .
O3 O 0.4845(10) 0.5204(5) 0.6324(7) 0.102(4) Uani 1 1 d . . .
O4 O 0.4208(7) 0.6600(4) 0.6336(4) 0.060(2) Uani 1 1 d . . .
O5 O 0.6340(6) 0.6081(5) 0.6855(5) 0.066(3) Uani 1 1 d . . .
O6 O 0.5108(8) 0.6793(4) 0.7666(5) 0.064(3) Uani 1 1 d . . .
O7 O 0.5805(8) 0.5673(4) 0.8100(5) 0.066(3) Uani 1 1 d . . .
O8 O 0.3264(9) 0.6133(6) 0.7774(8) 0.112(5) Uani 1 1 d . . .
S1 S 0.3299(7) 0.4546(3) 0.7447(4) 0.154(3) Uani 1 1 d . . .
S2 S 0.2510(3) 0.56852(18) 0.57609(19) 0.0685(10) Uani 1 1 d . . .
S3 S 0.5786(5) 0.4826(3) 0.6377(3) 0.1062(16) Uani 1 1 d U . .
S4 S 0.4950(3) 0.70497(16) 0.61456(16) 0.0537(8) Uani 1 1 d . . .
S5 S 0.7362(4) 0.6263(3) 0.7219(3) 0.117(2) Uani 1 1 d . . .
S6 S 0.5890(4) 0.7007(2) 0.8223(3) 0.0904(14) Uani 1 1 d . . .
S7 S 0.5921(3) 0.5233(2) 0.8636(2) 0.0747(11) Uani 1 1 d . . .
S8 S 0.2530(4) 0.6562(3) 0.7997(3) 0.0970(14) Uani 1 1 d U . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 I3 2.7472(15) . ?
Ag1 I1 2.9163(19) . ?
Ag1 I2 2.9303(17) . ?
Ag1 Ag7 2.9584(19) 4_575 ?
Ag1 I8 2.9947(17) 4_575 ?
Ag2 I3 2.7680(17) . ?
Ag2 I7 2.7972(17) . ?
Ag2 I4 2.8720(17) . ?
Ag2 I6 2.9823(16) . ?
Ag2 Ag4 3.1452(18) . ?
Ag3 I2 2.7433(18) . ?
Ag3 I4 2.8389(17) . ?
Ag3 I6 2.8911(17) . ?
Ag3 I5 2.987(2) . ?
Ag3 Ag6 3.365(2) 3_576 ?
Ag4 I7 2.8111(17) . ?
Ag4 I8 2.8255(16) . ?
Ag4 I6 2.9146(15) . ?
Ag4 I9 2.9331(17) . ?
Ag4 Ag5 3.3332(19) . ?
Ag5 I10 2.7579(17) . ?
Ag5 I6 2.8745(18) . ?
Ag5 I5 2.8771(17) . ?
Ag5 I9 2.9968(18) . ?
Ag5 Ag6 3.093(2) 3_576 ?
Ag6 I4 2.8278(18) 3_576 ?
Ag6 I9 2.8584(17) 3_576 ?
Ag6 I5 2.8904(17) 3_576 ?
Ag6 I9 2.9960(18) . ?
Ag6 Ag5 3.093(2) 3_576 ?
Ag6 Ag3 3.365(2) 3_576 ?
Ag7 I10 2.7132(16) . ?
Ag7 I1 2.828(2) 4_576 ?
Ag7 I8 2.8458(18) . ?
Ag7 Ag1 2.9584(19) 4_576 ?
Eu1 O8 2.331(10) . ?
Eu1 O4 2.363(9) . ?
Eu1 O7 2.373(10) . ?
Eu1 O1 2.399(11) . ?
Eu1 O2 2.406(10) . ?
Eu1 O6 2.416(10) . ?
Eu1 O5 2.428(8) . ?
Eu1 O3 2.432(12) . ?
Eu1 S3 3.463(6) . ?
Eu1 S4 3.510(4) . ?
I1 Ag7 2.828(2) 4_575 ?
I4 Ag6 2.8278(18) 3_576 ?
I5 Ag6 2.8904(17) 3_576 ?
I8 Ag1 2.9947(17) 4_576 ?
I9 Ag6 2.8584(17) 3_576 ?
C1 S1 1.74(3) . ?
C2 S1 1.69(3) . ?
C3 S2 1.783(16) . ?
C4 S2 1.77(2) . ?
C5 S3 1.80(3) . ?
C6 S3 1.74(2) . ?
C7 S4 1.775(16) . ?
C8 S4 1.775(16) . ?
C9 S5 1.76(2) . ?
C10 S5 1.765(19) . ?
C11 S6 1.72(2) . ?
C12 S6 1.72(2) . ?
C13 S7 1.722(17) . ?
C14 S7 1.75(2) . ?
C15 S8 1.76(2) . ?
C16 S8 1.75(2) . ?
O1 S1 1.425(12) . ?
O2 S2 1.534(11) . ?
O3 S3 1.458(13) . ?
O4 S4 1.501(9) . ?
O5 S5 1.438(10) . ?
O6 S6 1.480(10) . ?
O7 S7 1.515(10) . ?
O8 S8 1.486(11) . ?

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
_geom_angle_publ_flag
I3 Ag1 I1 114.19(6) . . ?
I3 Ag1 I2 131.05(6) . . ?
I1 Ag1 I2 96.37(5) . . ?
I3 Ag1 Ag7 160.79(8) . 4_575 ?
I1 Ag1 Ag7 57.54(5) . 4_575 ?
I2 Ag1 Ag7 68.13(5) . 4_575 ?
I3 Ag1 I8 112.33(6) . 4_575 ?
I1 Ag1 I8 99.87(5) . 4_575 ?
I2 Ag1 I8 97.89(5) . 4_575 ?
Ag7 Ag1 I8 57.11(4) 4_575 4_575 ?
I3 Ag2 I7 118.08(6) . . ?
I3 Ag2 I4 112.51(5) . . ?
I7 Ag2 I4 110.19(6) . . ?
I3 Ag2 I6 102.66(5) . . ?
I7 Ag2 I6 110.90(5) . . ?
I4 Ag2 I6 100.85(5) . . ?
I3 Ag2 Ag4 139.97(6) . . ?
I7 Ag2 Ag4 56.10(4) . . ?
I4 Ag2 Ag4 105.43(5) . . ?
I6 Ag2 Ag4 56.73(4) . . ?
I2 Ag3 I4 122.74(7) . . ?
I2 Ag3 I6 108.68(6) . . ?
I4 Ag3 I6 103.92(5) . . ?
I2 Ag3 I5 114.79(6) . . ?
I4 Ag3 I5 101.90(6) . . ?
I6 Ag3 I5 102.57(6) . . ?
I2 Ag3 Ag6 158.94(7) . 3_576 ?
I4 Ag3 Ag6 53.41(4) . 3_576 ?
I6 Ag3 Ag6 91.83(5) . 3_576 ?
I5 Ag3 Ag6 53.73(4) . 3_576 ?
I7 Ag4 I8 112.89(5) . . ?
I7 Ag4 I6 112.51(5) . . ?
I8 Ag4 I6 94.82(5) . . ?
I7 Ag4 I9 107.70(5) . . ?
I8 Ag4 I9 120.05(6) . . ?
I6 Ag4 I9 108.28(5) . . ?
I7 Ag4 Ag2 55.68(4) . . ?
I8 Ag4 Ag2 128.35(6) . . ?
I6 Ag4 Ag2 58.82(4) . . ?
I9 Ag4 Ag2 110.66(5) . . ?
I7 Ag4 Ag5 140.71(6) . . ?
I8 Ag4 Ag5 105.44(5) . . ?
I6 Ag4 Ag5 54.28(4) . . ?
I9 Ag4 Ag5 56.71(4) . . ?
Ag2 Ag4 Ag5 93.68(5) . . ?
I10 Ag5 I6 108.50(6) . . ?
I10 Ag5 I5 118.24(6) . . ?
I6 Ag5 I5 105.78(5) . . ?
I10 Ag5 I9 108.12(6) . . ?
I6 Ag5 I9 107.63(5) . . ?
I5 Ag5 I9 108.13(5) . . ?
I10 Ag5 Ag6 152.74(7) . 3_576 ?
I6 Ag5 Ag6 98.00(5) . 3_576 ?
I5 Ag5 Ag6 57.78(4) . 3_576 ?
I9 Ag5 Ag6 55.96(4) . 3_576 ?
I10 Ag5 Ag4 107.55(5) . . ?
I6 Ag5 Ag4 55.41(4) . . ?
I5 Ag5 Ag4 134.19(6) . . ?
I9 Ag5 Ag4 54.90(4) . . ?
Ag6 Ag5 Ag4 82.06(5) 3_576 . ?
I4 Ag6 I9 121.19(6) 3_576 3_576 ?
I4 Ag6 I5 104.63(6) 3_576 3_576 ?
I9 Ag6 I5 111.66(5) 3_576 3_576 ?
I4 Ag6 I9 110.46(5) 3_576 . ?
I9 Ag6 I9 101.47(5) 3_576 . ?
I5 Ag6 I9 106.77(6) 3_576 . ?
I4 Ag6 Ag5 110.59(6) 3_576 3_576 ?
I9 Ag6 Ag5 60.31(4) 3_576 3_576 ?
I5 Ag6 Ag5 57.36(4) 3_576 3_576 ?
I9 Ag6 Ag5 138.63(6) . 3_576 ?
I4 Ag6 Ag3 53.72(4) 3_576 3_576 ?
I9 Ag6 Ag3 116.27(6) 3_576 3_576 ?
I5 Ag6 Ag3 56.43(4) 3_576 3_576 ?
I9 Ag6 Ag3 142.01(6) . 3_576 ?
Ag5 Ag6 Ag3 65.51(5) 3_576 3_576 ?
I10 Ag7 I1 124.05(7) . 4_576 ?
I10 Ag7 I8 126.93(7) . . ?
I1 Ag7 I8 105.75(5) 4_576 . ?
I10 Ag7 Ag1 158.49(9) . 4_576 ?
I1 Ag7 Ag1 60.48(5) 4_576 4_576 ?
I8 Ag7 Ag1 62.09(4) . 4_576 ?
O8 Eu1 O4 100.0(4) . . ?
O8 Eu1 O7 89.4(5) . . ?
O4 Eu1 O7 141.3(3) . . ?
O8 Eu1 O1 75.2(5) . . ?
O4 Eu1 O1 148.0(3) . . ?
O7 Eu1 O1 70.7(3) . . ?
O8 Eu1 O2 74.0(5) . . ?
O4 Eu1 O2 72.0(3) . . ?
O7 Eu1 O2 145.9(3) . . ?
O1 Eu1 O2 76.4(4) . . ?
O8 Eu1 O6 72.6(4) . . ?
O4 Eu1 O6 73.8(3) . . ?
O7 Eu1 O6 73.5(3) . . ?
O1 Eu1 O6 131.3(4) . . ?
O2 Eu1 O6 126.3(4) . . ?
O8 Eu1 O5 148.3(4) . . ?
O4 Eu1 O5 76.3(3) . . ?
O7 Eu1 O5 76.3(3) . . ?
O1 Eu1 O5 124.0(4) . . ?
O2 Eu1 O5 131.5(4) . . ?
O6 Eu1 O5 76.2(4) . . ?
O8 Eu1 O3 139.3(5) . . ?
O4 Eu1 O3 89.2(4) . . ?
O7 Eu1 O3 107.8(4) . . ?
O1 Eu1 O3 76.4(4) . . ?
O2 Eu1 O3 71.4(5) . . ?
O6 Eu1 O3 147.0(4) . . ?
O5 Eu1 O3 72.4(4) . . ?
O8 Eu1 S3 147.2(3) . . ?
O4 Eu1 S3 102.4(3) . . ?
O7 Eu1 S3 87.9(3) . . ?
O1 Eu1 S3 73.1(3) . . ?
O2 Eu1 S3 90.5(4) . . ?
O6 Eu1 S3 136.9(3) . . ?
O5 Eu1 S3 61.6(3) . . ?
O3 Eu1 S3 20.5(3) . . ?
O8 Eu1 S4 109.4(4) . . ?
O4 Eu1 S4 19.4(2) . . ?
O7 Eu1 S4 122.7(2) . . ?
O1 Eu1 S4 165.1(3) . . ?
O2 Eu1 S4 91.1(3) . . ?
O6 Eu1 S4 62.8(2) . . ?
O5 Eu1 S4 59.3(2) . . ?
O3 Eu1 S4 92.2(3) . . ?
S3 Eu1 S4 99.39(12) . . ?
Ag7 I1 Ag1 61.98(5) 4_575 . ?
Ag3 I2 Ag1 85.40(5) . . ?
Ag1 I3 Ag2 96.53(5) . . ?
Ag6 I4 Ag3 72.87(5) 3_576 . ?
Ag6 I4 Ag2 99.46(5) 3_576 . ?
Ag3 I4 Ag2 74.26(5) . . ?
Ag5 I5 Ag6 64.86(5) . 3_576 ?
Ag5 I5 Ag3 73.31(5) . . ?
Ag6 I5 Ag3 69.84(5) 3_576 . ?
Ag5 I6 Ag3 74.80(5) . . ?
Ag5 I6 Ag4 70.30(5) . . ?
Ag3 I6 Ag4 110.11(5) . . ?
Ag5 I6 Ag2 107.63(5) . . ?
Ag3 I6 Ag2 71.86(4) . . ?
Ag4 I6 Ag2 64.45(4) . . ?
Ag2 I7 Ag4 68.22(4) . . ?
Ag4 I8 Ag7 88.93(5) . . ?
Ag4 I8 Ag1 140.78(6) . 4_576 ?
Ag7 I8 Ag1 60.80(4) . 4_576 ?
Ag6 I9 Ag4 93.61(5) 3_576 . ?
Ag6 I9 Ag6 78.53(5) 3_576 . ?
Ag4 I9 Ag6 155.25(6) . . ?
Ag6 I9 Ag5 63.73(4) 3_576 . ?
Ag4 I9 Ag5 68.39(4) . . ?
Ag6 I9 Ag5 125.80(5) . . ?
Ag7 I10 Ag5 93.30(6) . . ?
S1 O1 Eu1 142.5(7) . . ?
S2 O2 Eu1 129.2(7) . . ?
S3 O3 Eu1 123.9(8) . . ?
S4 O4 Eu1 129.2(5) . . ?
S5 O5 Eu1 133.0(6) . . ?
S6 O6 Eu1 138.6(6) . . ?
S7 O7 Eu1 138.1(6) . . ?
S8 O8 Eu1 150.1(9) . . ?
O1 S1 C2 111.6(16) . . ?
O1 S1 C1 108.7(13) . . ?
C2 S1 C1 100.9(17) . . ?
O2 S2 C4 102.1(10) . . ?
O2 S2 C3 105.6(8) . . ?
C4 S2 C3 98.2(10) . . ?
O3 S3 C6 107.7(11) . . ?
O3 S3 C5 100.6(11) . . ?
C6 S3 C5 97.3(13) . . ?
O3 S3 Eu1 35.7(6) . . ?
C6 S3 Eu1 124.4(10) . . ?
C5 S3 Eu1 123.1(9) . . ?
O4 S4 C8 103.2(7) . . ?
O4 S4 C7 103.6(7) . . ?
C8 S4 C7 100.0(10) . . ?
O4 S4 Eu1 31.5(4) . . ?
C8 S4 Eu1 111.5(7) . . ?
C7 S4 Eu1 128.5(6) . . ?
O5 S5 C9 106.8(10) . . ?
O5 S5 C10 108.1(9) . . ?
C9 S5 C10 98.0(11) . . ?
O6 S6 C12 107.3(10) . . ?
O6 S6 C11 104.5(11) . . ?
C12 S6 C11 96.0(15) . . ?
O7 S7 C13 106.0(8) . . ?
O7 S7 C14 104.6(10) . . ?
C13 S7 C14 100.6(11) . . ?
O8 S8 C16 104.1(14) . . ?
O8 S8 C15 107.1(9) . . ?
C16 S8 C15 96.4(14) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         3.994
_refine_diff_density_min         -1.677
_refine_diff_density_rms         0.196
_chemical_properties_physical    Light-sensitive,Photo-sensitive
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_aa_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1976993'
loop_
_audit_author_name
_audit_author_address
'Pengfei Hao'
;School of Chemical and Material Science, Shanxi Normal University
China
;
_audit_update_record             
;
2020-05-21 deposited with the CCDC.	2020-06-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(Ag2.50 I4), 2(C16 H46 O8 S8 Tb), Ag2 I5'
_chemical_formula_sum            'C32 H92 Ag7 I13 O16 S16 Tb2'
_chemical_formula_weight         3968.65

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'
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'
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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_space_group_name_Hall  '-C 2yc '
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'

_cell_length_a                   43.485(16)
_cell_length_b                   13.005(5)
_cell_length_c                   18.690(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.214(10)
_cell_angle_gamma                90.00
_cell_volume                     10331(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9604
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      28.08

_exptl_crystal_description       rodlike
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7264
_exptl_absorpt_coefficient_mu    6.895
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.3393
_exptl_absorpt_correction_T_max  0.6085
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            111386
_diffrn_reflns_av_R_equivalents  0.1095
_diffrn_reflns_av_sigmaI/netI    0.0469
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         25.00
_reflns_number_total             8997
_reflns_number_gt                7638
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1738P)²+673.8394P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8997
_refine_ls_number_parameters     407
_refine_ls_number_restraints     40
_refine_ls_R_factor_all          0.1182
_refine_ls_R_factor_gt           0.1035
_refine_ls_wR_factor_ref         0.2900
_refine_ls_wR_factor_gt          0.2720
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.25784(5) 0.61239(16) 0.36978(10) 0.0685(5) Uani 1 1 d . . .
Ag2 Ag 0.25463(5) 0.34566(15) 0.14286(10) 0.0688(5) Uani 1 1 d . . .
Ag3 Ag 0.27066(14) 0.2368(3) 0.0104(2) 0.0824(13) Uani 0.50 1 d P . .
Ag4 Ag 1.01395(6) 0.74610(17) 0.32536(10) 0.0738(6) Uani 1 1 d . . .
I1 I 0.27045(4) 0.45886(13) 0.27416(8) 0.0649(5) Uani 1 1 d . . .
I2 I 0.19168(4) 0.26352(12) 0.10843(10) 0.0618(4) Uani 1 1 d . . .
I3 I 0.26236(5) 0.46709(13) 0.01736(8) 0.0682(5) Uani 1 1 d . . .
I4 I 0.30503(4) 0.19395(12) 0.16247(9) 0.0592(4) Uani 1 1 d . . .
I5 I 1.0000 0.54700(15) 0.2500 0.0582(6) Uani 1 2 d S . .
I6 I 0.95113(3) 0.84651(13) 0.27760(8) 0.0594(4) Uani 1 1 d . . .
I7 I 1.04096(4) 0.75196(12) 0.47175(7) 0.0575(4) Uani 1 1 d . . .
Tb1 Tb 0.113210(17) 0.25870(5) 0.42868(4) 0.0238(2) Uani 1 1 d U . .
C1 C 0.0414(8) 0.066(2) 0.511(2) 0.100(12) Uani 1 1 d . . .
H1A H 0.0505 0.1217 0.5413 0.149 Uiso 1 1 calc R . .
H1B H 0.0474 0.0018 0.5356 0.149 Uiso 1 1 calc R . .
H1C H 0.0189 0.0718 0.5004 0.149 Uiso 1 1 calc R . .
C2 C 0.0174(8) 0.046(3) 0.3669(16) 0.094(10) Uani 1 1 d . . .
H2A H 0.0032 0.1008 0.3724 0.141 Uiso 1 1 calc R . .
H2B H 0.0089 -0.0182 0.3786 0.141 Uiso 1 1 calc R . .
H2C H 0.0201 0.0447 0.3173 0.141 Uiso 1 1 calc R . .
C3 C 0.1238(10) -0.102(2) 0.412(2) 0.113(13) Uani 1 1 d . . .
H3A H 0.1085 -0.0921 0.4412 0.169 Uiso 1 1 calc R . .
H3B H 0.1391 -0.1517 0.4344 0.169 Uiso 1 1 calc R . .
H3C H 0.1136 -0.1259 0.3640 0.169 Uiso 1 1 calc R . .
C4 C 0.1580(10) -0.018(4) 0.3230(18) 0.130(17) Uani 1 1 d . . .
H4A H 0.1408 -0.0389 0.2845 0.195 Uiso 1 1 calc R . .
H4B H 0.1725 -0.0746 0.3352 0.195 Uiso 1 1 calc R . .
H4C H 0.1686 0.0392 0.3071 0.195 Uiso 1 1 calc R . .
C5 C 0.0833(18) 0.164(6) 0.195(4) 0.223(15) Uani 1 1 d U . .
H5A H 0.1051 0.1589 0.2021 0.268 Uiso 1 1 calc R . .
H5B H 0.0706 0.1279 0.1566 0.268 Uiso 1 1 calc R . .
C7 C 0.2121(8) 0.236(3) 0.335(2) 0.116(15) Uani 1 1 d . . .
H7A H 0.2191 0.2254 0.2904 0.174 Uiso 1 1 calc R . .
H7B H 0.2146 0.1728 0.3630 0.174 Uiso 1 1 calc R . .
H7C H 0.2245 0.2888 0.3634 0.174 Uiso 1 1 calc R . .
C8 C 0.1757(10) 0.406(3) 0.308(2) 0.125(13) Uani 1 1 d U . .
H8A H 0.1891 0.4190 0.2740 0.188 Uiso 1 1 calc R . .
H8B H 0.1851 0.4332 0.3548 0.188 Uiso 1 1 calc R . .
H8C H 0.1556 0.4379 0.2901 0.188 Uiso 1 1 calc R . .
C9 C 0.0997(7) 0.602(3) 0.3262(19) 0.105(13) Uani 1 1 d . . .
H9A H 0.1202 0.5958 0.3151 0.157 Uiso 1 1 calc R . .
H9B H 0.0957 0.6721 0.3365 0.157 Uiso 1 1 calc R . .
H9C H 0.0841 0.5785 0.2850 0.157 Uiso 1 1 calc R . .
C10 C 0.1225(11) 0.602(3) 0.472(3) 0.16(2) Uani 1 1 d . . .
H10A H 0.1411 0.6224 0.4558 0.241 Uiso 1 1 calc R . .
H10B H 0.1281 0.5623 0.5158 0.241 Uiso 1 1 calc R . .
H10C H 0.1112 0.6625 0.4812 0.241 Uiso 1 1 calc R . .
C11 C 0.2121(10) 0.264(3) 0.544(3) 0.15(2) Uani 1 1 d . . .
H11A H 0.2088 0.2202 0.5824 0.222 Uiso 1 1 calc R . .
H11B H 0.2332 0.2913 0.5554 0.222 Uiso 1 1 calc R . .
H11C H 0.2092 0.2262 0.4988 0.222 Uiso 1 1 calc R . .
C12 C 0.1935(12) 0.422(4) 0.621(2) 0.16(3) Uani 1 1 d . . .
H12A H 0.2152 0.4426 0.6324 0.244 Uiso 1 1 calc R . .
H12B H 0.1903 0.3702 0.6560 0.244 Uiso 1 1 calc R . .
H12C H 0.1804 0.4800 0.6247 0.244 Uiso 1 1 calc R . .
C13 C 0.0523(8) 0.428(3) 0.5917(18) 0.087(8) Uani 1 1 d U . .
H13A H 0.0334 0.4183 0.6095 0.131 Uiso 1 1 calc R . .
H13B H 0.0528 0.4967 0.5730 0.131 Uiso 1 1 calc R . .
H13C H 0.0702 0.4177 0.6310 0.131 Uiso 1 1 calc R . .
C14 C 0.0262(7) 0.404(2) 0.451(2) 0.096(11) Uani 1 1 d . . .
H14A H 0.0254 0.3701 0.4047 0.144 Uiso 1 1 calc R . .
H14B H 0.0328 0.4739 0.4476 0.144 Uiso 1 1 calc R . .
H14C H 0.0057 0.4028 0.4622 0.144 Uiso 1 1 calc R . .
C15 C 0.1358(9) 0.184(3) 0.6618(17) 0.102(11) Uani 1 1 d . . .
H15A H 0.1533 0.1825 0.7029 0.154 Uiso 1 1 calc R . .
H15B H 0.1179 0.1522 0.6747 0.154 Uiso 1 1 calc R . .
H15C H 0.1309 0.2545 0.6480 0.154 Uiso 1 1 calc R . .
C16 C 0.1415(8) -0.009(3) 0.619(2) 0.097(7) Uani 1 1 d U . .
H16A H 0.1248 -0.0125 0.6450 0.146 Uiso 1 1 calc R . .
H16B H 0.1608 -0.0310 0.6502 0.146 Uiso 1 1 calc R . .
H16C H 0.1367 -0.0540 0.5769 0.146 Uiso 1 1 calc R . .
O1 O 0.0630(3) 0.1818(10) 0.4170(9) 0.052(4) Uani 1 1 d . . .
O2 O 0.1166(4) 0.0939(11) 0.3745(9) 0.059(4) Uani 1 1 d . . .
O3 O 0.0916(6) 0.2831(19) 0.3048(9) 0.102(8) Uani 1 1 d U . .
O4 O 0.1614(3) 0.2599(12) 0.3866(10) 0.058(4) Uani 1 1 d . . .
O5 O 0.1175(4) 0.4334(11) 0.3974(9) 0.066(5) Uani 1 1 d . . .
O6 O 0.1533(3) 0.3165(12) 0.5281(7) 0.051(3) Uani 1 1 d . . .
O7 O 0.0852(3) 0.3545(11) 0.5020(7) 0.048(3) Uani 1 1 d . . .
O8 O 0.1194(4) 0.1385(13) 0.5267(8) 0.069(5) Uani 1 1 d . . .
S1 S 0.05483(12) 0.0681(4) 0.4277(3) 0.0475(12) Uani 1 1 d . . .
S2 S 0.14313(17) 0.0177(5) 0.4029(4) 0.0714(18) Uani 1 1 d . . .
S3 S 0.0682(5) 0.2307(11) 0.2462(8) 0.190(8) Uani 1 1 d U . .
S4 S 0.1705(2) 0.2734(6) 0.3148(5) 0.082(2) Uani 1 1 d . . .
S5 S 0.09799(14) 0.5267(4) 0.4017(4) 0.0596(15) Uani 1 1 d . . .
S6 S 0.18401(16) 0.3707(6) 0.5329(4) 0.074(2) Uani 1 1 d . . .
S7 S 0.05345(13) 0.3388(4) 0.5209(3) 0.0496(12) Uani 1 1 d . . .
S8 S 0.14558(16) 0.1193(5) 0.5891(4) 0.0670(15) Uani 1 1 d U . .
C6 C 0.0505(10) 0.317(4) 0.194(2) 0.126(9) Uani 1 1 d U . .
H6A H 0.0557 0.3858 0.2041 0.152 Uiso 1 1 calc R . .
H6B H 0.0348 0.2994 0.1543 0.152 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 I1 2.810(2) . ?
Ag1 I4 2.875(3) 4 ?
Ag1 I2 2.910(3) 4 ?
Ag1 I3 2.913(3) 6_566 ?
Ag1 Ag2 3.082(3) 4 ?
Ag1 Ag3 3.215(5) 4 ?
Ag1 Ag3 3.233(5) 6_566 ?
Ag2 I1 2.819(2) . ?
Ag2 I2 2.881(3) . ?
Ag2 I3 2.906(3) . ?
Ag2 I4 2.914(3) . ?
Ag2 Ag3 3.039(5) 7 ?
Ag2 Ag3 3.057(5) . ?
Ag2 Ag1 3.082(3) 4_545 ?
Ag3 Ag3 1.790(12) 7 ?
Ag3 I4 2.970(5) . ?
Ag3 I3 3.008(5) 7 ?
Ag3 I3 3.023(5) . ?
Ag3 I2 3.026(5) 7 ?
Ag3 Ag2 3.039(5) 7 ?
Ag3 Ag1 3.215(5) 4_545 ?
Ag3 Ag1 3.233(5) 6_565 ?
Ag4 I7 2.741(2) . ?
Ag4 Ag4 2.821(4) 2_755 ?
Ag4 I5 2.949(3) . ?
Ag4 I6 2.989(3) . ?
Ag4 I6 2.992(3) 2_755 ?
I2 Ag1 2.910(3) 4_545 ?
I2 Ag3 3.026(5) 7 ?
I3 Ag1 2.913(3) 6_565 ?
I3 Ag3 3.008(5) 7 ?
I4 Ag1 2.875(3) 4_545 ?
I5 Ag4 2.949(3) 2_755 ?
I6 Ag4 2.992(3) 2_755 ?
Tb1 O3 2.329(16) . ?
Tb1 O5 2.364(14) . ?
Tb1 O1 2.369(14) . ?
Tb1 O7 2.370(11) . ?
Tb1 O8 2.380(12) . ?
Tb1 O6 2.384(13) . ?
Tb1 O2 2.388(13) . ?
Tb1 O4 2.389(13) . ?
C1 S1 1.77(3) . ?
C2 S1 1.80(3) . ?
C3 S2 1.79(3) . ?
C4 S2 1.81(3) . ?
C5 S3 1.54(8) . ?
C7 S4 1.84(3) . ?
C8 S4 1.74(4) . ?
C9 S5 1.73(3) . ?
C10 S5 1.79(4) . ?
C11 S6 1.83(3) . ?
C12 S6 1.75(3) . ?
C13 S7 1.77(3) . ?
C14 S7 1.79(3) . ?
C15 S8 1.73(3) . ?
C16 S8 1.78(4) . ?
O1 S1 1.544(14) . ?
O2 S2 1.529(17) . ?
O3 S3 1.49(2) . ?
O4 S4 1.488(17) . ?
O5 S5 1.492(16) . ?
O6 S6 1.498(15) . ?
O7 S7 1.510(13) . ?
O8 S8 1.469(16) . ?
S3 C6 1.57(5) . ?

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
_geom_angle_publ_flag
I1 Ag1 I4 115.70(9) . 4 ?
I1 Ag1 I2 109.03(8) . 4 ?
I4 Ag1 I2 115.84(9) 4 4 ?
I1 Ag1 I3 111.53(9) . 6_566 ?
I4 Ag1 I3 101.54(8) 4 6_566 ?
I2 Ag1 I3 102.08(8) 4 6_566 ?
I1 Ag1 Ag2 134.87(9) . 4 ?
I4 Ag1 Ag2 58.45(7) 4 4 ?
I2 Ag1 Ag2 57.40(7) 4 4 ?
I3 Ag1 Ag2 113.41(7) 6_566 4 ?
I1 Ag1 Ag3 162.97(13) . 4 ?
I4 Ag1 Ag3 58.05(11) 4 4 ?
I2 Ag1 Ag3 87.32(12) 4 4 ?
I3 Ag1 Ag3 58.53(9) 6_566 4 ?
Ag2 Ag1 Ag3 58.04(9) 4 4 ?
I1 Ag1 Ag3 157.69(13) . 6_566 ?
I4 Ag1 Ag3 86.52(11) 4 6_566 ?
I2 Ag1 Ag3 58.74(11) 4 6_566 ?
I3 Ag1 Ag3 58.66(9) 6_566 6_566 ?
Ag2 Ag1 Ag3 57.47(9) 4 6_566 ?
Ag3 Ag1 Ag3 32.2(2) 4 6_566 ?
I1 Ag2 I2 115.68(8) . . ?
I1 Ag2 I3 111.73(9) . . ?
I2 Ag2 I3 106.74(9) . . ?
I1 Ag2 I4 101.86(8) . . ?
I2 Ag2 I4 115.52(8) . . ?
I3 Ag2 I4 104.90(8) . . ?
I1 Ag2 Ag3 167.93(14) . 7 ?
I2 Ag2 Ag3 61.41(11) . 7 ?
I3 Ag2 Ag3 60.74(10) . 7 ?
I4 Ag2 Ag3 89.56(12) . 7 ?
I1 Ag2 Ag3 153.00(14) . . ?
I2 Ag2 Ag3 90.92(12) . . ?
I3 Ag2 Ag3 60.87(10) . . ?
I4 Ag2 Ag3 59.60(11) . . ?
Ag3 Ag2 Ag3 34.1(2) 7 . ?
I1 Ag2 Ag1 125.96(9) . 4_545 ?
I2 Ag2 Ag1 58.31(6) . 4_545 ?
I3 Ag2 Ag1 121.45(8) . 4_545 ?
I4 Ag2 Ag1 57.22(7) . 4_545 ?
Ag3 Ag2 Ag1 63.76(10) 7 4_545 ?
Ag3 Ag2 Ag1 63.17(9) . 4_545 ?
Ag3 Ag3 I4 121.6(3) 7 . ?
Ag3 Ag3 I3 73.2(3) 7 7 ?
I4 Ag3 I3 97.19(13) . 7 ?
Ag3 Ag3 I3 72.3(3) 7 . ?
I4 Ag3 I3 100.67(13) . . ?
I3 Ag3 I3 145.5(2) 7 . ?
Ag3 Ag3 I2 121.0(3) 7 7 ?
I4 Ag3 I2 117.5(2) . 7 ?
I3 Ag3 I2 100.65(13) 7 7 ?
I3 Ag3 I2 96.93(12) . 7 ?
Ag3 Ag3 Ag2 73.5(3) 7 7 ?
I4 Ag3 Ag2 147.61(18) . 7 ?
I3 Ag3 Ag2 57.44(9) 7 7 ?
I3 Ag3 Ag2 111.55(15) . 7 ?
I2 Ag3 Ag2 56.73(9) 7 7 ?
Ag3 Ag3 Ag2 72.4(3) 7 . ?
I4 Ag3 Ag2 57.80(9) . . ?
I3 Ag3 Ag2 111.46(15) 7 . ?
I3 Ag3 Ag2 57.09(9) . . ?
I2 Ag3 Ag2 147.82(17) 7 . ?
Ag2 Ag3 Ag2 145.9(2) 7 . ?
Ag3 Ag3 Ag1 74.4(3) 7 4_545 ?
I4 Ag3 Ag1 55.22(9) . 4_545 ?
I3 Ag3 Ag1 55.71(9) 7 4_545 ?
I3 Ag3 Ag1 113.67(15) . 4_545 ?
I2 Ag3 Ag1 149.18(17) 7 4_545 ?
Ag2 Ag3 Ag1 111.29(15) 7 4_545 ?
Ag2 Ag3 Ag1 58.79(9) . 4_545 ?
Ag3 Ag3 Ag1 73.4(3) 7 6_565 ?
I4 Ag3 Ag1 148.99(17) . 6_565 ?
I3 Ag3 Ag1 113.61(15) 7 6_565 ?
I3 Ag3 Ag1 55.38(9) . 6_565 ?
I2 Ag3 Ag1 55.30(8) 7 6_565 ?
Ag2 Ag3 Ag1 58.77(9) 7 6_565 ?
Ag2 Ag3 Ag1 110.34(16) . 6_565 ?
Ag1 Ag3 Ag1 147.8(2) 4_545 6_565 ?
I7 Ag4 Ag4 178.40(6) . 2_755 ?
I7 Ag4 I5 120.18(8) . . ?
Ag4 Ag4 I5 61.42(4) 2_755 . ?
I7 Ag4 I6 117.23(9) . . ?
Ag4 Ag4 I6 61.91(8) 2_755 . ?
I5 Ag4 I6 99.11(7) . . ?
I7 Ag4 I6 117.47(9) . 2_755 ?
Ag4 Ag4 I6 61.80(8) 2_755 2_755 ?
I5 Ag4 I6 99.05(7) . 2_755 ?
I6 Ag4 I6 99.99(8) . 2_755 ?
Ag1 I1 Ag2 151.66(10) . . ?
Ag2 I2 Ag1 64.30(7) . 4_545 ?
Ag2 I2 Ag3 61.85(11) . 7 ?
Ag1 I2 Ag3 65.96(11) 4_545 7 ?
Ag2 I3 Ag1 125.12(8) . 6_565 ?
Ag2 I3 Ag3 61.82(9) . 7 ?
Ag1 I3 Ag3 65.76(9) 6_565 7 ?
Ag2 I3 Ag3 62.05(9) . . ?
Ag1 I3 Ag3 65.96(9) 6_565 . ?
Ag3 I3 Ag3 34.5(2) 7 . ?
Ag1 I4 Ag2 64.33(7) 4_545 . ?
Ag1 I4 Ag3 66.73(11) 4_545 . ?
Ag2 I4 Ag3 62.60(11) . . ?
Ag4 I5 Ag4 57.16(9) . 2_755 ?
Ag4 I6 Ag4 56.29(7) . 2_755 ?
O3 Tb1 O5 70.1(7) . . ?
O3 Tb1 O1 78.3(7) . . ?
O5 Tb1 O1 120.2(6) . . ?
O3 Tb1 O7 110.8(8) . . ?
O5 Tb1 O7 73.4(5) . . ?
O1 Tb1 O7 72.5(5) . . ?
O3 Tb1 O8 144.2(7) . . ?
O5 Tb1 O8 145.1(6) . . ?
O1 Tb1 O8 75.3(6) . . ?
O7 Tb1 O8 83.6(6) . . ?
O3 Tb1 O6 143.7(6) . . ?
O5 Tb1 O6 78.9(6) . . ?
O1 Tb1 O6 135.4(5) . . ?
O7 Tb1 O6 76.4(5) . . ?
O8 Tb1 O6 70.2(5) . . ?
O3 Tb1 O2 75.5(8) . . ?
O5 Tb1 O2 138.0(5) . . ?
O1 Tb1 O2 73.8(5) . . ?
O7 Tb1 O2 143.3(5) . . ?
O8 Tb1 O2 74.3(6) . . ?
O6 Tb1 O2 120.8(6) . . ?
O3 Tb1 O4 82.5(8) . . ?
O5 Tb1 O4 78.0(5) . . ?
O1 Tb1 O4 145.9(5) . . ?
O7 Tb1 O4 141.3(5) . . ?
O8 Tb1 O4 107.0(6) . . ?
O6 Tb1 O4 73.0(6) . . ?
O2 Tb1 O4 74.3(6) . . ?
S1 O1 Tb1 128.7(8) . . ?
S2 O2 Tb1 123.0(9) . . ?
S3 O3 Tb1 137.4(14) . . ?
S4 O4 Tb1 135.8(11) . . ?
S5 O5 Tb1 133.8(9) . . ?
S6 O6 Tb1 133.7(8) . . ?
S7 O7 Tb1 132.2(8) . . ?
S8 O8 Tb1 131.7(10) . . ?
O1 S1 C1 105.1(11) . . ?
O1 S1 C2 105.7(13) . . ?
C1 S1 C2 97.3(16) . . ?
O2 S2 C3 105.1(15) . . ?
O2 S2 C4 104.9(13) . . ?
C3 S2 C4 96(2) . . ?
O3 S3 C5 114(4) . . ?
O3 S3 C6 107(2) . . ?
C5 S3 C6 104(3) . . ?
O4 S4 C8 104.5(17) . . ?
O4 S4 C7 102.6(13) . . ?
C8 S4 C7 98.2(19) . . ?
O5 S5 C9 106.9(16) . . ?
O5 S5 C10 103.2(16) . . ?
C9 S5 C10 100(2) . . ?
O6 S6 C12 105.3(14) . . ?
O6 S6 C11 102.6(16) . . ?
C12 S6 C11 99(3) . . ?
O7 S7 C13 104.9(12) . . ?
O7 S7 C14 105.2(11) . . ?
C13 S7 C14 96.8(16) . . ?
O8 S8 C15 105.3(16) . . ?
O8 S8 C16 107.1(14) . . ?
C15 S8 C16 99.1(17) . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         3.311
_refine_diff_density_min         -3.731
_refine_diff_density_rms         0.453
_chemical_properties_physical    Light-sensitive,Photo-sensitive
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_aa_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 1976999'
loop_
_audit_author_name
_audit_author_address
'Pengfei Hao'
;School of Chemical and Material Science, Shanxi Normal University
China
;
_audit_update_record             
;
2020-05-21 deposited with the CCDC.	2020-06-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Ag6 I9, C16 H48 O8 S8 Tb '
_chemical_formula_sum            'C16 H48 Ag6 I9 O8 S8 Tb'
_chemical_formula_weight         2573.26

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'
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'
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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_space_group_name_Hall  '-C 2yc'
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'

_cell_length_a                   31.7458(16)
_cell_length_b                   19.7768(11)
_cell_length_c                   22.4989(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 125.6640(10)
_cell_angle_gamma                90.00
_cell_volume                     11476.2(10)
_cell_formula_units_Z            8
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9742
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      27.76

_exptl_crystal_description       rodlike
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.979
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             9280
_exptl_absorpt_coefficient_mu    8.383
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.285
_exptl_absorpt_correction_T_max  0.633
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            84529
_diffrn_reflns_av_R_equivalents  0.0636
_diffrn_reflns_av_sigmaI/netI    0.0469
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.20
_diffrn_reflns_theta_max         28.38
_reflns_number_total             14307
_reflns_number_gt                10993
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0662P)²+268.7215P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         14307
_refine_ls_number_parameters     449
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0840
_refine_ls_R_factor_gt           0.0611
_refine_ls_wR_factor_ref         0.1543
_refine_ls_wR_factor_gt          0.1442
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.68175(4) 0.12615(5) 0.44397(6) 0.0546(2) Uani 1 1 d . . .
Ag2 Ag 0.81694(5) 0.13505(6) 0.56690(6) 0.0646(3) Uani 1 1 d . . .
Ag3 Ag 0.80210(4) -0.01746(6) 0.62075(6) 0.0607(3) Uani 1 1 d . . .
Ag4 Ag 0.81832(4) 0.00280(6) 0.48995(6) 0.0568(3) Uani 1 1 d . . .
Ag5 Ag 0.69834(4) -0.00707(6) 0.37107(5) 0.0569(3) Uani 1 1 d . . .
Ag6 Ag 0.78748(5) 0.01741(8) 0.30261(8) 0.0836(4) Uani 1 1 d . . .
I1 I 0.62580(3) 0.24656(4) 0.38090(4) 0.04541(19) Uani 1 1 d . . .
I2 I 0.60878(3) 0.01809(4) 0.36721(4) 0.03876(16) Uani 1 1 d . . .
I3 I 0.74432(3) 0.10277(4) 0.59789(4) 0.04089(17) Uani 1 1 d . . .
I4 I 0.89872(3) 0.02663(4) 0.64294(4) 0.04207(17) Uani 1 1 d . . .
I5 I 0.75376(3) -0.09934(4) 0.49012(4) 0.04264(17) Uani 1 1 d . . .
I6 I 0.75790(3) 0.12264(4) 0.40804(4) 0.03877(16) Uani 1 1 d . . .
I7 I 0.86999(3) -0.03824(5) 0.43153(5) 0.0577(2) Uani 1 1 d . . .
I8 I 0.69238(3) -0.04251(5) 0.24573(4) 0.0536(2) Uani 1 1 d . . .
I9 I 0.81556(4) 0.10101(5) 0.23259(5) 0.0634(3) Uani 1 1 d . . .
Tb1 Tb 0.044899(15) 0.26418(2) 0.51691(2) 0.01934(10) Uani 1 1 d . . .
C1 C 0.0168(5) 0.1529(9) 0.6784(8) 0.067(4) Uani 1 1 d . . .
H1A H 0.0016 0.1113 0.6525 0.101 Uiso 1 1 calc R . .
H1B H -0.0098 0.1866 0.6605 0.101 Uiso 1 1 calc R . .
H1C H 0.0331 0.1458 0.7297 0.101 Uiso 1 1 calc R . .
C2 C 0.1070(6) 0.1127(9) 0.7048(8) 0.070(4) Uani 1 1 d . . .
H2A H 0.0893 0.0710 0.6822 0.106 Uiso 1 1 calc R . .
H2B H 0.1222 0.1108 0.7562 0.106 Uiso 1 1 calc R . .
H2C H 0.1338 0.1193 0.6977 0.106 Uiso 1 1 calc R . .
C3 C 0.0141(6) 0.3667(9) 0.6873(8) 0.070(4) Uani 1 1 d . . .
H3A H -0.0214 0.3533 0.6536 0.105 Uiso 1 1 calc R . .
H3B H 0.0159 0.4073 0.7121 0.105 Uiso 1 1 calc R . .
H3C H 0.0331 0.3314 0.7224 0.105 Uiso 1 1 calc R . .
C4 C 0.1076(4) 0.3728(7) 0.7123(6) 0.049(3) Uani 1 1 d . . .
H4A H 0.1138 0.3274 0.7306 0.074 Uiso 1 1 calc R . .
H4B H 0.1159 0.4038 0.7506 0.074 Uiso 1 1 calc R . .
H4C H 0.1289 0.3824 0.6959 0.074 Uiso 1 1 calc R . .
C5 C 0.2186(8) 0.2456(14) 0.7465(10) 0.137(12) Uani 1 1 d . . .
H5A H 0.1998 0.2569 0.7666 0.206 Uiso 1 1 calc R . .
H5B H 0.2506 0.2703 0.7721 0.206 Uiso 1 1 calc R . .
H5C H 0.2257 0.1980 0.7519 0.206 Uiso 1 1 calc R . .
C6 C 0.2134(6) 0.2170(12) 0.6296(11) 0.103(7) Uani 1 1 d . . .
H6A H 0.2260 0.1767 0.6589 0.154 Uiso 1 1 calc R . .
H6B H 0.2420 0.2416 0.6366 0.154 Uiso 1 1 calc R . .
H6C H 0.1897 0.2050 0.5790 0.154 Uiso 1 1 calc R . .
C7 C 0.0812(6) 0.5022(7) 0.5220(8) 0.063(4) Uani 1 1 d . . .
H7A H 0.0449 0.5038 0.5012 0.094 Uiso 1 1 calc R . .
H7B H 0.0891 0.5352 0.4985 0.094 Uiso 1 1 calc R . .
H7C H 0.1008 0.5120 0.5734 0.094 Uiso 1 1 calc R . .
C8 C 0.1668(5) 0.4302(7) 0.5655(7) 0.054(3) Uani 1 1 d . . .
H8A H 0.1775 0.4490 0.6117 0.081 Uiso 1 1 calc R . .
H8B H 0.1764 0.4604 0.5419 0.081 Uiso 1 1 calc R . .
H8C H 0.1833 0.3873 0.5733 0.081 Uiso 1 1 calc R . .
C9 C 0.1324(10) 0.3042(15) 0.4010(15) 0.140(9) Uani 1 1 d U . .
H9A H 0.1190 0.3493 0.3865 0.209 Uiso 1 1 calc R . .
H9B H 0.1385 0.2861 0.3671 0.209 Uiso 1 1 calc R . .
H9C H 0.1643 0.3051 0.4491 0.209 Uiso 1 1 calc R . .
C10 C 0.1120(8) 0.1724(11) 0.4048(12) 0.108(7) Uani 1 1 d U . .
H10A H 0.1149 0.1683 0.3649 0.161 Uiso 1 1 calc R . .
H10B H 0.0896 0.1375 0.4012 0.161 Uiso 1 1 calc R . .
H10C H 0.1456 0.1679 0.4503 0.161 Uiso 1 1 calc R . .
C11 C -0.0458(8) 0.4247(10) 0.3158(11) 0.112(8) Uani 1 1 d . . .
H11A H -0.0271 0.4625 0.3474 0.168 Uiso 1 1 calc R . .
H11B H -0.0794 0.4395 0.2752 0.168 Uiso 1 1 calc R . .
H11C H -0.0270 0.4065 0.2981 0.168 Uiso 1 1 calc R . .
C12 C -0.0948(6) 0.3051(10) 0.2945(9) 0.086(5) Uani 1 1 d . . .
H12A H -0.0758 0.2652 0.2992 0.130 Uiso 1 1 calc R . .
H12B H -0.1090 0.3257 0.2478 0.130 Uiso 1 1 calc R . .
H12C H -0.1223 0.2930 0.2984 0.130 Uiso 1 1 calc R . .
C13 C -0.0268(8) 0.1054(13) 0.3139(10) 0.125(10) Uani 1 1 d . . .
H13A H -0.0251 0.1424 0.2877 0.187 Uiso 1 1 calc R . .
H13B H -0.0569 0.0785 0.2808 0.187 Uiso 1 1 calc R . .
H13C H 0.0038 0.0780 0.3351 0.187 Uiso 1 1 calc R . .
C14 C -0.0215(8) 0.0594(9) 0.4265(12) 0.111(8) Uani 1 1 d . . .
H14A H 0.0036 0.0332 0.4257 0.167 Uiso 1 1 calc R . .
H14B H -0.0538 0.0353 0.4013 0.167 Uiso 1 1 calc R . .
H14C H -0.0093 0.0671 0.4762 0.167 Uiso 1 1 calc R . .
C15 C -0.1354(8) 0.2854(14) 0.4312(14) 0.135(11) Uani 1 1 d . . .
H15A H -0.1292 0.3293 0.4197 0.202 Uiso 1 1 calc R . .
H15B H -0.1537 0.2901 0.4531 0.202 Uiso 1 1 calc R . .
H15C H -0.1559 0.2592 0.3872 0.202 Uiso 1 1 calc R . .
C16 C -0.0998(7) 0.1612(9) 0.4724(12) 0.095(6) Uani 1 1 d . . .
H16A H -0.1123 0.1506 0.4230 0.143 Uiso 1 1 calc R . .
H16B H -0.1278 0.1575 0.4775 0.143 Uiso 1 1 calc R . .
H16C H -0.0728 0.1301 0.5053 0.143 Uiso 1 1 calc R . .
O1 O 0.0362(3) 0.1763(4) 0.5828(4) 0.0424(18) Uani 1 1 d . . .
O2 O 0.0271(3) 0.3190(4) 0.5913(4) 0.046(2) Uani 1 1 d . . .
O3 O 0.1292(3) 0.2402(4) 0.6221(4) 0.0416(18) Uani 1 1 d . . .
O4 O 0.0865(3) 0.3723(4) 0.5517(5) 0.050(2) Uani 1 1 d . . .
O5 O 0.0988(3) 0.2653(4) 0.4758(4) 0.0413(18) Uani 1 1 d . . .
O6 O -0.0007(3) 0.3282(5) 0.4090(5) 0.058(2) Uani 1 1 d . . .
O7 O 0.0192(3) 0.1743(4) 0.4333(4) 0.0385(16) Uani 1 1 d . . .
O8 O -0.0462(3) 0.2520(4) 0.4591(4) 0.0371(17) Uani 1 1 d . . .
S1 S 0.06282(13) 0.18006(17) 0.66504(17) 0.0493(7) Uani 1 1 d . . .
S2 S 0.04165(11) 0.38197(14) 0.63855(15) 0.0401(6) Uani 1 1 d . . .
S3 S 0.18207(12) 0.26671(19) 0.6555(2) 0.0583(9) Uani 1 1 d . . .
S4 S 0.09795(11) 0.41910(14) 0.50895(15) 0.0393(6) Uani 1 1 d . . .
S5 S 0.08592(14) 0.25184(17) 0.40131(17) 0.0495(7) Uani 1 1 d U . .
S6 S -0.05283(13) 0.36254(18) 0.36448(18) 0.0563(8) Uani 1 1 d . . .
S7 S -0.03068(12) 0.13687(16) 0.38313(17) 0.0482(7) Uani 1 1 d . . .
S8 S -0.07541(11) 0.24401(16) 0.49334(17) 0.0429(7) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 I1 2.8106(13) . ?
Ag1 I3 2.8515(12) . ?
Ag1 I2 2.8724(13) . ?
Ag1 I6 2.9633(12) . ?
Ag2 I1 2.7708(13) 7_656 ?
Ag2 I3 2.8430(13) . ?
Ag2 I6 2.9217(13) . ?
Ag2 I4 3.0143(15) . ?
Ag3 I9 2.8267(15) 6_556 ?
Ag3 I3 2.8605(13) . ?
Ag3 I5 2.8907(14) . ?
Ag3 I4 2.9381(14) . ?
Ag4 I7 2.7550(13) . ?
Ag4 I5 2.8792(13) . ?
Ag4 I4 2.8880(13) . ?
Ag4 I6 2.9276(13) . ?
Ag5 I8 2.8032(13) . ?
Ag5 I2 2.8373(12) . ?
Ag5 I5 2.8467(13) . ?
Ag5 I6 3.0023(14) . ?
Ag6 I7 2.7615(17) . ?
Ag6 I9 2.7655(18) . ?
Ag6 I8 2.7661(15) . ?
I1 Ag2 2.7708(13) 7_656 ?
I9 Ag3 2.8267(15) 6 ?
Tb1 O2 2.324(7) . ?
Tb1 O6 2.344(7) . ?
Tb1 O7 2.362(7) . ?
Tb1 O3 2.366(7) . ?
Tb1 O5 2.373(7) . ?
Tb1 O4 2.392(8) . ?
Tb1 O8 2.394(7) . ?
Tb1 O1 2.401(7) . ?
C1 S1 1.741(12) . ?
C2 S1 1.756(14) . ?
C3 S2 1.782(13) . ?
C4 S2 1.766(11) . ?
C5 S3 1.72(2) . ?
C6 S3 1.722(16) . ?
C7 S4 1.804(13) . ?
C8 S4 1.788(12) . ?
C9 S5 1.81(2) . ?
C10 S5 1.76(2) . ?
C11 S6 1.746(17) . ?
C12 S6 1.760(18) . ?
C13 S7 1.748(15) . ?
C14 S7 1.747(17) . ?
C15 S8 1.775(16) . ?
C16 S8 1.755(16) . ?
O1 S1 1.524(8) . ?
O2 S2 1.523(8) . ?
O3 S3 1.480(8) . ?
O4 S4 1.524(8) . ?
O5 S5 1.500(8) . ?
O6 S6 1.506(9) . ?
O7 S7 1.498(7) . ?
O8 S8 1.519(7) . ?

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
_geom_angle_publ_flag
I1 Ag1 I3 122.57(4) . . ?
I1 Ag1 I2 106.02(4) . . ?
I3 Ag1 I2 110.86(4) . . ?
I1 Ag1 I6 104.95(4) . . ?
I3 Ag1 I6 103.07(4) . . ?
I2 Ag1 I6 108.58(4) . . ?
I1 Ag2 I3 120.74(5) 7_656 . ?
I1 Ag2 I6 112.58(4) 7_656 . ?
I3 Ag2 I6 104.34(4) . . ?
I1 Ag2 I4 103.03(4) 7_656 . ?
I3 Ag2 I4 104.73(4) . . ?
I6 Ag2 I4 111.13(4) . . ?
I9 Ag3 I3 113.22(4) 6_556 . ?
I9 Ag3 I5 107.02(5) 6_556 . ?
I3 Ag3 I5 112.22(4) . . ?
I9 Ag3 I4 114.91(4) 6_556 . ?
I3 Ag3 I4 106.28(4) . . ?
I5 Ag3 I4 102.81(4) . . ?
I7 Ag4 I5 114.59(5) . . ?
I7 Ag4 I4 104.98(4) . . ?
I5 Ag4 I4 104.36(4) . . ?
I7 Ag4 I6 106.98(4) . . ?
I5 Ag4 I6 111.29(4) . . ?
I4 Ag4 I6 114.68(4) . . ?
I8 Ag5 I2 122.30(4) . . ?
I8 Ag5 I5 115.37(5) . . ?
I2 Ag5 I5 101.53(4) . . ?
I8 Ag5 I6 98.89(4) . . ?
I2 Ag5 I6 108.45(4) . . ?
I5 Ag5 I6 110.07(4) . . ?
I7 Ag6 I9 114.41(5) . . ?
I7 Ag6 I8 115.23(6) . . ?
I9 Ag6 I8 128.31(6) . . ?
Ag2 I1 Ag1 115.89(5) 7_656 . ?
Ag5 I2 Ag1 70.71(4) . . ?
Ag2 I3 Ag1 75.88(4) . . ?
Ag2 I3 Ag3 72.79(4) . . ?
Ag1 I3 Ag3 105.83(4) . . ?
Ag4 I4 Ag3 68.86(3) . . ?
Ag4 I4 Ag2 64.49(3) . . ?
Ag3 I4 Ag2 69.28(3) . . ?
Ag5 I5 Ag4 66.36(3) . . ?
Ag5 I5 Ag3 105.55(4) . . ?
Ag4 I5 Ag3 69.64(4) . . ?
Ag2 I6 Ag4 65.19(4) . . ?
Ag2 I6 Ag1 73.01(4) . . ?
Ag4 I6 Ag1 100.75(4) . . ?
Ag2 I6 Ag5 105.18(4) . . ?
Ag4 I6 Ag5 63.79(3) . . ?
Ag1 I6 Ag5 67.26(3) . . ?
Ag4 I7 Ag6 85.39(5) . . ?
Ag6 I8 Ag5 90.69(5) . . ?
Ag6 I9 Ag3 103.06(5) . 6 ?
O2 Tb1 O6 103.4(3) . . ?
O2 Tb1 O7 144.0(3) . . ?
O6 Tb1 O7 82.1(3) . . ?
O2 Tb1 O3 88.9(3) . . ?
O6 Tb1 O3 143.1(3) . . ?
O7 Tb1 O3 108.1(3) . . ?
O2 Tb1 O5 144.0(3) . . ?
O6 Tb1 O5 75.0(3) . . ?
O7 Tb1 O5 71.9(3) . . ?
O3 Tb1 O5 74.9(3) . . ?
O2 Tb1 O4 70.5(3) . . ?
O6 Tb1 O4 75.3(3) . . ?
O7 Tb1 O4 143.3(3) . . ?
O3 Tb1 O4 76.5(3) . . ?
O5 Tb1 O4 74.5(3) . . ?
O2 Tb1 O8 73.4(3) . . ?
O6 Tb1 O8 70.8(3) . . ?
O7 Tb1 O8 75.2(2) . . ?
O3 Tb1 O8 145.7(3) . . ?
O5 Tb1 O8 135.0(3) . . ?
O4 Tb1 O8 122.0(3) . . ?
O2 Tb1 O1 74.3(3) . . ?
O6 Tb1 O1 143.7(3) . . ?
O7 Tb1 O1 80.6(3) . . ?
O3 Tb1 O1 73.0(3) . . ?
O5 Tb1 O1 128.0(3) . . ?
O4 Tb1 O1 133.2(3) . . ?
O8 Tb1 O1 74.0(3) . . ?
S1 O1 Tb1 122.2(4) . . ?
S2 O2 Tb1 141.5(4) . . ?
S3 O3 Tb1 136.3(5) . . ?
S4 O4 Tb1 128.7(5) . . ?
S5 O5 Tb1 130.1(4) . . ?
S6 O6 Tb1 135.1(5) . . ?
S7 O7 Tb1 134.0(4) . . ?
S8 O8 Tb1 129.5(4) . . ?
O1 S1 C1 105.6(6) . . ?
O1 S1 C2 107.1(6) . . ?
C1 S1 C2 100.4(7) . . ?
O2 S2 C4 106.4(6) . . ?
O2 S2 C3 103.5(6) . . ?
C4 S2 C3 98.2(7) . . ?
O3 S3 C5 107.2(9) . . ?
O3 S3 C6 109.6(7) . . ?
C5 S3 C6 98.3(11) . . ?
O4 S4 C8 105.5(5) . . ?
O4 S4 C7 104.4(6) . . ?
C8 S4 C7 97.2(7) . . ?
O5 S5 C10 107.1(8) . . ?
O5 S5 C9 102.2(9) . . ?
C10 S5 C9 98.6(12) . . ?
O6 S6 C11 104.0(8) . . ?
O6 S6 C12 105.5(7) . . ?
C11 S6 C12 101.5(10) . . ?
O7 S7 C14 104.7(7) . . ?
O7 S7 C13 104.7(7) . . ?
C14 S7 C13 96.3(13) . . ?
O8 S8 C16 105.4(6) . . ?
O8 S8 C15 104.2(7) . . ?
C16 S8 C15 96.6(12) . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        28.38
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         3.585
_refine_diff_density_min         -3.526
_refine_diff_density_rms         0.391
_chemical_properties_physical    Light-sensitive,Photo-sensitive
_exptl_crystal_preparation       Luminescent
