# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1580604'
_audit_update_record             
;
2017-10-18 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C64 H196 Ag22 I34 La4 O34 S32'
_chemical_formula_sum            'C64 H196 Ag22 I34 La4 O34 S32'
_chemical_formula_weight         9779.51

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'
La La -0.2871 2.4523 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.485(3)
_cell_length_b                   16.959(3)
_cell_length_c                   29.331(6)
_cell_angle_alpha                96.95(3)
_cell_angle_beta                 101.33(3)
_cell_angle_gamma                111.95(3)
_cell_volume                     5959(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    253(2)
_cell_measurement_reflns_used    21111
_cell_measurement_theta_min      3.0247
_cell_measurement_theta_max      25.35

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4428
_exptl_absorpt_coefficient_mu    7.184
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1236
_exptl_absorpt_correction_T_max  0.1877
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      253(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  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 14.63
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            47653
_diffrn_reflns_av_R_equivalents  0.0605
_diffrn_reflns_av_sigmaI/netI    0.0889
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         25.35
_reflns_number_total             21661
_reflns_number_gt                16923
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0784P)²+89.5995P] 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         21661
_refine_ls_number_parameters     953
_refine_ls_number_restraints     75
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.1062
_refine_ls_wR_factor_gt          0.0808
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_restrained_S_all      1.143
_refine_ls_shift/su_max          0.002
_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 0.8207(3) 1.29390(17) 0.36011(13) 0.0925(11) Uani 1 1 d . . .
Ag2 Ag 0.8694(2) 1.14188(16) 0.35041(9) 0.0939(7) Uani 1 1 d . . .
Ag3 Ag 0.9904(2) 1.1174(2) 0.26668(10) 0.0907(10) Uani 1 1 d . . .
Ag4 Ag 1.05644(19) 1.07939(17) 0.37078(9) 0.0944(7) Uani 1 1 d . . .
Ag5 Ag 0.9395(2) 0.86039(17) 0.31969(9) 0.0866(8) Uani 1 1 d . . .
Ag6 Ag 0.84522(19) 0.73718(15) 0.21327(9) 0.0917(7) Uani 1 1 d . . .
Ag7 Ag 0.8851(2) 0.90098(17) 0.16676(11) 0.0851(9) Uani 1 1 d . . .
Ag8 Ag 1.06523(19) 0.79558(14) 0.15918(8) 0.0868(6) Uani 1 1 d . . .
Ag9 Ag 1.1195(2) 0.64397(14) 0.12397(9) 0.0915(8) Uani 1 1 d . . .
Ag10 Ag 0.90162(19) 0.66109(14) 0.06546(8) 0.0888(6) Uani 1 1 d . . .
Ag11 Ag 1.1150(2) 0.49780(15) 0.04040(9) 0.0907(7) Uani 1 1 d . . .
I1 I 0.94200(16) 1.27609(12) 0.29403(7) 0.0924(5) Uani 1 1 d . . .
I2 I 0.65191(14) 1.13222(12) 0.35359(7) 0.0849(5) Uani 1 1 d . . .
I3 I 0.8355(2) 1.44595(16) 0.40420(12) 0.1442(11) Uani 1 1 d . . .
I4 I 0.82901(12) 0.97651(10) 0.29598(6) 0.0872(4) Uani 1 1 d . . .
I5 I 1.02109(15) 1.19336(13) 0.44018(7) 0.0876(6) Uani 1 1 d . . .
I6 I 1.20775(14) 1.16630(13) 0.32119(7) 0.0872(6) Uani 1 1 d . . .
I7 I 0.93130(17) 1.07530(12) 0.16680(6) 0.0830(5) Uani 1 1 d . . .
I8 I 1.0874(2) 0.94473(18) 0.40870(8) 0.08622(9) Uani 1 1 d . . .
I9 I 1.05910(12) 0.89261(10) 0.24492(5) 0.0759(4) Uani 1 1 d . . .
I10 I 0.8075(2) 0.68241(15) 0.29802(9) 0.0943(8) Uani 1 1 d . . .
I11 I 0.67665(14) 0.77416(12) 0.16259(7) 0.0798(5) Uani 1 1 d . . .
I12 I 0.90668(14) 0.61595(10) 0.15766(6) 0.0768(4) Uani 1 1 d . . .
I13 I 0.95342(15) 0.84233(11) 0.08041(6) 0.0757(4) Uani 1 1 d . . .
I14 I 1.28249(15) 0.80841(12) 0.17051(8) 0.0893(6) Uani 1 1 d . . .
I15 I 1.08289(13) 0.65216(10) 0.02158(6) 0.0638(4) Uani 1 1 d . . .
I16 I 1.15151(16) 0.49633(12) 0.13796(7) 0.0820(5) Uani 1 1 d . . .
I17 I 0.72330(13) 0.53024(11) -0.00290(7) 0.0767(5) Uani 1 1 d . . .
La1 La 0.48415(9) 0.20999(7) 0.11525(4) 0.0807(3) Uani 1 1 d . . .
La2 La 0.40868(9) 0.70894(8) 0.40626(4) 0.0872(3) Uani 1 1 d . . .
O1 O 0.578(3) 0.2878(19) 0.1955(7) 0.103(3) Uani 1 1 d D . .
O2 O 0.365(2) 0.0780(10) 0.0559(8) 0.101(10) Uani 1 1 d D . .
O3 O 0.394(2) 0.1381(19) 0.1679(11) 0.095(16) Uani 1 1 d D . .
O4 O 0.5496(19) 0.0993(16) 0.1299(11) 0.103(13) Uani 1 1 d D . .
O5 O 0.3028(13) 0.2146(14) 0.0944(8) 0.098(10) Uani 1 1 d D . .
O6 O 0.499(2) 0.2312(14) 0.0374(5) 0.115(10) Uani 1 1 d D . .
O7 O 0.513(2) 0.3556(10) 0.1220(10) 0.107(11) Uani 1 1 d D . .
O8 O 0.6827(13) 0.2623(12) 0.1225(8) 0.100(4) Uani 1 1 d D . .
O9 O 0.4760(16) 0.7121(15) 0.3346(6) 0.100(7) Uani 1 1 d D . .
O10 O 0.2514(16) 0.7135(18) 0.4322(7) 0.113(9) Uani 1 1 d D . .
O11 O 0.5473(19) 0.6484(16) 0.4202(8) 0.112(5) Uani 1 1 d D . .
O12 O 0.2473(12) 0.6395(14) 0.3380(6) 0.100(6) Uani 1 1 d D . .
O13 O 0.321(2) 0.5629(13) 0.4169(10) 0.112(15) Uani 1 1 d D . .
O14 O 0.4550(14) 0.7355(15) 0.4949(6) 0.089(8) Uani 1 1 d D . .
O15 O 0.3834(19) 0.8283(12) 0.3807(8) 0.101(9) Uani 1 1 d D . .
O16 O 0.5919(13) 0.8325(14) 0.4357(7) 0.112(9) Uani 1 1 d D . .
O17 O 0.254(3) 0.3059(16) 0.2006(10) 0.080(10) Uani 0.50 1 d PD . .
O18 O 0.274(3) 0.4527(17) 0.2820(8) 0.110(2) Uani 0.50 1 d PD . .
S1A S 0.6523(16) 0.3196(10) 0.2439(6) 0.104(6) Uani 0.50 1 d PD . .
S1B S 0.601(2) 0.3596(15) 0.2358(8) 0.112(11) Uani 0.50 1 d PD . .
S2A S 0.3469(15) -0.0052(10) 0.0273(7) 0.121(9) Uani 0.70 1 d PD . .
S2B S 0.263(2) -0.0012(16) 0.0322(12) 0.116(16) Uani 0.30 1 d PD . .
S3A S 0.321(3) 0.0543(14) 0.1773(8) 0.087(14) Uani 0.30 1 d PD . .
S3B S 0.3248(10) 0.1277(8) 0.2024(4) 0.101(4) Uani 0.70 1 d PD . .
S4A S 0.554(3) 0.0387(17) 0.1623(11) 0.118(13) Uani 0.30 1 d PD . .
S4B S 0.6392(8) 0.0731(7) 0.1501(5) 0.088(4) Uani 0.70 1 d PD . .
S5A S 0.1919(15) 0.1992(13) 0.0931(8) 0.086(7) Uani 0.30 1 d PD . .
S5B S 0.2093(7) 0.2008(7) 0.0562(4) 0.077(3) Uani 0.70 1 d PD . .
S6A S 0.5303(17) 0.3004(10) 0.0104(6) 0.066(6) Uani 0.30 1 d PD . .
S6B S 0.4590(10) 0.2247(7) -0.0146(4) 0.098(4) Uani 0.70 1 d PD . .
S7A S 0.5611(11) 0.4511(6) 0.1382(4) 0.080(3) Uani 0.60 1 d PD . .
S7B S 0.4748(13) 0.4216(11) 0.1105(6) 0.077(5) Uani 0.40 1 d PD . .
S8A S 0.7898(14) 0.3452(13) 0.1392(9) 0.120(4) Uani 0.40 1 d PD . .
S8B S 0.7720(11) 0.2764(9) 0.0954(6) 0.120(4) Uani 0.60 1 d PD . .
S9 S 0.4349(7) 0.7289(7) 0.2867(3) 0.101(3) Uani 1 1 d D . .
S10 S 0.1981(9) 0.7430(11) 0.4627(5) 0.110(7) Uani 1 1 d D . .
S11A S 0.6261(16) 0.6378(14) 0.3935(7) 0.105(5) Uani 0.50 1 d PD . .
S11B S 0.6064(17) 0.5904(14) 0.4214(7) 0.105(5) Uani 0.50 1 d PD . .
S12A S 0.164(2) 0.611(2) 0.2912(10) 0.107(13) Uani 0.30 1 d PD . .
S12B S 0.1310(9) 0.6301(11) 0.3223(5) 0.089(5) Uani 0.70 1 d PD . .
S13A S 0.2714(16) 0.4889(11) 0.4402(7) 0.115(7) Uani 0.50 1 d PD . .
S13B S 0.2179(13) 0.4811(9) 0.4002(7) 0.104(7) Uani 0.50 1 d PD . .
S14A S 0.5365(12) 0.7782(12) 0.5432(5) 0.102(5) Uani 0.50 1 d PD . .
S14B S 0.5239(15) 0.7074(13) 0.5307(5) 0.098(6) Uani 0.50 1 d PD . .
S15A S 0.4300(11) 0.9193(9) 0.3781(6) 0.091(5) Uani 0.50 1 d PD . .
S15B S 0.3250(10) 0.8855(9) 0.3787(7) 0.086(6) Uani 0.50 1 d PD . .
S16A S 0.7032(18) 0.899(2) 0.4570(11) 0.103(3) Uani 0.20 1 d PD . .
S16B S 0.6795(10) 0.8931(10) 0.4169(5) 0.124(6) Uani 0.80 1 d PD . .
C1 C 0.572(4) 0.314(3) 0.2841(12) 0.115(5) Uani 1 1 d D . .
C2 C 0.744(2) 0.4254(17) 0.2465(14) 0.116(19) Uani 1 1 d D . .
C3 C 0.279(4) -0.0862(18) 0.0562(17) 0.105(3) Uani 1 1 d D . .
C4 C 0.260(5) -0.016(4) -0.0283(9) 0.121(9) Uani 1 1 d D . .
C5 C 0.366(3) 0.064(2) 0.2393(9) 0.101(13) Uani 1 1 d D . .
C6 C 0.189(2) 0.053(3) 0.1731(17) 0.107(3) Uani 1 1 d D . .
C7 C 0.667(4) 0.096(4) 0.2121(8) 0.103(4) Uani 1 1 d D . .
C8 C 0.587(3) -0.0400(14) 0.1312(18) 0.109(2) Uani 1 1 d D . .
C9 C 0.100(2) 0.1022(15) 0.0540(12) 0.114(16) Uani 1 1 d D . .
C10 C 0.154(2) 0.2763(17) 0.0696(12) 0.100(14) Uani 1 1 d D . .
C11 C 0.410(3) 0.307(2) -0.0219(11) 0.101(13) Uani 1 1 d D . .
C12 C 0.570(2) 0.2665(17) -0.0406(9) 0.095(9) Uani 1 1 d D . .
C13 C 0.469(3) 0.490(2) 0.1590(11) 0.093(2) Uani 1 1 d D . .
C14 C 0.569(3) 0.515(2) 0.0955(12) 0.093(16) Uani 1 1 d D . .
C15 C 0.814(3) 0.3850(14) 0.0888(10) 0.095(12) Uani 1 1 d D . .
C16 C 0.876(3) 0.288(3) 0.1462(13) 0.111(3) Uani 1 1 d D . .
C17 C 0.549(2) 0.815(2) 0.2825(12) 0.122(4) Uani 1 1 d D . .
H17A H 0.5717 0.8619 0.3095 0.190 Uiso 1 1 calc R . .
H17B H 0.5305 0.8345 0.2538 0.190 Uiso 1 1 calc R . .
H17C H 0.6083 0.7972 0.2817 0.190 Uiso 1 1 calc R . .
C18 C 0.454(4) 0.653(2) 0.2472(12) 0.106(2) Uani 1 1 d D . .
H18A H 0.5114 0.6380 0.2634 0.140 Uiso 1 1 calc R . .
H18B H 0.4751 0.6778 0.2210 0.140 Uiso 1 1 calc R . .
H18C H 0.3863 0.6016 0.2354 0.140 Uiso 1 1 calc R . .
C19 C 0.0596(19) 0.710(4) 0.4318(14) 0.116(2) Uani 1 1 d D . .
H19A H 0.0509 0.7556 0.4175 0.154 Uiso 1 1 calc R . .
H19B H 0.0137 0.6963 0.4534 0.154 Uiso 1 1 calc R . .
H19C H 0.0380 0.6589 0.4073 0.154 Uiso 1 1 calc R . .
C20 C 0.178(4) 0.688(3) 0.5070(12) 0.116(2) Uani 1 1 d D . .
H20A H 0.2419 0.6773 0.5192 0.154 Uiso 1 1 calc R . .
H20B H 0.1144 0.6331 0.4947 0.154 Uiso 1 1 calc R . .
H20C H 0.1647 0.7215 0.5321 0.154 Uiso 1 1 calc R . .
C21 C 0.7498(18) 0.643(2) 0.4303(15) 0.112(3) Uani 1 1 d D . .
C22 C 0.584(3) 0.5336(17) 0.3624(10) 0.110(16) Uani 1 1 d D . .
C23 C 0.034(3) 0.5299(19) 0.287(2) 0.109(6) Uani 1 1 d D . .
C24 C 0.130(4) 0.699(2) 0.2822(17) 0.109(6) Uani 1 1 d D . .
C25 C 0.134(3) 0.468(3) 0.4405(17) 0.120(4) Uani 1 1 d D . .
C26 C 0.253(3) 0.3920(18) 0.4028(16) 0.109(3) Uani 1 1 d D . .
C27 C 0.484(3) 0.715(3) 0.5836(9) 0.102(17) Uani 1 1 d D . .
C28 C 0.6643(17) 0.774(3) 0.5417(15) 0.108(2) Uani 1 1 d D . .
C29 C 0.344(2) 0.941(3) 0.3320(13) 0.103(2) Uani 1 1 d D . .
C30 C 0.410(3) 0.972(2) 0.4286(12) 0.099(2) Uani 1 1 d D . .
C31 C 0.718(5) 1.0013(18) 0.447(2) 0.111(3) Uani 1 1 d D . .
C32 C 0.804(3) 0.880(4) 0.433(2) 0.111(3) Uani 1 1 d 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 I3 2.659(4) . ?
Ag1 I2 2.788(3) . ?
Ag1 I1 2.828(3) . ?
Ag2 I5 2.805(3) . ?
Ag2 I4 2.853(3) . ?
Ag2 I2 2.897(3) . ?
Ag2 I1 2.959(3) . ?
Ag3 I6 2.802(3) . ?
Ag3 I7 2.807(3) . ?
Ag3 I4 2.920(3) . ?
Ag3 I1 3.052(4) . ?
Ag4 I8 2.788(4) . ?
Ag4 I6 2.809(3) . ?
Ag4 I5 2.868(3) . ?
Ag4 I4 3.113(3) . ?
Ag5 I10 2.785(4) . ?
Ag5 I8 2.786(4) . ?
Ag5 I4 2.949(3) . ?
Ag5 I9 2.955(3) . ?
Ag6 I11 2.781(3) . ?
Ag6 I10 2.829(3) . ?
Ag6 I12 2.927(3) . ?
Ag6 I9 2.967(3) . ?
Ag7 I7 2.784(3) . ?
Ag7 I11 2.797(3) . ?
Ag7 I9 3.000(3) . ?
Ag7 I13 3.041(4) . ?
Ag8 I14 2.804(3) . ?
Ag8 I13 2.865(3) . ?
Ag8 I9 2.867(3) . ?
Ag8 I12 2.986(3) . ?
Ag9 I16 2.759(3) . ?
Ag9 I14 2.791(3) . ?
Ag9 I15 2.975(3) . ?
Ag9 I12 3.106(3) . ?
Ag10 I17 2.787(3) . ?
Ag10 I13 2.842(3) . ?
Ag10 I12 2.893(3) . ?
Ag10 I15 3.020(3) . ?
Ag11 I17 2.789(3) 2_765 ?
Ag11 I16 2.811(3) . ?
Ag11 I15 2.907(3) . ?
Ag11 I15 2.966(3) 2_765 ?
I15 Ag11 2.966(3) 2_765 ?
I17 Ag11 2.789(3) 2_765 ?
La1 O7 2.328(16) . ?
La1 O3 2.332(17) . ?
La1 O1 2.390(17) . ?
La1 O6 2.391(15) . ?
La1 O4 2.402(17) . ?
La1 O2 2.427(16) . ?
La1 O5 2.435(14) . ?
La1 O8 2.440(15) . ?
La2 O15 2.358(14) . ?
La2 O13 2.403(17) . ?
La2 O10 2.413(15) . ?
La2 O12 2.436(15) . ?
La2 O11 2.439(16) . ?
La2 O9 2.446(18) . ?
La2 O16 2.469(14) . ?
La2 O14 2.495(16) . ?
O1 S1A 1.471(17) . ?
O1 S1B 1.482(19) . ?
O2 S2A 1.458(16) . ?
O2 S2B 1.485(18) . ?
O3 S3B 1.488(16) . ?
O3 S3A 1.493(18) . ?
O4 S4B 1.481(15) . ?
O4 S4A 1.492(18) . ?
O5 S5A 1.409(16) . ?
O5 S5B 1.437(15) . ?
O6 S6A 1.470(17) . ?
O6 S6B 1.490(14) . ?
O7 S7B 1.445(17) . ?
O7 S7A 1.476(16) . ?
O8 S8A 1.529(17) . ?
O8 S8B 1.531(16) . ?
O9 S9 1.507(14) . ?
O10 S10 1.409(15) . ?
O11 S11B 1.480(16) . ?
O11 S11A 1.487(17) . ?
O12 S12A 1.485(18) . ?
O12 S12B 1.486(14) . ?
O13 S13B 1.492(17) . ?
O13 S13A 1.498(17) . ?
O14 S14B 1.503(16) . ?
O14 S14A 1.510(16) . ?
O15 S15A 1.451(16) . ?
O15 S15B 1.460(16) . ?
O16 S16A 1.452(19) . ?
O16 S16B 1.498(15) . ?
S1A S1B 1.15(3) . ?
S1A C1 1.733(19) . ?
S1A C2 1.740(18) . ?
S1B C1 1.739(19) . ?
S1B C2 1.764(19) . ?
S2A S2B 1.20(4) . ?
S2A C3 1.756(18) . ?
S2A C4 1.76(2) . ?
S2B C3 1.747(19) . ?
S2B C4 1.75(2) . ?
S3A S3B 1.34(3) . ?
S3A C6 1.74(2) . ?
S3A C5 1.767(18) . ?
S3B C6 1.755(19) . ?
S3B C5 1.780(18) . ?
S4A S4B 1.22(3) . ?
S4A C7 1.75(2) . ?
S4A C8 1.766(19) . ?
S4B C7 1.748(19) . ?
S4B C8 1.751(18) . ?
S5A S5B 1.15(2) . ?
S5A C9 1.735(18) . ?
S5A C10 1.736(17) . ?
S5B C10 1.743(16) . ?
S5B C9 1.750(16) . ?
S6A S6B 1.30(2) . ?
S6A C11 1.764(18) . ?
S6A C12 1.784(17) . ?
S6B C12 1.759(17) . ?
S6B C11 1.773(17) . ?
S7A S7B 1.166(18) . ?
S7A C14 1.748(17) . ?
S7A C13 1.772(18) . ?
S7B C13 1.753(18) . ?
S7B C14 1.790(17) . ?
S8A S8B 1.54(3) . ?
S8A C15 1.735(18) . ?
S8A C16 1.761(19) . ?
S8B C15 1.761(17) . ?
S8B C16 1.764(19) . ?
S9 C17 1.719(19) . ?
S9 C18 1.754(18) . ?
S10 C20 1.698(18) . ?
S10 C19 1.747(18) . ?
S11A S11B 1.21(3) . ?
S11A C22 1.712(18) . ?
S11A C21 1.765(18) . ?
S11B C21 1.749(19) . ?
S11B C22 1.785(19) . ?
S12A S12B 1.15(3) . ?
S12A C23 1.75(2) . ?
S12A C24 1.757(19) . ?
S12B C23 1.750(19) . ?
S12B C24 1.76(2) . ?
S13A S13B 1.21(2) . ?
S13A C25 1.747(19) . ?
S13A C26 1.767(19) . ?
S13B C26 1.751(19) . ?
S13B C25 1.763(19) . ?
S14A S14B 1.15(2) . ?
S14A C28 1.758(19) . ?
S14A C27 1.766(18) . ?
S14B C28 1.744(19) . ?
S14B C27 1.744(18) . ?
S15A S15B 1.320(19) . ?
S15A C30 1.752(18) . ?
S15A C29 1.764(17) . ?
S15B C29 1.759(18) . ?
S15B C30 1.778(19) . ?
S16A S16B 1.14(3) . ?
S16A C31 1.736(19) . ?
S16A C32 1.76(2) . ?
S16B C32 1.750(19) . ?
S16B C31 1.77(2) . ?
C17 H17A 0.9602 . ?
C17 H17B 0.9602 . ?
C17 H17C 0.9602 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?

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 I2 125.43(13) . . ?
I3 Ag1 I1 123.98(13) . . ?
I2 Ag1 I1 108.96(11) . . ?
I5 Ag2 I4 115.61(10) . . ?
I5 Ag2 I2 113.89(11) . . ?
I4 Ag2 I2 104.78(10) . . ?
I5 Ag2 I1 109.85(10) . . ?
I4 Ag2 I1 109.21(10) . . ?
I2 Ag2 I1 102.61(9) . . ?
I6 Ag3 I7 122.39(12) . . ?
I6 Ag3 I4 112.49(11) . . ?
I7 Ag3 I4 106.02(11) . . ?
I6 Ag3 I1 103.53(11) . . ?
I7 Ag3 I1 105.91(11) . . ?
I4 Ag3 I1 105.01(10) . . ?
I8 Ag4 I6 116.93(11) . . ?
I8 Ag4 I5 110.64(11) . . ?
I6 Ag4 I5 113.96(11) . . ?
I8 Ag4 I4 100.65(11) . . ?
I6 Ag4 I4 106.82(9) . . ?
I5 Ag4 I4 106.31(9) . . ?
I10 Ag5 I8 121.90(12) . . ?
I10 Ag5 I4 117.20(12) . . ?
I8 Ag5 I4 104.87(11) . . ?
I10 Ag5 I9 105.99(11) . . ?
I8 Ag5 I9 109.56(12) . . ?
I4 Ag5 I9 93.54(9) . . ?
I11 Ag6 I10 113.89(11) . . ?
I11 Ag6 I12 114.86(10) . . ?
I10 Ag6 I12 109.78(10) . . ?
I11 Ag6 I9 111.76(9) . . ?
I10 Ag6 I9 104.56(10) . . ?
I12 Ag6 I9 100.74(9) . . ?
I7 Ag7 I11 124.81(12) . . ?
I7 Ag7 I9 108.25(11) . . ?
I11 Ag7 I9 110.34(11) . . ?
I7 Ag7 I13 103.24(11) . . ?
I11 Ag7 I13 107.06(11) . . ?
I9 Ag7 I13 100.07(9) . . ?
I14 Ag8 I13 122.37(11) . . ?
I14 Ag8 I9 107.50(9) . . ?
I13 Ag8 I9 107.74(9) . . ?
I14 Ag8 I12 112.04(9) . . ?
I13 Ag8 I12 103.54(9) . . ?
I9 Ag8 I12 101.70(9) . . ?
I16 Ag9 I14 120.30(11) . . ?
I16 Ag9 I15 110.70(10) . . ?
I14 Ag9 I15 103.78(10) . . ?
I16 Ag9 I12 102.00(10) . . ?
I14 Ag9 I12 108.94(10) . . ?
I15 Ag9 I12 111.19(9) . . ?
I17 Ag10 I13 126.33(10) . . ?
I17 Ag10 I12 109.37(9) . . ?
I13 Ag10 I12 106.54(9) . . ?
I17 Ag10 I15 97.49(9) . . ?
I13 Ag10 I15 101.01(9) . . ?
I12 Ag10 I15 116.11(9) . . ?
I17 Ag11 I16 111.82(10) 2_765 . ?
I17 Ag11 I15 114.28(10) 2_765 . ?
I16 Ag11 I15 111.19(9) . . ?
I17 Ag11 I15 98.71(9) 2_765 2_765 ?
I16 Ag11 I15 114.50(10) . 2_765 ?
I15 Ag11 I15 105.71(9) . 2_765 ?
Ag1 I1 Ag2 59.75(9) . . ?
Ag1 I1 Ag3 125.42(10) . . ?
Ag2 I1 Ag3 65.92(8) . . ?
Ag1 I2 Ag2 60.95(9) . . ?
Ag2 I4 Ag3 69.01(9) . . ?
Ag2 I4 Ag5 127.80(10) . . ?
Ag3 I4 Ag5 105.08(10) . . ?
Ag2 I4 Ag4 61.65(8) . . ?
Ag3 I4 Ag4 64.41(8) . . ?
Ag5 I4 Ag4 69.21(8) . . ?
Ag2 I5 Ag4 65.40(8) . . ?
Ag3 I6 Ag4 70.03(9) . . ?
Ag7 I7 Ag3 91.14(11) . . ?
Ag5 I8 Ag4 76.37(10) . . ?
Ag8 I9 Ag5 137.91(9) . . ?
Ag8 I9 Ag6 74.01(9) . . ?
Ag5 I9 Ag6 66.71(9) . . ?
Ag8 I9 Ag7 74.11(9) . . ?
Ag5 I9 Ag7 100.51(9) . . ?
Ag6 I9 Ag7 63.85(8) . . ?
Ag5 I10 Ag6 70.89(9) . . ?
Ag6 I11 Ag7 68.90(9) . . ?
Ag10 I12 Ag6 106.38(9) . . ?
Ag10 I12 Ag8 64.93(8) . . ?
Ag6 I12 Ag8 72.87(8) . . ?
Ag10 I12 Ag9 65.06(8) . . ?
Ag6 I12 Ag9 131.30(8) . . ?
Ag8 I12 Ag9 59.95(7) . . ?
Ag10 I13 Ag8 67.16(8) . . ?
Ag10 I13 Ag7 110.74(9) . . ?
Ag8 I13 Ag7 73.52(8) . . ?
Ag9 I14 Ag8 65.96(8) . . ?
Ag11 I15 Ag11 74.29(9) . 2_765 ?
Ag11 I15 Ag9 66.91(8) . . ?
Ag11 I15 Ag9 113.01(9) 2_765 . ?
Ag11 I15 Ag10 107.30(8) . . ?
Ag11 I15 Ag10 78.03(8) 2_765 . ?
Ag9 I15 Ag10 65.22(8) . . ?
Ag9 I16 Ag11 71.20(9) . . ?
Ag10 I17 Ag11 85.04(9) . 2_765 ?
O7 La1 O3 116.0(10) . . ?
O7 La1 O1 70.1(11) . . ?
O3 La1 O1 69.6(12) . . ?
O7 La1 O6 78.4(9) . . ?
O3 La1 O6 153.1(10) . . ?
O1 La1 O6 137.0(10) . . ?
O7 La1 O4 151.1(9) . . ?
O3 La1 O4 72.7(10) . . ?
O1 La1 O4 89.5(12) . . ?
O6 La1 O4 106.3(10) . . ?
O7 La1 O2 133.9(9) . . ?
O3 La1 O2 85.2(10) . . ?
O1 La1 O2 152.5(10) . . ?
O6 La1 O2 69.4(8) . . ?
O4 La1 O2 71.9(9) . . ?
O7 La1 O5 72.7(8) . . ?
O3 La1 O5 76.2(9) . . ?
O1 La1 O5 109.1(11) . . ?
O6 La1 O5 87.8(9) . . ?
O4 La1 O5 135.1(8) . . ?
O2 La1 O5 74.0(8) . . ?
O7 La1 O8 85.2(8) . . ?
O3 La1 O8 125.3(9) . . ?
O1 La1 O8 72.6(11) . . ?
O6 La1 O8 76.3(8) . . ?
O4 La1 O8 68.9(8) . . ?
O2 La1 O8 116.6(8) . . ?
O5 La1 O8 155.1(7) . . ?
O15 La2 O13 146.5(9) . . ?
O15 La2 O10 74.9(9) . . ?
O13 La2 O10 78.6(11) . . ?
O15 La2 O12 77.1(8) . . ?
O13 La2 O12 75.8(8) . . ?
O10 La2 O12 72.7(7) . . ?
O15 La2 O11 140.8(8) . . ?
O13 La2 O11 71.3(10) . . ?
O10 La2 O11 141.7(8) . . ?
O12 La2 O11 120.0(8) . . ?
O15 La2 O9 77.9(8) . . ?
O13 La2 O9 111.7(10) . . ?
O10 La2 O9 139.6(7) . . ?
O12 La2 O9 72.5(6) . . ?
O11 La2 O9 75.2(7) . . ?
O15 La2 O16 74.6(8) . . ?
O13 La2 O16 137.8(8) . . ?
O10 La2 O16 120.7(9) . . ?
O12 La2 O16 143.1(7) . . ?
O11 La2 O16 72.7(9) . . ?
O9 La2 O16 78.8(7) . . ?
O15 La2 O14 109.8(8) . . ?
O13 La2 O14 79.8(9) . . ?
O10 La2 O14 71.1(7) . . ?
O12 La2 O14 139.5(6) . . ?
O11 La2 O14 80.6(7) . . ?
O9 La2 O14 147.5(6) . . ?
O16 La2 O14 73.5(6) . . ?
S1A O1 S1B 45.7(11) . . ?
S1A O1 La1 164(3) . . ?
S1B O1 La1 150(2) . . ?
S2A O2 S2B 47.9(15) . . ?
S2A O2 La1 150.7(18) . . ?
S2B O2 La1 157(2) . . ?
S3B O3 S3A 53.6(12) . . ?
S3B O3 La1 153.9(19) . . ?
S3A O3 La1 148(2) . . ?
S4B O4 S4A 48.6(14) . . ?
S4B O4 La1 150.7(17) . . ?
S4A O4 La1 143(2) . . ?
S5A O5 S5B 47.8(9) . . ?
S5A O5 La1 161.1(16) . . ?
S5B O5 La1 145.3(16) . . ?
S6A O6 S6B 52.0(9) . . ?
S6A O6 La1 141.3(14) . . ?
S6B O6 La1 156.5(17) . . ?
S7B O7 S7A 47.0(9) . . ?
S7B O7 La1 150.6(17) . . ?
S7A O7 La1 162.1(18) . . ?
S8A O8 S8B 60.5(12) . . ?
S8A O8 La1 141.7(14) . . ?
S8B O8 La1 145.4(14) . . ?
S9 O9 La2 132.4(13) . . ?
S10 O10 La2 155.3(15) . . ?
S11B O11 S11A 48.3(12) . . ?
S11B O11 La2 164.9(19) . . ?
S11A O11 La2 133.5(14) . . ?
S12A O12 S12B 45.7(14) . . ?
S12A O12 La2 167.7(19) . . ?
S12B O12 La2 140.3(13) . . ?
S13B O13 S13A 47.9(10) . . ?
S13B O13 La2 144.1(15) . . ?
S13A O13 La2 160(2) . . ?
S14B O14 S14A 44.8(10) . . ?
S14B O14 La2 132.6(14) . . ?
S14A O14 La2 151.1(13) . . ?
S15A O15 S15B 53.9(9) . . ?
S15A O15 La2 149.1(15) . . ?
S15B O15 La2 149.8(15) . . ?
S16A O16 S16B 45.4(12) . . ?
S16A O16 La2 173.0(19) . . ?
S16B O16 La2 139.7(12) . . ?
S1B S1A O1 67.7(12) . . ?
S1B S1A C1 71.0(13) . . ?
O1 S1A C1 108.4(16) . . ?
S1B S1A C2 72.1(12) . . ?
O1 S1A C2 106.2(14) . . ?
C1 S1A C2 113(2) . . ?
S1A S1B O1 66.7(13) . . ?
S1A S1B C1 70.5(13) . . ?
O1 S1B C1 107.6(16) . . ?
S1A S1B C2 69.8(13) . . ?
O1 S1B C2 104.5(15) . . ?
C1 S1B C2 112(2) . . ?
S2B S2A O2 67.2(13) . . ?
S2B S2A C3 69.6(12) . . ?
O2 S2A C3 106.9(15) . . ?
S2B S2A C4 69.8(13) . . ?
O2 S2A C4 105.9(17) . . ?
C3 S2A C4 111(3) . . ?
S2A S2B O2 64.9(13) . . ?
S2A S2B C3 70.4(14) . . ?
O2 S2B C3 106.1(16) . . ?
S2A S2B C4 70.4(15) . . ?
O2 S2B C4 105.0(16) . . ?
C3 S2B C4 111(3) . . ?
S3B S3A O3 63.1(11) . . ?
S3B S3A C6 68.0(12) . . ?
O3 S3A C6 109(2) . . ?
S3B S3A C5 68.3(11) . . ?
O3 S3A C5 105(2) . . ?
C6 S3A C5 101(2) . . ?
S3A S3B O3 63.4(11) . . ?
S3A S3B C6 66.8(11) . . ?
O3 S3B C6 109(2) . . ?
S3A S3B C5 67.2(11) . . ?
O3 S3B C5 104.5(18) . . ?
C6 S3B C5 99.5(19) . . ?
S4B S4A O4 65.2(13) . . ?
S4B S4A C7 69.3(13) . . ?
O4 S4A C7 108(2) . . ?
S4B S4A C8 68.9(13) . . ?
O4 S4A C8 105(2) . . ?
C7 S4A C8 107(2) . . ?
S4A S4B O4 66.1(11) . . ?
S4A S4B C7 69.7(13) . . ?
O4 S4B C7 108.7(19) . . ?
S4A S4B C8 70.3(12) . . ?
O4 S4B C8 106.7(19) . . ?
C7 S4B C8 107(3) . . ?
S5B S5A O5 67.3(12) . . ?
S5B S5A C9 71.4(12) . . ?
O5 S5A C9 111.5(15) . . ?
S5B S5A C10 71.0(12) . . ?
O5 S5A C10 111.6(14) . . ?
C9 S5A C10 103.1(18) . . ?
S5A S5B O5 64.9(10) . . ?
S5A S5B C10 70.3(11) . . ?
O5 S5B C10 109.8(13) . . ?
S5A S5B C9 70.0(11) . . ?
O5 S5B C9 109.3(13) . . ?
C10 S5B C9 102.1(16) . . ?
S6B S6A O6 64.8(9) . . ?
S6B S6A C11 68.9(11) . . ?
O6 S6A C11 109.5(18) . . ?
S6B S6A C12 67.5(10) . . ?
O6 S6A C12 111.3(15) . . ?
C11 S6A C12 95.5(16) . . ?
S6A S6B O6 63.2(9) . . ?
S6A S6B C12 69.5(10) . . ?
O6 S6B C12 111.6(15) . . ?
S6A S6B C11 68.1(10) . . ?
O6 S6B C11 108.1(15) . . ?
C12 S6B C11 96.0(16) . . ?
S7B S7A O7 65.1(10) . . ?
S7B S7A C14 72.7(11) . . ?
O7 S7A C14 118.7(18) . . ?
S7B S7A C13 69.8(12) . . ?
O7 S7A C13 112.9(17) . . ?
C14 S7A C13 90.1(19) . . ?
S7A S7B O7 67.8(11) . . ?
S7A S7B C13 71.5(12) . . ?
O7 S7B C13 115.6(18) . . ?
S7A S7B C14 68.8(11) . . ?
O7 S7B C14 117.9(18) . . ?
C13 S7B C14 89(2) . . ?
O8 S8A S8B 59.8(10) . . ?
O8 S8A C15 106.6(17) . . ?
S8B S8A C15 64.7(10) . . ?
O8 S8A C16 93.9(18) . . ?
S8B S8A C16 64.2(10) . . ?
C15 S8A C16 102(2) . . ?
O8 S8B S8A 59.7(9) . . ?
O8 S8B C15 105.3(14) . . ?
S8A S8B C15 63.0(9) . . ?
O8 S8B C16 93.7(18) . . ?
S8A S8B C16 64.0(10) . . ?
C15 S8B C16 100.5(18) . . ?
O9 S9 C17 102.1(17) . . ?
O9 S9 C18 102.9(17) . . ?
C17 S9 C18 94(2) . . ?
O10 S10 C20 113.4(16) . . ?
O10 S10 C19 108.0(14) . . ?
C20 S10 C19 98(2) . . ?
S11B S11A O11 65.5(11) . . ?
S11B S11A C22 72.9(13) . . ?
O11 S11A C22 113(2) . . ?
S11B S11A C21 69.1(12) . . ?
O11 S11A C21 113.6(18) . . ?
C22 S11A C21 95.9(19) . . ?
S11A S11B O11 66.2(11) . . ?
S11A S11B C21 70.5(13) . . ?
O11 S11B C21 114.9(18) . . ?
S11A S11B C22 66.5(11) . . ?
O11 S11B C22 109.7(18) . . ?
C21 S11B C22 93.9(19) . . ?
S12B S12A O12 67.2(14) . . ?
S12B S12A C23 70.8(14) . . ?
O12 S12A C23 117(2) . . ?
S12B S12A C24 70.8(14) . . ?
O12 S12A C24 107(2) . . ?
C23 S12A C24 101(2) . . ?
S12A S12B O12 67.1(11) . . ?
S12A S12B C23 70.7(14) . . ?
O12 S12B C23 117.1(19) . . ?
S12A S12B C24 70.8(14) . . ?
O12 S12B C24 106.5(19) . . ?
C23 S12B C24 101(2) . . ?
S13B S13A O13 65.8(11) . . ?
S13B S13A C25 70.5(13) . . ?
O13 S13A C25 113(2) . . ?
S13B S13A C26 69.1(12) . . ?
O13 S13A C26 108(2) . . ?
C25 S13A C26 101(2) . . ?
S13A S13B O13 66.3(10) . . ?
S13A S13B C26 70.6(12) . . ?
O13 S13B C26 108.9(19) . . ?
S13A S13B C25 69.1(13) . . ?
O13 S13B C25 112(2) . . ?
C26 S13B C25 101(2) . . ?
S14B S14A O14 67.2(11) . . ?
S14B S14A C28 70.2(13) . . ?
O14 S14A C28 109.6(18) . . ?
S14B S14A C27 69.9(12) . . ?
O14 S14A C27 107.0(15) . . ?
C28 S14A C27 107.3(18) . . ?
S14A S14B O14 67.9(12) . . ?
S14A S14B C28 71.5(13) . . ?
O14 S14B C28 110.7(18) . . ?
S14A S14B C27 71.9(12) . . ?
O14 S14B C27 108.5(15) . . ?
C28 S14B C27 109.0(19) . . ?
S15B S15A O15 63.4(9) . . ?
S15B S15A C30 69.1(11) . . ?
O15 S15A C30 103.1(19) . . ?
S15B S15A C29 67.8(10) . . ?
O15 S15A C29 111.1(17) . . ?
C30 S15A C29 101(2) . . ?
S15A S15B O15 62.7(10) . . ?
S15A S15B C29 68.2(10) . . ?
O15 S15B C29 110.9(18) . . ?
S15A S15B C30 67.0(11) . . ?
O15 S15B C30 101.5(18) . . ?
C29 S15B C30 101(2) . . ?
S16B S16A O16 69.4(14) . . ?
S16B S16A C31 72.8(14) . . ?
O16 S16A C31 113(3) . . ?
S16B S16A C32 70.6(14) . . ?
O16 S16A C32 113(3) . . ?
C31 S16A C32 103(3) . . ?
S16A S16B O16 65.2(11) . . ?
S16A S16B C32 71.5(13) . . ?
O16 S16B C32 111(2) . . ?
S16A S16B C31 69.3(13) . . ?
O16 S16B C31 109(2) . . ?
C32 S16B C31 102(3) . . ?
S1A C1 S1B 38.5(9) . . ?
S1A C2 S1B 38.2(9) . . ?
S2B C3 S2A 39.9(13) . . ?
S2B C4 S2A 39.8(13) . . ?
S3A C5 S3B 44.5(10) . . ?
S3A C6 S3B 45.2(10) . . ?
S4B C7 S4A 40.9(12) . . ?
S4B C8 S4A 40.7(12) . . ?
S5A C9 S5B 38.6(8) . . ?
S5A C10 S5B 38.7(8) . . ?
S6A C11 S6B 43.0(8) . . ?
S6B C12 S6A 42.9(7) . . ?
S7B C13 S7A 38.6(7) . . ?
S7A C14 S7B 38.5(7) . . ?
S8A C15 S8B 52.3(11) . . ?
S8A C16 S8B 51.8(11) . . ?
S9 C17 H17A 109.5 . . ?
S9 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
S9 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
S9 C18 H18A 109.5 . . ?
S9 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
S9 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
S10 C19 H19A 109.5 . . ?
S10 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
S10 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
S10 C20 H20A 109.5 . . ?
S10 C20 H20B 109.4 . . ?
H20A C20 H20B 109.5 . . ?
S10 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
S11B C21 S11A 40.4(10) . . ?
S11A C22 S11B 40.5(10) . . ?
S12A C23 S12B 38.5(12) . . ?
S12B C24 S12A 38.3(12) . . ?
S13A C25 S13B 40.4(9) . . ?
S13B C26 S13A 40.3(9) . . ?
S14B C27 S14A 38.2(8) . . ?
S14B C28 S14A 38.3(8) . . ?
S15B C29 S15A 44.0(7) . . ?
S15A C30 S15B 43.9(7) . . ?
S16A C31 S16B 37.9(11) . . ?
S16B C32 S16A 37.9(11) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
I3 Ag1 I1 Ag2 152.6(2) . . . . ?
I2 Ag1 I1 Ag2 -41.32(11) . . . . ?
I3 Ag1 I1 Ag3 158.81(16) . . . . ?
I2 Ag1 I1 Ag3 -35.1(2) . . . . ?
I5 Ag2 I1 Ag1 -83.45(12) . . . . ?
I4 Ag2 I1 Ag1 148.79(13) . . . . ?
I2 Ag2 I1 Ag1 38.01(11) . . . . ?
I5 Ag2 I1 Ag3 102.10(10) . . . . ?
I4 Ag2 I1 Ag3 -25.66(9) . . . . ?
I2 Ag2 I1 Ag3 -136.44(11) . . . . ?
I6 Ag3 I1 Ag1 -99.60(15) . . . . ?
I7 Ag3 I1 Ag1 130.48(14) . . . . ?
I4 Ag3 I1 Ag1 18.55(17) . . . . ?
I6 Ag3 I1 Ag2 -93.72(11) . . . . ?
I7 Ag3 I1 Ag2 136.37(11) . . . . ?
I4 Ag3 I1 Ag2 24.44(9) . . . . ?
I3 Ag1 I2 Ag2 -152.4(2) . . . . ?
I1 Ag1 I2 Ag2 41.79(11) . . . . ?
I5 Ag2 I2 Ag1 80.54(13) . . . . ?
I4 Ag2 I2 Ag1 -152.18(13) . . . . ?
I1 Ag2 I2 Ag1 -38.11(11) . . . . ?
I5 Ag2 I4 Ag3 -98.19(12) . . . . ?
I2 Ag2 I4 Ag3 135.60(11) . . . . ?
I1 Ag2 I4 Ag3 26.26(9) . . . . ?
I5 Ag2 I4 Ag5 -5.03(16) . . . . ?
I2 Ag2 I4 Ag5 -131.25(11) . . . . ?
I1 Ag2 I4 Ag5 119.42(12) . . . . ?
I5 Ag2 I4 Ag4 -26.76(9) . . . . ?
I2 Ag2 I4 Ag4 -152.98(11) . . . . ?
I1 Ag2 I4 Ag4 97.69(10) . . . . ?
I6 Ag3 I4 Ag2 87.11(12) . . . . ?
I7 Ag3 I4 Ag2 -136.66(13) . . . . ?
I1 Ag3 I4 Ag2 -24.80(9) . . . . ?
I6 Ag3 I4 Ag5 -38.09(15) . . . . ?
I7 Ag3 I4 Ag5 98.14(12) . . . . ?
I1 Ag3 I4 Ag5 -150.01(10) . . . . ?
I6 Ag3 I4 Ag4 19.46(10) . . . . ?
I7 Ag3 I4 Ag4 155.69(14) . . . . ?
I1 Ag3 I4 Ag4 -92.45(10) . . . . ?
I10 Ag5 I4 Ag2 140.63(12) . . . . ?
I8 Ag5 I4 Ag2 1.94(16) . . . . ?
I9 Ag5 I4 Ag2 -109.37(11) . . . . ?
I10 Ag5 I4 Ag3 -144.47(11) . . . . ?
I8 Ag5 I4 Ag3 76.84(13) . . . . ?
I9 Ag5 I4 Ag3 -34.47(11) . . . . ?
I10 Ag5 I4 Ag4 161.03(13) . . . . ?
I8 Ag5 I4 Ag4 22.34(10) . . . . ?
I9 Ag5 I4 Ag4 -88.97(9) . . . . ?
I8 Ag4 I4 Ag2 139.84(11) . . . . ?
I6 Ag4 I4 Ag2 -97.60(11) . . . . ?
I5 Ag4 I4 Ag2 24.45(9) . . . . ?
I8 Ag4 I4 Ag3 -141.28(12) . . . . ?
I6 Ag4 I4 Ag3 -18.72(10) . . . . ?
I5 Ag4 I4 Ag3 103.33(12) . . . . ?
I8 Ag4 I4 Ag5 -21.93(9) . . . . ?
I6 Ag4 I4 Ag5 100.64(10) . . . . ?
I5 Ag4 I4 Ag5 -137.32(11) . . . . ?
I4 Ag2 I5 Ag4 28.24(10) . . . . ?
I2 Ag2 I5 Ag4 149.68(12) . . . . ?
I1 Ag2 I5 Ag4 -95.88(10) . . . . ?
I8 Ag4 I5 Ag2 -132.47(13) . . . . ?
I6 Ag4 I5 Ag2 93.35(11) . . . . ?
I4 Ag4 I5 Ag2 -24.05(9) . . . . ?
I7 Ag3 I6 Ag4 -148.81(16) . . . . ?
I4 Ag3 I6 Ag4 -20.76(11) . . . . ?
I1 Ag3 I6 Ag4 92.07(10) . . . . ?
I8 Ag4 I6 Ag3 130.44(14) . . . . ?
I5 Ag4 I6 Ag3 -98.38(13) . . . . ?
I4 Ag4 I6 Ag3 18.71(10) . . . . ?
I11 Ag7 I7 Ag3 92.17(16) . . . . ?
I9 Ag7 I7 Ag3 -40.30(12) . . . . ?
I13 Ag7 I7 Ag3 -145.77(10) . . . . ?
I6 Ag3 I7 Ag7 90.00(16) . . . . ?
I4 Ag3 I7 Ag7 -40.81(12) . . . . ?
I1 Ag3 I7 Ag7 -152.03(10) . . . . ?
I10 Ag5 I8 Ag4 -160.34(14) . . . . ?
I4 Ag5 I8 Ag4 -24.09(10) . . . . ?
I9 Ag5 I8 Ag4 75.23(11) . . . . ?
I6 Ag4 I8 Ag5 -92.85(13) . . . . ?
I5 Ag4 I8 Ag5 134.46(11) . . . . ?
I4 Ag4 I8 Ag5 22.35(10) . . . . ?
I14 Ag8 I9 Ag5 -121.02(13) . . . . ?
I13 Ag8 I9 Ag5 105.33(14) . . . . ?
I12 Ag8 I9 Ag5 -3.17(16) . . . . ?
I14 Ag8 I9 Ag6 -142.45(10) . . . . ?
I13 Ag8 I9 Ag6 83.90(9) . . . . ?
I12 Ag8 I9 Ag6 -24.60(8) . . . . ?
I14 Ag8 I9 Ag7 150.82(10) . . . . ?
I13 Ag8 I9 Ag7 17.17(9) . . . . ?
I12 Ag8 I9 Ag7 -91.33(9) . . . . ?
I10 Ag5 I9 Ag8 3.74(18) . . . . ?
I8 Ag5 I9 Ag8 136.98(13) . . . . ?
I4 Ag5 I9 Ag8 -115.87(12) . . . . ?
I10 Ag5 I9 Ag6 26.22(10) . . . . ?
I8 Ag5 I9 Ag6 159.46(12) . . . . ?
I4 Ag5 I9 Ag6 -93.39(9) . . . . ?
I10 Ag5 I9 Ag7 81.62(12) . . . . ?
I8 Ag5 I9 Ag7 -145.13(11) . . . . ?
I4 Ag5 I9 Ag7 -37.98(10) . . . . ?
I11 Ag6 I9 Ag8 -97.40(11) . . . . ?
I10 Ag6 I9 Ag8 138.94(10) . . . . ?
I12 Ag6 I9 Ag8 25.04(8) . . . . ?
I11 Ag6 I9 Ag5 98.06(11) . . . . ?
I10 Ag6 I9 Ag5 -25.60(9) . . . . ?
I12 Ag6 I9 Ag5 -139.50(10) . . . . ?
I11 Ag6 I9 Ag7 -17.57(10) . . . . ?
I10 Ag6 I9 Ag7 -141.23(12) . . . . ?
I12 Ag6 I9 Ag7 104.87(10) . . . . ?
I7 Ag7 I9 Ag8 -123.27(12) . . . . ?
I11 Ag7 I9 Ag8 96.96(12) . . . . ?
I13 Ag7 I9 Ag8 -15.60(8) . . . . ?
I7 Ag7 I9 Ag5 99.68(12) . . . . ?
I11 Ag7 I9 Ag5 -40.09(13) . . . . ?
I13 Ag7 I9 Ag5 -152.65(9) . . . . ?
I7 Ag7 I9 Ag6 157.06(14) . . . . ?
I11 Ag7 I9 Ag6 17.29(10) . . . . ?
I13 Ag7 I9 Ag6 -95.27(10) . . . . ?
I8 Ag5 I10 Ag6 -152.82(15) . . . . ?
I4 Ag5 I10 Ag6 75.90(12) . . . . ?
I9 Ag5 I10 Ag6 -26.77(10) . . . . ?
I11 Ag6 I10 Ag5 -95.82(12) . . . . ?
I12 Ag6 I10 Ag5 133.80(11) . . . . ?
I9 Ag6 I10 Ag5 26.46(10) . . . . ?
I10 Ag6 I11 Ag7 136.37(13) . . . . ?
I12 Ag6 I11 Ag7 -95.81(12) . . . . ?
I9 Ag6 I11 Ag7 18.15(10) . . . . ?
I7 Ag7 I11 Ag6 -149.42(17) . . . . ?
I9 Ag7 I11 Ag6 -17.77(10) . . . . ?
I13 Ag7 I11 Ag6 90.22(10) . . . . ?
I17 Ag10 I12 Ag6 -110.09(10) . . . . ?
I13 Ag10 I12 Ag6 29.32(11) . . . . ?
I15 Ag10 I12 Ag6 140.88(9) . . . . ?
I17 Ag10 I12 Ag8 -171.63(11) . . . . ?
I13 Ag10 I12 Ag8 -32.22(8) . . . . ?
I15 Ag10 I12 Ag8 79.33(9) . . . . ?
I17 Ag10 I12 Ag9 121.45(10) . . . . ?
I13 Ag10 I12 Ag9 -99.14(10) . . . . ?
I15 Ag10 I12 Ag9 12.41(8) . . . . ?
I11 Ag6 I12 Ag10 39.68(12) . . . . ?
I10 Ag6 I12 Ag10 169.54(10) . . . . ?
I9 Ag6 I12 Ag10 -80.57(10) . . . . ?
I11 Ag6 I12 Ag8 96.12(11) . . . . ?
I10 Ag6 I12 Ag8 -134.02(11) . . . . ?
I9 Ag6 I12 Ag8 -24.13(8) . . . . ?
I11 Ag6 I12 Ag9 110.60(13) . . . . ?
I10 Ag6 I12 Ag9 -119.54(13) . . . . ?
I9 Ag6 I12 Ag9 -9.65(14) . . . . ?
I14 Ag8 I12 Ag10 -102.32(11) . . . . ?
I13 Ag8 I12 Ag10 31.43(8) . . . . ?
I9 Ag8 I12 Ag10 143.14(10) . . . . ?
I14 Ag8 I12 Ag6 139.64(11) . . . . ?
I13 Ag8 I12 Ag6 -86.60(9) . . . . ?
I9 Ag8 I12 Ag6 25.11(8) . . . . ?
I14 Ag8 I12 Ag9 -27.82(9) . . . . ?
I13 Ag8 I12 Ag9 105.94(10) . . . . ?
I9 Ag8 I12 Ag9 -142.35(10) . . . . ?
I16 Ag9 I12 Ag10 -130.16(10) . . . . ?
I14 Ag9 I12 Ag10 101.64(11) . . . . ?
I15 Ag9 I12 Ag10 -12.13(8) . . . . ?
I16 Ag9 I12 Ag6 139.53(11) . . . . ?
I14 Ag9 I12 Ag6 11.34(15) . . . . ?
I15 Ag9 I12 Ag6 -102.44(12) . . . . ?
I16 Ag9 I12 Ag8 155.56(11) . . . . ?
I14 Ag9 I12 Ag8 27.36(9) . . . . ?
I15 Ag9 I12 Ag8 -86.41(10) . . . . ?
I17 Ag10 I13 Ag8 163.47(14) . . . . ?
I12 Ag10 I13 Ag8 33.10(9) . . . . ?
I15 Ag10 I13 Ag8 -88.60(9) . . . . ?
I17 Ag10 I13 Ag7 102.73(13) . . . . ?
I12 Ag10 I13 Ag7 -27.64(12) . . . . ?
I15 Ag10 I13 Ag7 -149.34(9) . . . . ?
I14 Ag8 I13 Ag10 96.11(12) . . . . ?
I9 Ag8 I13 Ag10 -138.68(10) . . . . ?
I12 Ag8 I13 Ag10 -31.45(8) . . . . ?
I14 Ag8 I13 Ag7 -142.19(12) . . . . ?
I9 Ag8 I13 Ag7 -16.98(9) . . . . ?
I12 Ag8 I13 Ag7 90.24(9) . . . . ?
I7 Ag7 I13 Ag10 -175.72(9) . . . . ?
I11 Ag7 I13 Ag10 -42.43(12) . . . . ?
I9 Ag7 I13 Ag10 72.65(11) . . . . ?
I7 Ag7 I13 Ag8 127.29(10) . . . . ?
I11 Ag7 I13 Ag8 -99.41(10) . . . . ?
I9 Ag7 I13 Ag8 15.67(8) . . . . ?
I16 Ag9 I14 Ag8 -144.71(14) . . . . ?
I15 Ag9 I14 Ag8 90.90(10) . . . . ?
I12 Ag9 I14 Ag8 -27.63(9) . . . . ?
I13 Ag8 I14 Ag9 -94.26(12) . . . . ?
I9 Ag8 I14 Ag9 140.42(11) . . . . ?
I12 Ag8 I14 Ag9 29.50(10) . . . . ?
I17 Ag11 I15 Ag11 107.43(12) 2_765 . . 2_765 ?
I16 Ag11 I15 Ag11 -124.82(13) . . . 2_765 ?
I15 Ag11 I15 Ag11 0.0 2_765 . . 2_765 ?
I17 Ag11 I15 Ag9 -128.41(12) 2_765 . . . ?
I16 Ag11 I15 Ag9 -0.67(9) . . . . ?
I15 Ag11 I15 Ag9 124.15(10) 2_765 . . . ?
I17 Ag11 I15 Ag10 179.17(9) 2_765 . . . ?
I16 Ag11 I15 Ag10 -53.08(11) . . . . ?
I15 Ag11 I15 Ag10 71.74(9) 2_765 . . . ?
I16 Ag9 I15 Ag11 0.68(9) . . . . ?
I14 Ag9 I15 Ag11 131.07(11) . . . . ?
I12 Ag9 I15 Ag11 -111.96(10) . . . . ?
I16 Ag9 I15 Ag11 60.61(12) . . . 2_765 ?
I14 Ag9 I15 Ag11 -168.99(9) . . . 2_765 ?
I12 Ag9 I15 Ag11 -52.02(11) . . . 2_765 ?
I16 Ag9 I15 Ag10 124.24(11) . . . . ?
I14 Ag9 I15 Ag10 -105.37(10) . . . . ?
I12 Ag9 I15 Ag10 11.60(7) . . . . ?
I17 Ag10 I15 Ag11 -75.46(10) . . . . ?
I13 Ag10 I15 Ag11 155.17(8) . . . . ?
I12 Ag10 I15 Ag11 40.45(12) . . . . ?
I17 Ag10 I15 Ag11 -6.32(8) . . . 2_765 ?
I13 Ag10 I15 Ag11 -135.68(9) . . . 2_765 ?
I12 Ag10 I15 Ag11 109.59(10) . . . 2_765 ?
I17 Ag10 I15 Ag9 -128.86(10) . . . . ?
I13 Ag10 I15 Ag9 101.77(9) . . . . ?
I12 Ag10 I15 Ag9 -12.95(8) . . . . ?
I14 Ag9 I16 Ag11 -121.73(14) . . . . ?
I15 Ag9 I16 Ag11 -0.68(9) . . . . ?
I12 Ag9 I16 Ag11 117.71(10) . . . . ?
I17 Ag11 I16 Ag9 129.77(11) 2_765 . . . ?
I15 Ag11 I16 Ag9 0.70(9) . . . . ?
I15 Ag11 I16 Ag9 -119.03(11) 2_765 . . . ?
I13 Ag10 I17 Ag11 116.22(12) . . . 2_765 ?
I12 Ag10 I17 Ag11 -114.51(10) . . . 2_765 ?
I15 Ag10 I17 Ag11 6.60(9) . . . 2_765 ?
O7 La1 O1 S1A -142(8) . . . . ?
O3 La1 O1 S1A 89(7) . . . . ?
O6 La1 O1 S1A -97(7) . . . . ?
O4 La1 O1 S1A 17(7) . . . . ?
O2 La1 O1 S1A 64(9) . . . . ?
O5 La1 O1 S1A 155(7) . . . . ?
O8 La1 O1 S1A -51(7) . . . . ?
O7 La1 O1 S1B 30(4) . . . . ?
O3 La1 O1 S1B -99(4) . . . . ?
O6 La1 O1 S1B 76(5) . . . . ?
O4 La1 O1 S1B -171(4) . . . . ?
O2 La1 O1 S1B -124(4) . . . . ?
O5 La1 O1 S1B -33(4) . . . . ?
O8 La1 O1 S1B 121(4) . . . . ?
O7 La1 O2 S2A 139(3) . . . . ?
O3 La1 O2 S2A -99(3) . . . . ?
O1 La1 O2 S2A -76(4) . . . . ?
O6 La1 O2 S2A 90(3) . . . . ?
O4 La1 O2 S2A -26(3) . . . . ?
O5 La1 O2 S2A -176(3) . . . . ?
O8 La1 O2 S2A 28(4) . . . . ?
O7 La1 O2 S2B -88(4) . . . . ?
O3 La1 O2 S2B 34(4) . . . . ?
O1 La1 O2 S2B 57(6) . . . . ?
O6 La1 O2 S2B -137(5) . . . . ?
O4 La1 O2 S2B 107(4) . . . . ?
O5 La1 O2 S2B -43(4) . . . . ?
O8 La1 O2 S2B 161(4) . . . . ?
O7 La1 O3 S3B 17(5) . . . . ?
O1 La1 O3 S3B 71(5) . . . . ?
O6 La1 O3 S3B -101(5) . . . . ?
O4 La1 O3 S3B 167(5) . . . . ?
O2 La1 O3 S3B -120(5) . . . . ?
O5 La1 O3 S3B -45(5) . . . . ?
O8 La1 O3 S3B 121(4) . . . . ?
O7 La1 O3 S3A 151(4) . . . . ?
O1 La1 O3 S3A -155(5) . . . . ?
O6 La1 O3 S3A 34(6) . . . . ?
O4 La1 O3 S3A -58(4) . . . . ?
O2 La1 O3 S3A 14(4) . . . . ?
O5 La1 O3 S3A 89(4) . . . . ?
O8 La1 O3 S3A -105(4) . . . . ?
O7 La1 O4 S4B 0(6) . . . . ?
O3 La1 O4 S4B -113(4) . . . . ?
O1 La1 O4 S4B -44(4) . . . . ?
O6 La1 O4 S4B 96(4) . . . . ?
O2 La1 O4 S4B 157(4) . . . . ?
O5 La1 O4 S4B -161(3) . . . . ?
O8 La1 O4 S4B 28(4) . . . . ?
O7 La1 O4 S4A 98(4) . . . . ?
O3 La1 O4 S4A -15(3) . . . . ?
O1 La1 O4 S4A 54(3) . . . . ?
O6 La1 O4 S4A -167(3) . . . . ?
O2 La1 O4 S4A -106(3) . . . . ?
O5 La1 O4 S4A -63(4) . . . . ?
O8 La1 O4 S4A 125(3) . . . . ?
O7 La1 O5 S5A -131(5) . . . . ?
O3 La1 O5 S5A -8(5) . . . . ?
O1 La1 O5 S5A -70(5) . . . . ?
O6 La1 O5 S5A 150(5) . . . . ?
O4 La1 O5 S5A 39(6) . . . . ?
O2 La1 O5 S5A 81(5) . . . . ?
O8 La1 O5 S5A -160(4) . . . . ?
O7 La1 O5 S5B 104(2) . . . . ?
O3 La1 O5 S5B -133(3) . . . . ?
O1 La1 O5 S5B 165(2) . . . . ?
O6 La1 O5 S5B 25(2) . . . . ?
O4 La1 O5 S5B -86(3) . . . . ?
O2 La1 O5 S5B -44(2) . . . . ?
O8 La1 O5 S5B 75(3) . . . . ?
O7 La1 O6 S6A 10(3) . . . . ?
O3 La1 O6 S6A 136(3) . . . . ?
O1 La1 O6 S6A -33(4) . . . . ?
O4 La1 O6 S6A -140(3) . . . . ?
O2 La1 O6 S6A 157(3) . . . . ?
O5 La1 O6 S6A 83(3) . . . . ?
O8 La1 O6 S6A -77(3) . . . . ?
O7 La1 O6 S6B -103(4) . . . . ?
O3 La1 O6 S6B 22(5) . . . . ?
O1 La1 O6 S6B -147(4) . . . . ?
O4 La1 O6 S6B 106(4) . . . . ?
O2 La1 O6 S6B 43(4) . . . . ?
O5 La1 O6 S6B -31(4) . . . . ?
O8 La1 O6 S6B 169(4) . . . . ?
O3 La1 O7 S7B -85(4) . . . . ?
O1 La1 O7 S7B -139(4) . . . . ?
O6 La1 O7 S7B 70(4) . . . . ?
O4 La1 O7 S7B 173(3) . . . . ?
O2 La1 O7 S7B 25(5) . . . . ?
O5 La1 O7 S7B -21(4) . . . . ?
O8 La1 O7 S7B 147(4) . . . . ?
O3 La1 O7 S7A 83(6) . . . . ?
O1 La1 O7 S7A 29(6) . . . . ?
O6 La1 O7 S7A -122(6) . . . . ?
O4 La1 O7 S7A -19(7) . . . . ?
O2 La1 O7 S7A -167(5) . . . . ?
O5 La1 O7 S7A 147(6) . . . . ?
O8 La1 O7 S7A -45(6) . . . . ?
O7 La1 O8 S8A 19(2) . . . . ?
O3 La1 O8 S8A -100(3) . . . . ?
O1 La1 O8 S8A -52(2) . . . . ?
O6 La1 O8 S8A 98(2) . . . . ?
O4 La1 O8 S8A -148(3) . . . . ?
O2 La1 O8 S8A 156(2) . . . . ?
O5 La1 O8 S8A 46(3) . . . . ?
O7 La1 O8 S8B -97(2) . . . . ?
O3 La1 O8 S8B 144(2) . . . . ?
O1 La1 O8 S8B -168(2) . . . . ?
O6 La1 O8 S8B -18(2) . . . . ?
O4 La1 O8 S8B 96(2) . . . . ?
O2 La1 O8 S8B 40(2) . . . . ?
O5 La1 O8 S8B -70(3) . . . . ?
O15 La2 O9 S9 -40.0(18) . . . . ?
O13 La2 O9 S9 106.3(18) . . . . ?
O10 La2 O9 S9 8(3) . . . . ?
O12 La2 O9 S9 40.1(17) . . . . ?
O11 La2 O9 S9 169(2) . . . . ?
O16 La2 O9 S9 -116.4(19) . . . . ?
O14 La2 O9 S9 -148.0(15) . . . . ?
O15 La2 O10 S10 -82(4) . . . . ?
O13 La2 O10 S10 118(4) . . . . ?
O12 La2 O10 S10 -163(4) . . . . ?
O11 La2 O10 S10 80(5) . . . . ?
O9 La2 O10 S10 -131(4) . . . . ?
O16 La2 O10 S10 -21(4) . . . . ?
O14 La2 O10 S10 36(4) . . . . ?
O15 La2 O11 S11B -132(6) . . . . ?
O13 La2 O11 S11B 36(6) . . . . ?
O10 La2 O11 S11B 76(6) . . . . ?
O12 La2 O11 S11B -25(6) . . . . ?
O9 La2 O11 S11B -84(6) . . . . ?
O16 La2 O11 S11B -166(6) . . . . ?
O14 La2 O11 S11B 118(6) . . . . ?
O15 La2 O11 S11A -42(3) . . . . ?
O13 La2 O11 S11A 125(3) . . . . ?
O10 La2 O11 S11A 165.1(19) . . . . ?
O12 La2 O11 S11A 65(3) . . . . ?
O9 La2 O11 S11A 6(2) . . . . ?
O16 La2 O11 S11A -77(2) . . . . ?
O14 La2 O11 S11A -152(2) . . . . ?
O15 La2 O12 S12A 49(8) . . . . ?
O13 La2 O12 S12A -151(8) . . . . ?
O10 La2 O12 S12A 127(8) . . . . ?
O11 La2 O12 S12A -93(8) . . . . ?
O9 La2 O12 S12A -32(8) . . . . ?
O16 La2 O12 S12A 8(8) . . . . ?
O14 La2 O12 S12A 154(8) . . . . ?
O15 La2 O12 S12B -64(2) . . . . ?
O13 La2 O12 S12B 96(2) . . . . ?
O10 La2 O12 S12B 14(2) . . . . ?
O11 La2 O12 S12B 154(2) . . . . ?
O9 La2 O12 S12B -145(2) . . . . ?
O16 La2 O12 S12B -105(2) . . . . ?
O14 La2 O12 S12B 41(3) . . . . ?
O15 La2 O13 S13B 24(5) . . . . ?
O10 La2 O13 S13B 62(4) . . . . ?
O12 La2 O13 S13B -13(4) . . . . ?
O11 La2 O13 S13B -142(4) . . . . ?
O9 La2 O13 S13B -77(4) . . . . ?
O16 La2 O13 S13B -174(3) . . . . ?
O14 La2 O13 S13B 135(4) . . . . ?
O15 La2 O13 S13A -93(6) . . . . ?
O10 La2 O13 S13A -55(6) . . . . ?
O12 La2 O13 S13A -130(6) . . . . ?
O11 La2 O13 S13A 101(6) . . . . ?
O9 La2 O13 S13A 166(6) . . . . ?
O16 La2 O13 S13A 68(6) . . . . ?
O14 La2 O13 S13A 17(6) . . . . ?
O15 La2 O14 S14B -149.3(18) . . . . ?
O13 La2 O14 S14B 64(2) . . . . ?
O10 La2 O14 S14B 145(2) . . . . ?
O12 La2 O14 S14B 117.5(17) . . . . ?
O11 La2 O14 S14B -8.4(18) . . . . ?
O9 La2 O14 S14B -51(3) . . . . ?
O16 La2 O14 S14B -83.0(19) . . . . ?
O15 La2 O14 S14A -78(3) . . . . ?
O13 La2 O14 S14A 135(3) . . . . ?
O10 La2 O14 S14A -144(3) . . . . ?
O12 La2 O14 S14A -172(3) . . . . ?
O11 La2 O14 S14A 62(3) . . . . ?
O9 La2 O14 S14A 20(4) . . . . ?
O16 La2 O14 S14A -12(3) . . . . ?
O13 La2 O15 S15A 169(3) . . . . ?
O10 La2 O15 S15A 130(3) . . . . ?
O12 La2 O15 S15A -155(3) . . . . ?
O11 La2 O15 S15A -33(4) . . . . ?
O9 La2 O15 S15A -80(3) . . . . ?
O16 La2 O15 S15A 1(3) . . . . ?
O14 La2 O15 S15A 67(3) . . . . ?
O13 La2 O15 S15B 42(4) . . . . ?
O10 La2 O15 S15B 4(3) . . . . ?
O12 La2 O15 S15B 79(3) . . . . ?
O11 La2 O15 S15B -159(3) . . . . ?
O9 La2 O15 S15B 154(3) . . . . ?
O16 La2 O15 S15B -125(3) . . . . ?
O14 La2 O15 S15B -59(3) . . . . ?
O15 La2 O16 S16A 162(17) . . . . ?
O13 La2 O16 S16A -8(17) . . . . ?
O10 La2 O16 S16A 100(17) . . . . ?
O12 La2 O16 S16A -157(16) . . . . ?
O11 La2 O16 S16A -40(17) . . . . ?
O9 La2 O16 S16A -118(17) . . . . ?
O14 La2 O16 S16A 45(17) . . . . ?
O15 La2 O16 S16B -64(3) . . . . ?
O13 La2 O16 S16B 127(3) . . . . ?
O10 La2 O16 S16B -125(3) . . . . ?
O12 La2 O16 S16B -23(3) . . . . ?
O11 La2 O16 S16B 95(3) . . . . ?
O9 La2 O16 S16B 17(3) . . . . ?
O14 La2 O16 S16B 180(3) . . . . ?
La1 O1 S1A S1B 175(8) . . . . ?
S1B O1 S1A C1 59.5(16) . . . . ?
La1 O1 S1A C1 -126(7) . . . . ?
S1B O1 S1A C2 -62.2(14) . . . . ?
La1 O1 S1A C2 112(7) . . . . ?
C1 S1A S1B O1 -120.1(17) . . . . ?
C2 S1A S1B O1 116.8(15) . . . . ?
O1 S1A S1B C1 120.1(17) . . . . ?
C2 S1A S1B C1 -123(2) . . . . ?
O1 S1A S1B C2 -116.8(15) . . . . ?
C1 S1A S1B C2 123(2) . . . . ?
La1 O1 S1B S1A -177(4) . . . . ?
S1A O1 S1B C1 -58.8(17) . . . . ?
La1 O1 S1B C1 124(4) . . . . ?
S1A O1 S1B C2 59.9(16) . . . . ?
La1 O1 S1B C2 -117(4) . . . . ?
La1 O2 S2A S2B 157(3) . . . . ?
S2B O2 S2A C3 -58.5(17) . . . . ?
La1 O2 S2A C3 98(3) . . . . ?
S2B O2 S2A C4 59.4(17) . . . . ?
La1 O2 S2A C4 -144(4) . . . . ?
C3 S2A S2B O2 119.4(18) . . . . ?
C4 S2A S2B O2 -118.1(19) . . . . ?
O2 S2A S2B C3 -119.4(18) . . . . ?
C4 S2A S2B C3 122(3) . . . . ?
O2 S2A S2B C4 118.1(19) . . . . ?
C3 S2A S2B C4 -122(3) . . . . ?
La1 O2 S2B S2A -151(4) . . . . ?
S2A O2 S2B C3 58.6(18) . . . . ?
La1 O2 S2B C3 -92(5) . . . . ?
S2A O2 S2B C4 -59(2) . . . . ?
La1 O2 S2B C4 150(4) . . . . ?
La1 O3 S3A S3B -157(4) . . . . ?
S3B O3 S3A C6 51.5(19) . . . . ?
La1 O3 S3A C6 -105(4) . . . . ?
S3B O3 S3A C5 -55.6(16) . . . . ?
La1 O3 S3A C5 148(3) . . . . ?
C6 S3A S3B O3 -127(3) . . . . ?
C5 S3A S3B O3 121(2) . . . . ?
O3 S3A S3B C6 127(3) . . . . ?
C5 S3A S3B C6 -112(2) . . . . ?
O3 S3A S3B C5 -121(2) . . . . ?
C6 S3A S3B C5 112(2) . . . . ?
La1 O3 S3B S3A 151(5) . . . . ?
S3A O3 S3B C6 -50.7(19) . . . . ?
La1 O3 S3B C6 101(5) . . . . ?
S3A O3 S3B C5 54.8(18) . . . . ?
La1 O3 S3B C5 -154(4) . . . . ?
La1 O4 S4A S4B -140(3) . . . . ?
S4B O4 S4A C7 56.1(18) . . . . ?
La1 O4 S4A C7 -84(3) . . . . ?
S4B O4 S4A C8 -57.5(18) . . . . ?
La1 O4 S4A C8 163(3) . . . . ?
C7 S4A S4B O4 -122(2) . . . . ?
C8 S4A S4B O4 119(2) . . . . ?
O4 S4A S4B C7 122(2) . . . . ?
C8 S4A S4B C7 -118(3) . . . . ?
O4 S4A S4B C8 -119(2) . . . . ?
C7 S4A S4B C8 118(3) . . . . ?
La1 O4 S4B S4A 128(4) . . . . ?
S4A O4 S4B C7 -57(2) . . . . ?
La1 O4 S4B C7 71(4) . . . . ?
S4A O4 S4B C8 58.9(18) . . . . ?
La1 O4 S4B C8 -173(4) . . . . ?
La1 O5 S5A S5B -141(5) . . . . ?
S5B O5 S5A C9 57.6(15) . . . . ?
La1 O5 S5A C9 -83(5) . . . . ?
S5B O5 S5A C10 -57.0(15) . . . . ?
La1 O5 S5A C10 162(4) . . . . ?
C9 S5A S5B O5 -124.0(15) . . . . ?
C10 S5A S5B O5 124.4(14) . . . . ?
O5 S5A S5B C10 -124.4(14) . . . . ?
C9 S5A S5B C10 111.6(18) . . . . ?
O5 S5A S5B C9 124.0(15) . . . . ?
C10 S5A S5B C9 -111.6(18) . . . . ?
La1 O5 S5B S5A 159(3) . . . . ?
S5A O5 S5B C10 55.6(14) . . . . ?
La1 O5 S5B C10 -145(2) . . . . ?
S5A O5 S5B C9 -55.6(14) . . . . ?
La1 O5 S5B C9 103(3) . . . . ?
La1 O6 S6A S6B -152(3) . . . . ?
S6B O6 S6A C11 53.9(14) . . . . ?
La1 O6 S6A C11 -99(3) . . . . ?
S6B O6 S6A C12 -50.4(15) . . . . ?
La1 O6 S6A C12 157(2) . . . . ?
C11 S6A S6B O6 -125.3(19) . . . . ?
C12 S6A S6B O6 129.0(18) . . . . ?
O6 S6A S6B C12 -129.0(18) . . . . ?
C11 S6A S6B C12 105.7(17) . . . . ?
O6 S6A S6B C11 125.3(19) . . . . ?
C12 S6A S6B C11 -105.7(17) . . . . ?
La1 O6 S6B S6A 133(4) . . . . ?
S6A O6 S6B C12 51.6(15) . . . . ?
La1 O6 S6B C12 -175(3) . . . . ?
S6A O6 S6B C11 -52.8(15) . . . . ?
La1 O6 S6B C11 81(4) . . . . ?
La1 O7 S7A S7B -172(6) . . . . ?
S7B O7 S7A C14 -51.1(19) . . . . ?
La1 O7 S7A C14 137(6) . . . . ?
S7B O7 S7A C13 52.5(16) . . . . ?
La1 O7 S7A C13 -119(6) . . . . ?
C14 S7A S7B O7 134(2) . . . . ?
C13 S7A S7B O7 -128.9(19) . . . . ?
O7 S7A S7B C13 128.9(19) . . . . ?
C14 S7A S7B C13 -97(2) . . . . ?
O7 S7A S7B C14 -134(2) . . . . ?
C13 S7A S7B C14 97(2) . . . . ?
La1 O7 S7B S7A 175(4) . . . . ?
S7A O7 S7B C13 -54.9(17) . . . . ?
La1 O7 S7B C13 120(4) . . . . ?
S7A O7 S7B C14 49.0(19) . . . . ?
La1 O7 S7B C14 -136(3) . . . . ?
La1 O8 S8A S8B -144(2) . . . . ?
S8B O8 S8A C15 46.4(14) . . . . ?
La1 O8 S8A C15 -98(2) . . . . ?
S8B O8 S8A C16 -57.0(15) . . . . ?
La1 O8 S8A C16 159(2) . . . . ?
La1 O8 S8B S8A 140(3) . . . . ?
S8A O8 S8B C15 -45.2(14) . . . . ?
La1 O8 S8B C15 95(2) . . . . ?
S8A O8 S8B C16 56.8(14) . . . . ?
La1 O8 S8B C16 -163(2) . . . . ?
C15 S8A S8B O8 -129.8(18) . . . . ?
C16 S8A S8B O8 112(2) . . . . ?
O8 S8A S8B C15 129.8(18) . . . . ?
C16 S8A S8B C15 -119(2) . . . . ?
O8 S8A S8B C16 -112(2) . . . . ?
C15 S8A S8B C16 119(2) . . . . ?
La2 O9 S9 C17 123(2) . . . . ?
La2 O9 S9 C18 -140(2) . . . . ?
La2 O10 S10 C20 -88(4) . . . . ?
La2 O10 S10 C19 164(4) . . . . ?
La2 O11 S11A S11B -160(3) . . . . ?
S11B O11 S11A C22 56.9(18) . . . . ?
La2 O11 S11A C22 -103(2) . . . . ?
S11B O11 S11A C21 -51.2(17) . . . . ?
La2 O11 S11A C21 149(2) . . . . ?
C22 S11A S11B O11 -126(2) . . . . ?
C21 S11A S11B O11 130(2) . . . . ?
O11 S11A S11B C21 -130(2) . . . . ?
C22 S11A S11B C21 103(2) . . . . ?
O11 S11A S11B C22 126(2) . . . . ?
C21 S11A S11B C22 -103(2) . . . . ?
La2 O11 S11B S11A 103(6) . . . . ?
S11A O11 S11B C21 52.6(18) . . . . ?
La2 O11 S11B C21 156(5) . . . . ?
S11A O11 S11B C22 -51.7(17) . . . . ?
La2 O11 S11B C22 52(6) . . . . ?
La2 O12 S12A S12B -125(8) . . . . ?
S12B O12 S12A C23 -52(2) . . . . ?
La2 O12 S12A C23 -177(7) . . . . ?
S12B O12 S12A C24 60.2(19) . . . . ?
La2 O12 S12A C24 -65(8) . . . . ?
C23 S12A S12B O12 132(2) . . . . ?
C24 S12A S12B O12 -118(2) . . . . ?
O12 S12A S12B C23 -132(2) . . . . ?
C24 S12A S12B C23 110(2) . . . . ?
O12 S12A S12B C24 118(2) . . . . ?
C23 S12A S12B C24 -110(2) . . . . ?
La2 O12 S12B S12A 164(3) . . . . ?
S12A O12 S12B C23 52(2) . . . . ?
La2 O12 S12B C23 -144(3) . . . . ?
S12A O12 S12B C24 -60.2(18) . . . . ?
La2 O12 S12B C24 104(2) . . . . ?
La2 O13 S13A S13B 135(6) . . . . ?
S13B O13 S13A C25 -54.1(19) . . . . ?
La2 O13 S13A C25 81(6) . . . . ?
S13B O13 S13A C26 56.3(18) . . . . ?
La2 O13 S13A C26 -168(5) . . . . ?
C25 S13A S13B O13 128(3) . . . . ?
C26 S13A S13B O13 -122(2) . . . . ?
O13 S13A S13B C26 122(2) . . . . ?
C25 S13A S13B C26 -110(2) . . . . ?
O13 S13A S13B C25 -128(3) . . . . ?
C26 S13A S13B C25 110(2) . . . . ?
La2 O13 S13B S13A -156(4) . . . . ?
S13A O13 S13B C26 -57.7(18) . . . . ?
La2 O13 S13B C26 146(3) . . . . ?
S13A O13 S13B C25 53(2) . . . . ?
La2 O13 S13B C25 -103(4) . . . . ?
La2 O14 S14A S14B -99(3) . . . . ?
S14B O14 S14A C28 57.3(15) . . . . ?
La2 O14 S14A C28 -42(4) . . . . ?
S14B O14 S14A C27 -58.7(14) . . . . ?
La2 O14 S14A C27 -158(3) . . . . ?
C28 S14A S14B O14 -122.5(18) . . . . ?
C27 S14A S14B O14 119.5(16) . . . . ?
O14 S14A S14B C28 122.5(18) . . . . ?
C27 S14A S14B C28 -118.0(19) . . . . ?
O14 S14A S14B C27 -119.5(16) . . . . ?
C28 S14A S14B C27 118.0(19) . . . . ?
La2 O14 S14B S14A 139.7(19) . . . . ?
S14A O14 S14B C28 -58.8(16) . . . . ?
La2 O14 S14B C28 81(2) . . . . ?
S14A O14 S14B C27 60.8(15) . . . . ?
La2 O14 S14B C27 -159.6(18) . . . . ?
La2 O15 S15A S15B -150(3) . . . . ?
S15B O15 S15A C30 58.2(16) . . . . ?
La2 O15 S15A C30 -92(3) . . . . ?
S15B O15 S15A C29 -49.7(18) . . . . ?
La2 O15 S15A C29 160(3) . . . . ?
C30 S15A S15B O15 -118(2) . . . . ?
C29 S15A S15B O15 130(2) . . . . ?
O15 S15A S15B C29 -130(2) . . . . ?
C30 S15A S15B C29 113(3) . . . . ?
O15 S15A S15B C30 118(2) . . . . ?
C29 S15A S15B C30 -113(3) . . . . ?
La2 O15 S15B S15A 149(3) . . . . ?
S15A O15 S15B C29 49.8(17) . . . . ?
La2 O15 S15B C29 -161(3) . . . . ?
S15A O15 S15B C30 -56.3(15) . . . . ?
La2 O15 S15B C30 93(3) . . . . ?
La2 O16 S16A S16B 140(16) . . . . ?
S16B O16 S16A C31 60(2) . . . . ?
La2 O16 S16A C31 -160(15) . . . . ?
S16B O16 S16A C32 -57(2) . . . . ?
La2 O16 S16A C32 83(16) . . . . ?
C31 S16A S16B O16 -124(3) . . . . ?
C32 S16A S16B O16 125(3) . . . . ?
O16 S16A S16B C32 -125(3) . . . . ?
C31 S16A S16B C32 111(3) . . . . ?
O16 S16A S16B C31 124(3) . . . . ?
C32 S16A S16B C31 -111(3) . . . . ?
La2 O16 S16B S16A -173(3) . . . . ?
S16A O16 S16B C32 56(2) . . . . ?
La2 O16 S16B C32 -117(3) . . . . ?
S16A O16 S16B C31 -55(2) . . . . ?
La2 O16 S16B C31 132(3) . . . . ?
O1 S1A C1 S1B -57.5(15) . . . . ?
C2 S1A C1 S1B 60.0(17) . . . . ?
O1 S1B C1 S1A 56.4(16) . . . . ?
C2 S1B C1 S1A -57.7(16) . . . . ?
O1 S1A C2 S1B 59.3(14) . . . . ?
C1 S1A C2 S1B -59.4(17) . . . . ?
O1 S1B C2 S1A -57.9(15) . . . . ?
C1 S1B C2 S1A 58.1(16) . . . . ?
O2 S2B C3 S2A -55.1(17) . . . . ?
C4 S2B C3 S2A 58.6(17) . . . . ?
O2 S2A C3 S2B 57.0(18) . . . . ?
C4 S2A C3 S2B -57.8(18) . . . . ?
O2 S2B C4 S2A 55.8(18) . . . . ?
C3 S2B C4 S2A -58.6(17) . . . . ?
O2 S2A C4 S2B -57.7(18) . . . . ?
C3 S2A C4 S2B 57.7(18) . . . . ?
O3 S3A C5 S3B 52.3(16) . . . . ?
C6 S3A C5 S3B -61.0(15) . . . . ?
O3 S3B C5 S3A -52.4(18) . . . . ?
C6 S3B C5 S3A 59.8(15) . . . . ?
O3 S3A C6 S3B -48.8(18) . . . . ?
C5 S3A C6 S3B 61.2(14) . . . . ?
O3 S3B C6 S3A 48.8(18) . . . . ?
C5 S3B C6 S3A -60.1(15) . . . . ?
O4 S4B C7 S4A 54.6(17) . . . . ?
C8 S4B C7 S4A -60.5(16) . . . . ?
O4 S4A C7 S4B -53.7(18) . . . . ?
C8 S4A C7 S4B 59.1(19) . . . . ?
O4 S4B C8 S4A -56.2(17) . . . . ?
C7 S4B C8 S4A 60.1(16) . . . . ?
O4 S4A C8 S4B 55.1(18) . . . . ?
C7 S4A C8 S4B -59.4(19) . . . . ?
O5 S5A C9 S5B -55.3(15) . . . . ?
C10 S5A C9 S5B 64.5(13) . . . . ?
O5 S5B C9 S5A 52.7(13) . . . . ?
C10 S5B C9 S5A -63.5(13) . . . . ?
O5 S5A C10 S5B 55.0(15) . . . . ?
C9 S5A C10 S5B -64.8(13) . . . . ?
O5 S5B C10 S5A -52.5(13) . . . . ?
C9 S5B C10 S5A 63.3(13) . . . . ?
O6 S6A C11 S6B -51.6(13) . . . . ?
C12 S6A C11 S6B 63.3(11) . . . . ?
O6 S6B C11 S6A 50.1(14) . . . . ?
C12 S6B C11 S6A -65.1(11) . . . . ?
O6 S6B C12 S6A -48.3(14) . . . . ?
C11 S6B C12 S6A 63.9(11) . . . . ?
O6 S6A C12 S6B 49.0(14) . . . . ?
C11 S6A C12 S6B -64.4(12) . . . . ?
O7 S7B C13 S7A 53.1(15) . . . . ?
C14 S7B C13 S7A -67.8(12) . . . . ?
O7 S7A C13 S7B -50.0(15) . . . . ?
C14 S7A C13 S7B 71.5(13) . . . . ?
O7 S7A C14 S7B 47.7(17) . . . . ?
C13 S7A C14 S7B -68.8(13) . . . . ?
O7 S7B C14 S7A -48.5(19) . . . . ?
C13 S7B C14 S7A 70.4(13) . . . . ?
O8 S8A C15 S8B -43.9(14) . . . . ?
C16 S8A C15 S8B 53.9(15) . . . . ?
O8 S8B C15 S8A 43.4(14) . . . . ?
C16 S8B C15 S8A -53.4(16) . . . . ?
O8 S8A C16 S8B 53.6(14) . . . . ?
C15 S8A C16 S8B -54.2(15) . . . . ?
O8 S8B C16 S8A -53.5(13) . . . . ?
C15 S8B C16 S8A 52.8(15) . . . . ?
O11 S11B C21 S11A -50.4(17) . . . . ?
C22 S11B C21 S11A 63.4(13) . . . . ?
O11 S11A C21 S11B 49.4(17) . . . . ?
C22 S11A C21 S11B -69.2(15) . . . . ?
O11 S11A C22 S11B -52.9(16) . . . . ?
C21 S11A C22 S11B 66.0(14) . . . . ?
O11 S11B C22 S11A 51.5(17) . . . . ?
C21 S11B C22 S11A -66.8(14) . . . . ?
O12 S12A C23 S12B 50(2) . . . . ?
C24 S12A C23 S12B -65.0(16) . . . . ?
O12 S12B C23 S12A -50.0(19) . . . . ?
C24 S12B C23 S12A 65.0(16) . . . . ?
O12 S12B C24 S12A 57.8(16) . . . . ?
C23 S12B C24 S12A -64.9(16) . . . . ?
O12 S12A C24 S12B -57.9(18) . . . . ?
C23 S12A C24 S12B 65.0(17) . . . . ?
O13 S13A C25 S13B 51.6(18) . . . . ?
C26 S13A C25 S13B -63.1(16) . . . . ?
O13 S13B C25 S13A -51.5(18) . . . . ?
C26 S13B C25 S13A 64.2(15) . . . . ?
O13 S13B C26 S13A 55.2(17) . . . . ?
C25 S13B C26 S13A -63.1(15) . . . . ?
O13 S13A C26 S13B -54.3(17) . . . . ?
C25 S13A C26 S13B 64.2(17) . . . . ?
O14 S14B C27 S14A -58.3(14) . . . . ?
C28 S14B C27 S14A 62.3(15) . . . . ?
O14 S14A C27 S14B 57.1(13) . . . . ?
C28 S14A C27 S14B -60.5(16) . . . . ?
O14 S14B C28 S14A 56.7(15) . . . . ?
C27 S14B C28 S14A -62.6(15) . . . . ?
O14 S14A C28 S14B -55.6(14) . . . . ?
C27 S14A C28 S14B 60.3(15) . . . . ?
O15 S15B C29 S15A -47.0(16) . . . . ?
C30 S15B C29 S15A 59.8(15) . . . . ?
O15 S15A C29 S15B 47.5(17) . . . . ?
C30 S15A C29 S15B -61.6(16) . . . . ?
O15 S15A C30 S15B -54.4(14) . . . . ?
C29 S15A C30 S15B 60.6(14) . . . . ?
O15 S15B C30 S15A 53.5(14) . . . . ?
C29 S15B C30 S15A -60.7(16) . . . . ?
O16 S16A C31 S16B -58(2) . . . . ?
C32 S16A C31 S16B 64.6(19) . . . . ?
O16 S16B C31 S16A 53(2) . . . . ?
C32 S16B C31 S16A -64.8(19) . . . . ?
O16 S16B C32 S16A -53(2) . . . . ?
C31 S16B C32 S16A 63.1(19) . . . . ?
O16 S16A C32 S16B 56(2) . . . . ?
C31 S16A C32 S16B -66.2(19) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         2.292
_refine_diff_density_min         -1.394
_refine_diff_density_rms         0.202
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1580605'
_audit_update_record             
;
2017-10-18 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C64 H196 Ag22 Ce4 I34 O34 S32'
_chemical_formula_sum            'C64 H196 Ag22 Ce4 I34 O34 S32'
_chemical_formula_weight         9784.35

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'
Ce Ce -0.2486 2.6331 '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'
Ag Ag -0.8971 1.1015 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.4179(16)
_cell_length_b                   16.9025(5)
_cell_length_c                   29.074(5)
_cell_angle_alpha                97.120(6)
_cell_angle_beta                 101.3050(10)
_cell_angle_gamma                112.265(6)
_cell_volume                     5839.3(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    253(2)
_cell_measurement_reflns_used    17639
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      24.5

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4432
_exptl_absorpt_coefficient_mu    7.380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1359
_exptl_absorpt_correction_T_max  0.3200
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      253(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 14.63
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            41389
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0806
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         3.04
_diffrn_reflns_theta_max         25.35
_reflns_number_total             20961
_reflns_number_gt                16369
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1294P)²+76.5163P] 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         20961
_refine_ls_number_parameters     622
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0406
_refine_ls_wR_factor_ref         0.1072
_refine_ls_wR_factor_gt          0.0935
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.002
_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 0.11256(16) 1.00029(13) 1.04224(7) 0.0691(5) Uani 1 1 d . . .
Ag2 Ag -0.11668(17) 0.85200(12) 0.87689(7) 0.0738(5) Uani 1 1 d . . .
Ag3 Ag 0.09606(15) 0.83435(12) 0.93664(7) 0.0672(5) Uani 1 1 d . . .
Ag4 Ag -0.06544(16) 0.69927(12) 0.84274(6) 0.0673(5) Uani 1 1 d . . .
Ag5 Ag 0.15474(16) 0.75606(13) 0.78709(7) 0.0703(5) Uani 1 1 d . . .
Ag6 Ag 0.11238(17) 0.59448(14) 0.83534(9) 0.0756(6) Uani 1 1 d . . .
Ag7 Ag 0.0581(2) 0.63031(15) 0.68115(8) 0.0688(6) Uani 1 1 d . . .
Ag8 Ag 0.00945(16) 0.37122(15) 0.73407(7) 0.0796(6) Uani 1 1 d . . .
Ag9 Ag -0.05745(16) 0.41166(14) 0.63334(7) 0.0707(5) Uani 1 1 d . . .
Ag10 Ag 0.13227(16) 0.35219(13) 0.65071(7) 0.0701(5) Uani 1 1 d . . .
Ag11 Ag 0.1821(2) 0.19837(14) 0.64240(10) 0.0624(7) Uani 1 1 d . . .
I1 I -0.08426(10) 0.84617(8) 0.98009(5) 0.0707(3) Uani 1 1 d . . .
I2 I 0.14952(14) 1.00130(10) 1.14092(6) 0.0656(4) Uani 1 1 d . . .
I3 I 0.27515(11) 0.96714(10) 1.00603(5) 0.0603(4) Uani 1 1 d . . .
I4 I 0.09574(11) 0.87870(9) 0.84376(5) 0.0560(3) Uani 1 1 d . . .
I5 I -0.28422(13) 0.68572(10) 0.83212(6) 0.0707(4) Uani 1 1 d . . .
I6 I 0.04694(13) 0.65276(9) 0.92215(5) 0.0575(3) Uani 1 1 d . . .
I7 I -0.06188(10) 0.59959(9) 0.75628(5) 0.0589(3) Uani 1 1 d . . .
I8 I 0.32400(12) 0.71875(11) 0.83784(6) 0.0671(4) Uani 1 1 d . . .
I9 I 0.1907(2) 0.80934(13) 0.70128(8) 0.0690(6) Uani 1 1 d . . .
I10 I 0.06731(13) 0.41862(10) 0.83496(5) 0.0671(4) Uani 1 1 d . . .
I11 I 0.17123(11) 0.51713(9) 0.70688(6) 0.0695(3) Uani 1 1 d . . .
I12 I -0.09209(19) 0.54223(15) 0.59161(7) 0.0751(6) Uani 1 1 d . . .
I13 I -0.21204(12) 0.32289(12) 0.68184(6) 0.0704(4) Uani 1 1 d . . .
I14 I -0.02337(13) 0.30030(11) 0.56110(6) 0.0704(4) Uani 1 1 d . . .
I15 I 0.06025(14) 0.21725(10) 0.70837(6) 0.0677(4) Uani 1 1 d . . .
I16 I 0.34859(11) 0.36134(10) 0.64644(6) 0.0641(4) Uani 1 1 d . . .
I17 I 0.1628(2) 0.04335(12) 0.59750(8) 0.0961(6) Uani 1 1 d . . .
Ce1 Ce 0.40879(8) 0.21665(7) 0.40711(4) 0.0648(2) Uani 1 1 d D . .
Ce2 Ce 0.51453(8) 0.28253(7) 0.88344(4) 0.0577(2) Uani 1 1 d D . .
O1 O 0.4767(14) 0.2256(14) 0.3347(5) 0.071(2) Uani 1 1 d D . .
O2 O 0.5547(16) 0.1626(15) 0.4198(7) 0.088(3) Uani 1 1 d D . .
O3 O 0.3216(18) 0.0683(10) 0.4191(9) 0.095(4) Uani 1 1 d D . .
O4 O 0.4574(12) 0.2394(10) 0.4967(4) 0.0711(18) Uani 1 1 d D . .
O5 O 0.2514(12) 0.2284(13) 0.4338(6) 0.079(3) Uani 1 1 d D . .
O6 O 0.2398(12) 0.1471(16) 0.3393(5) 0.075(3) Uani 1 1 d D . .
O7 O 0.3761(14) 0.3400(10) 0.3799(7) 0.078(2) Uani 1 1 d D . .
O8 O 0.5899(14) 0.3445(14) 0.4358(7) 0.088(4) Uani 1 1 d D . .
O9 O 0.4516(13) 0.4002(11) 0.8784(8) 0.074(4) Uani 1 1 d D . .
O10 O 0.3069(10) 0.2175(12) 0.8693(7) 0.074(3) Uani 1 1 d D . .
O11 O 0.4866(14) 0.2632(9) 0.9634(4) 0.0720(19) Uani 1 1 d D . .
O12 O 0.6988(12) 0.2743(12) 0.8950(7) 0.0783(18) Uani 1 1 d D . .
O13A O 0.482(3) 0.1296(10) 0.8913(10) 0.071(2) Uani 0.50 1 d PD . .
O14A O 0.442(4) 0.208(3) 0.7992(7) 0.088(5) Uani 0.50 1 d PD . .
O13B O 0.486(3) 0.1292(13) 0.8650(10) 0.071(2) Uani 0.50 1 d PD . .
O14B O 0.478(4) 0.177(3) 0.8099(9) 0.088(5) Uani 0.50 1 d PD . .
O15 O 0.6539(18) 0.4106(14) 0.9456(8) 0.086(3) Uani 1 1 d D . .
O16 O 0.5930(19) 0.3639(12) 0.8308(7) 0.083(3) Uani 1 1 d D . .
S1 S 0.4334(6) 0.2411(6) 0.2864(2) 0.081(2) Uani 1 1 d D . .
S2A S 0.6053(13) 0.1010(12) 0.4250(5) 0.098(3) Uani 0.50 1 d PD . .
S2B S 0.6242(13) 0.1433(12) 0.3947(6) 0.098(3) Uani 0.50 1 d PD . .
S3A S 0.2706(14) -0.0047(9) 0.4383(7) 0.095(4) Uani 0.50 1 d PD . .
S3B S 0.2144(15) -0.0115(9) 0.4021(7) 0.095(4) Uani 0.50 1 d PD . .
S4A S 0.5333(10) 0.2806(9) 0.5446(4) 0.0781(18) Uani 0.50 1 d PD . .
S4B S 0.5230(10) 0.2035(9) 0.5280(4) 0.0781(18) Uani 0.50 1 d PD . .
S5A S 0.2020(11) 0.2638(10) 0.4651(5) 0.086(3) Uani 0.50 1 d PD . .
S5B S 0.1576(11) 0.1811(10) 0.4462(5) 0.086(3) Uani 0.50 1 d PD . .
S6A S 0.1313(11) 0.1476(12) 0.3252(5) 0.086(3) Uani 0.50 1 d PD . .
S6B S 0.1740(11) 0.1218(12) 0.2931(5) 0.086(3) Uani 0.50 1 d PD . .
S7A S 0.4323(11) 0.4268(8) 0.3801(5) 0.083(2) Uani 0.50 1 d PD . .
S7B S 0.3220(11) 0.3940(8) 0.3836(5) 0.083(2) Uani 0.50 1 d PD . .
S8A S 0.6774(11) 0.4016(11) 0.4143(5) 0.094(4) Uani 0.50 1 d PD . .
S8B S 0.7003(12) 0.3942(11) 0.4484(6) 0.094(4) Uani 0.50 1 d PD . .
S9A S 0.3616(10) 0.4224(9) 0.8608(7) 0.075(4) Uani 0.50 1 d PD . .
S9B S 0.4604(10) 0.4606(9) 0.8496(7) 0.075(4) Uani 0.50 1 d PD . .
S10A S 0.1967(10) 0.1478(10) 0.8564(6) 0.082(3) Uani 0.50 1 d PD . .
S10B S 0.2329(11) 0.2222(10) 0.9009(6) 0.082(3) Uani 0.50 1 d PD . .
S11A S 0.5369(10) 0.2756(7) 1.0136(4) 0.0720(19) Uani 0.50 1 d PD . .
S11B S 0.4633(10) 0.1967(7) 0.9874(4) 0.0720(19) Uani 0.50 1 d PD . .
S12 S 0.7899(6) 0.2925(5) 0.9407(3) 0.0923(18) Uani 1 1 d . . .
S13A S 0.4303(10) 0.0396(7) 0.8618(4) 0.078(2) Uani 0.50 1 d PD . .
S13B S 0.5282(10) 0.0789(7) 0.8910(4) 0.078(2) Uani 0.50 1 d PD . .
S14A S 0.3660(18) 0.1813(13) 0.7539(6) 0.093(5) Uani 0.50 1 d PD . .
S14B S 0.4197(18) 0.1323(12) 0.7618(5) 0.093(5) Uani 0.50 1 d PD . .
S15 S 0.6607(8) 0.4902(7) 0.9757(4) 0.095(3) Uani 1 1 d . . .
S16A S 0.6689(15) 0.4442(10) 0.8215(5) 0.087(3) Uani 0.50 1 d PD . .
S16B S 0.6643(15) 0.3663(10) 0.7941(6) 0.087(3) Uani 0.50 1 d PD . .
C1 C 0.450(2) 0.1648(17) 0.2443(8) 0.071(2) Uani 1 1 d D . .
H1A H 0.5282 0.1768 0.2498 0.116 Uiso 1 1 calc R . .
H1B H 0.4212 0.1700 0.2119 0.116 Uiso 1 1 calc R . .
H1C H 0.4086 0.1059 0.2480 0.116 Uiso 1 1 calc R . .
C2 C 0.533(2) 0.331(2) 0.2801(9) 0.071(2) Uani 1 1 d . . .
H2A H 0.5264 0.3823 0.2963 0.116 Uiso 1 1 calc R . .
H2B H 0.5239 0.3315 0.2462 0.116 Uiso 1 1 calc R . .
H2C H 0.6052 0.3327 0.2941 0.116 Uiso 1 1 calc R . .
C3 C 0.570(2) 0.0346(16) 0.3662(8) 0.091(3) Uani 1 1 d D . .
C4 C 0.7499(15) 0.154(2) 0.4347(10) 0.091(3) Uani 1 1 d D . .
C5 C 0.1363(19) -0.0398(18) 0.4457(11) 0.091(4) Uani 1 1 d D . .
C6 C 0.250(3) -0.1029(13) 0.4007(11) 0.091(4) Uani 1 1 d D . .
C7 C 0.4766(19) 0.2084(15) 0.5803(7) 0.0751(18) Uani 1 1 d D . .
C8 C 0.6622(13) 0.2810(15) 0.5425(8) 0.0751(18) Uani 1 1 d D . .
C9 C 0.179(2) 0.2000(19) 0.5089(7) 0.084(3) Uani 1 1 d D . .
C10 C 0.0595(16) 0.2276(19) 0.4353(10) 0.084(3) Uani 1 1 d D . .
C11 C 0.126(2) 0.2016(18) 0.2779(9) 0.084(3) Uani 1 1 d D . .
C12 C 0.0353(17) 0.0468(17) 0.2868(10) 0.084(3) Uani 1 1 d D . .
C13 C 0.4191(19) 0.4862(13) 0.4303(7) 0.083(2) Uani 1 1 d D . .
C14 C 0.3428(19) 0.4590(16) 0.3414(9) 0.083(2) Uani 1 1 d D . .
C15 C 0.8126(16) 0.403(2) 0.4242(10) 0.089(4) Uani 1 1 d D . .
C16 C 0.738(2) 0.5069(12) 0.4549(9) 0.089(4) Uani 1 1 d D . .
C17 C 0.409(2) 0.5357(12) 0.8743(13) 0.080(4) Uani 1 1 d D . .
C18 C 0.347(2) 0.4159(17) 0.7990(8) 0.080(4) Uani 1 1 d D . .
C19 C 0.198(2) 0.1151(15) 0.9103(9) 0.078(3) Uani 1 1 d D . .
C20 C 0.1188(18) 0.2118(17) 0.8570(10) 0.078(3) Uani 1 1 d D . .
C21 C 0.4290(18) 0.2308(14) 1.0409(7) 0.0720(19) Uani 1 1 d D . .
C22 C 0.5885(17) 0.1952(13) 1.0200(8) 0.0720(19) Uani 1 1 d D . .
C23 C 0.858(2) 0.2286(19) 0.9249(11) 0.0803(18) Uani 1 1 d . . .
H23A H 0.8215 0.1704 0.9305 0.128 Uiso 1 1 calc R . .
H23B H 0.9354 0.2552 0.9442 0.128 Uiso 1 1 calc R . .
H23C H 0.8567 0.2244 0.8911 0.128 Uiso 1 1 calc R . .
C24 C 0.900(2) 0.3990(18) 0.9442(11) 0.0803(18) Uani 1 1 d . . .
H24A H 0.9495 0.3917 0.9253 0.128 Uiso 1 1 calc R . .
H24B H 0.9425 0.4253 0.9774 0.128 Uiso 1 1 calc R . .
H24C H 0.8674 0.4367 0.9317 0.128 Uiso 1 1 calc R . .
C25 C 0.4302(18) -0.0149(13) 0.9073(8) 0.078(2) Uani 1 1 d D . .
C26 C 0.5390(18) 0.0154(14) 0.8437(8) 0.078(2) Uani 1 1 d D . .
C27 C 0.435(3) 0.169(2) 0.7093(8) 0.084(5) Uani 1 1 d D . .
C28A C 0.265(6) 0.073(3) 0.745(2) 0.084(5) Uani 0.50 1 d PD . .
C28B C 0.300(4) 0.156(5) 0.754(2) 0.084(5) Uani 0.50 1 d PD . .
C29 C 0.786(3) 0.505(2) 1.0257(13) 0.094(3) Uani 1 1 d . . .
H29A H 0.7652 0.4567 1.0417 0.132 Uiso 1 1 calc R . .
H29B H 0.8081 0.5597 1.0488 0.132 Uiso 1 1 calc R . .
H29C H 0.8469 0.5076 1.0122 0.132 Uiso 1 1 calc R . .
C30 C 0.720(3) 0.577(2) 0.9491(13) 0.094(3) Uani 1 1 d . . .
H30A H 0.7993 0.5931 0.9549 0.132 Uiso 1 1 calc R . .
H30B H 0.7078 0.6273 0.9629 0.132 Uiso 1 1 calc R . .
H30C H 0.6851 0.5603 0.9148 0.132 Uiso 1 1 calc R . .
C31 C 0.632(3) 0.4346(17) 0.7583(7) 0.087(3) Uani 1 1 d D . .
C32 C 0.7987(16) 0.4433(17) 0.8288(10) 0.087(3) Uani 1 1 d D . .
O17 O 0.730(3) 0.051(2) 0.7222(11) 0.086(10) Uiso 0.50 1 d PD . .
O18 O 0.7461(18) 0.1916(14) 0.7994(7) 0.037(5) Uiso 0.50 1 d PD . .


_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 2.804(2) . ?
Ag1 I2 2.811(3) . ?
Ag1 I1 2.893(2) 2_577 ?
Ag1 I1 2.962(2) . ?
Ag1 Ag2 3.186(3) 2_577 ?
Ag2 I2 2.769(2) 2_577 ?
Ag2 I5 2.794(2) . ?
Ag2 I1 2.966(3) . ?
Ag2 I4 3.076(3) . ?
Ag2 Ag1 3.186(3) 2_577 ?
Ag3 I3 2.788(2) . ?
Ag3 I6 2.841(2) . ?
Ag3 I4 2.890(3) . ?
Ag3 I1 2.999(2) . ?
Ag4 I5 2.808(3) . ?
Ag4 I6 2.865(2) . ?
Ag4 I7 2.867(2) . ?
Ag4 I4 2.976(2) . ?
Ag5 I8 2.781(2) . ?
Ag5 I9 2.823(3) . ?
Ag5 I4 2.924(2) . ?
Ag5 I7 2.968(2) . ?
Ag6 I10 2.798(3) . ?
Ag6 I8 2.800(3) . ?
Ag6 I7 2.975(2) . ?
Ag6 I6 3.003(3) . ?
Ag7 I9 2.782(3) . ?
Ag7 I12 2.786(3) . ?
Ag7 I11 2.938(3) . ?
Ag7 I7 2.943(3) . ?
Ag8 I13 2.809(2) . ?
Ag8 I10 2.811(2) . ?
Ag8 I11 2.919(3) . ?
Ag8 I15 2.976(3) . ?
Ag9 I12 2.789(3) . ?
Ag9 I13 2.803(3) . ?
Ag9 I14 2.866(2) . ?
Ag9 I11 3.083(2) . ?
Ag10 I14 2.798(3) . ?
Ag10 I11 2.854(2) . ?
Ag10 I16 2.876(2) . ?
Ag10 I15 2.976(3) . ?
Ag11 I17 2.672(3) . ?
Ag11 I16 2.783(3) . ?
Ag11 I15 2.815(3) . ?
I1 Ag1 2.893(2) 2_577 ?
I2 Ag2 2.769(2) 2_577 ?
Ce1 O3 2.435(14) . ?
Ce1 O2 2.441(13) . ?
Ce1 O1 2.453(13) . ?
Ce1 O5 2.454(11) . ?
Ce1 O8 2.460(14) . ?
Ce1 O6 2.463(11) . ?
Ce1 O7 2.476(13) . ?
Ce1 O4 2.501(11) . ?
Ce2 O16 2.325(14) . ?
Ce2 O14A 2.429(17) . ?
Ce2 O13B 2.443(16) . ?
Ce2 O14B 2.446(17) . ?
Ce2 O9 2.446(14) . ?
Ce2 O15 2.468(15) . ?
Ce2 O11 2.468(11) . ?
Ce2 O12 2.488(13) . ?
Ce2 O13A 2.500(16) . ?
Ce2 O10 2.502(12) . ?
O1 S1 1.505(18) . ?
O2 S2B 1.39(2) . ?
O2 S2A 1.45(2) . ?
O3 S3A 1.41(2) . ?
O3 S3B 1.49(2) . ?
O4 S4A 1.459(13) . ?
O4 S4B 1.484(14) . ?
O5 S5B 1.357(15) . ?
O5 S5A 1.424(15) . ?
O6 S6B 1.368(14) . ?
O6 S6A 1.436(15) . ?
O7 S7B 1.37(2) . ?
O7 S7A 1.371(19) . ?
O8 S8B 1.343(19) . ?
O8 S8A 1.51(2) . ?
O9 S9B 1.386(17) . ?
O9 S9A 1.418(14) . ?
O10 S10A 1.438(15) . ?
O10 S10B 1.494(16) . ?
O11 S11B 1.365(13) . ?
O11 S11A 1.436(13) . ?
O12 S12 1.528(18) . ?
O13A O13B 0.77(4) . ?
O13A S13A 1.473(17) . ?
O14A O14B 0.88(5) . ?
O14A S14A 1.400(18) . ?
O13B S13B 1.405(17) . ?
O14B S14B 1.413(17) . ?
O15 S15 1.47(2) . ?
O16 S16A 1.45(2) . ?
O16 S16B 1.56(2) . ?
S1 C2 1.66(3) . ?
S1 C1 1.771(17) . ?
S2A C4 1.748(18) . ?
S2A C3 1.793(17) . ?
S2B C3 1.724(18) . ?
S2B C4 1.780(17) . ?
S3A C5 1.738(18) . ?
S3A C6 1.764(17) . ?
S3B C6 1.781(17) . ?
S3B C5 1.794(18) . ?
S4A C8 1.740(16) . ?
S4A C7 1.749(16) . ?
S4B C8 1.756(16) . ?
S4B C7 1.756(16) . ?
S5A C10 1.764(17) . ?
S5A C9 1.767(17) . ?
S5B C9 1.756(17) . ?
S5B C10 1.769(17) . ?
S6A C11 1.746(17) . ?
S6A C12 1.764(18) . ?
S6B C12 1.767(17) . ?
S6B C11 1.770(18) . ?
S7A C13 1.743(17) . ?
S7A C14 1.766(16) . ?
S7B C14 1.739(16) . ?
S7B C13 1.791(16) . ?
S8A C15 1.772(17) . ?
S8A C16 1.797(17) . ?
S8B C15 1.749(17) . ?
S8B C16 1.752(18) . ?
S9A C17 1.737(17) . ?
S9A C18 1.752(18) . ?
S9B C18 1.740(17) . ?
S9B C17 1.796(17) . ?
S10A C19 1.726(18) . ?
S10A C20 1.767(17) . ?
S10B C20 1.725(17) . ?
S10B C19 1.762(17) . ?
S11A C21 1.751(16) . ?
S11A C22 1.756(16) . ?
S11B C22 1.771(16) . ?
S11B C21 1.794(16) . ?
S12 C23 1.74(3) . ?
S12 C24 1.82(3) . ?
S13A C25 1.703(16) . ?
S13A C26 1.808(16) . ?
S13B C26 1.699(16) . ?
S13B C25 1.822(16) . ?
S14A C28A 1.77(2) . ?
S14A C27 1.775(19) . ?
S14B C27 1.737(18) . ?
S14B C28B 1.77(2) . ?
S15 C30 1.74(4) . ?
S15 C29 1.90(4) . ?
S16A C32 1.718(18) . ?
S16A C31 1.775(17) . ?
S16B C31 1.764(17) . ?
S16B C32 1.773(18) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 H1C 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 H2C 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 H24C 0.9700 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 H29C 0.9700 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 H30C 0.9700 . ?

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 I2 110.65(8) . . ?
I3 Ag1 I1 114.26(8) . 2_577 ?
I2 Ag1 I1 112.69(7) . 2_577 ?
I3 Ag1 I1 97.22(7) . . ?
I2 Ag1 I1 114.41(8) . . ?
I1 Ag1 I1 106.70(7) 2_577 . ?
I3 Ag1 Ag2 134.93(9) . 2_577 ?
I2 Ag1 Ag2 54.56(6) . 2_577 ?
I1 Ag1 Ag2 58.15(6) 2_577 2_577 ?
I1 Ag1 Ag2 127.84(8) . 2_577 ?
I2 Ag2 I5 119.27(9) 2_577 . ?
I2 Ag2 I1 111.73(8) 2_577 . ?
I5 Ag2 I1 102.29(8) . . ?
I2 Ag2 I4 101.58(8) 2_577 . ?
I5 Ag2 I4 110.16(8) . . ?
I1 Ag2 I4 112.12(7) . . ?
I2 Ag2 Ag1 55.80(6) 2_577 2_577 ?
I5 Ag2 Ag1 130.18(10) . 2_577 ?
I1 Ag2 Ag1 55.96(6) . 2_577 ?
I4 Ag2 Ag1 119.47(8) . 2_577 ?
I3 Ag3 I6 125.72(8) . . ?
I3 Ag3 I4 108.95(8) . . ?
I6 Ag3 I4 106.39(7) . . ?
I3 Ag3 I1 96.74(7) . . ?
I6 Ag3 I1 102.61(7) . . ?
I4 Ag3 I1 116.70(7) . . ?
I5 Ag4 I6 121.88(9) . . ?
I5 Ag4 I7 107.56(7) . . ?
I6 Ag4 I7 107.52(7) . . ?
I5 Ag4 I4 112.72(8) . . ?
I6 Ag4 I4 103.53(7) . . ?
I7 Ag4 I4 101.76(8) . . ?
I8 Ag5 I9 114.07(9) . . ?
I8 Ag5 I4 114.73(8) . . ?
I9 Ag5 I4 109.99(8) . . ?
I8 Ag5 I7 111.46(8) . . ?
I9 Ag5 I7 104.72(8) . . ?
I4 Ag5 I7 100.61(7) . . ?
I10 Ag6 I8 122.74(9) . . ?
I10 Ag6 I7 107.88(8) . . ?
I8 Ag6 I7 110.71(9) . . ?
I10 Ag6 I6 103.48(9) . . ?
I8 Ag6 I6 108.44(8) . . ?
I7 Ag6 I6 101.27(7) . . ?
I9 Ag7 I12 121.72(10) . . ?
I9 Ag7 I11 116.75(10) . . ?
I12 Ag7 I11 105.38(9) . . ?
I9 Ag7 I7 106.47(8) . . ?
I12 Ag7 I7 109.21(10) . . ?
I11 Ag7 I7 93.53(7) . . ?
I13 Ag8 I10 119.48(8) . . ?
I13 Ag8 I11 113.33(9) . . ?
I10 Ag8 I11 104.02(8) . . ?
I13 Ag8 I15 105.85(8) . . ?
I10 Ag8 I15 107.01(9) . . ?
I11 Ag8 I15 106.37(8) . . ?
I12 Ag9 I13 117.13(9) . . ?
I12 Ag9 I14 106.90(9) . . ?
I13 Ag9 I14 114.63(9) . . ?
I12 Ag9 I11 101.61(8) . . ?
I13 Ag9 I11 108.72(8) . . ?
I14 Ag9 I11 106.64(7) . . ?
I14 Ag10 I11 115.18(8) . . ?
I14 Ag10 I16 114.37(8) . . ?
I11 Ag10 I16 105.95(8) . . ?
I14 Ag10 I15 109.91(8) . . ?
I11 Ag10 I15 108.06(8) . . ?
I16 Ag10 I15 102.45(7) . . ?
I17 Ag11 I16 126.27(10) . . ?
I17 Ag11 I15 123.52(10) . . ?
I16 Ag11 I15 109.18(8) . . ?
Ag1 I1 Ag1 73.30(7) 2_577 . ?
Ag1 I1 Ag2 65.89(6) 2_577 . ?
Ag1 I1 Ag2 112.27(7) . . ?
Ag1 I1 Ag3 106.21(7) 2_577 . ?
Ag1 I1 Ag3 79.31(6) . . ?
Ag2 I1 Ag3 64.34(6) . . ?
Ag2 I2 Ag1 69.64(7) 2_577 . ?
Ag3 I3 Ag1 85.73(7) . . ?
Ag3 I4 Ag5 107.50(7) . . ?
Ag3 I4 Ag4 64.29(6) . . ?
Ag5 I4 Ag4 73.21(6) . . ?
Ag3 I4 Ag2 64.23(6) . . ?
Ag5 I4 Ag2 131.21(7) . . ?
Ag4 I4 Ag2 59.76(6) . . ?
Ag2 I5 Ag4 65.17(6) . . ?
Ag3 I6 Ag4 66.35(6) . . ?
Ag3 I6 Ag6 110.71(8) . . ?
Ag4 I6 Ag6 72.96(6) . . ?
Ag4 I7 Ag7 137.61(8) . . ?
Ag4 I7 Ag5 74.14(7) . . ?
Ag7 I7 Ag5 66.16(7) . . ?
Ag4 I7 Ag6 73.36(7) . . ?
Ag7 I7 Ag6 100.55(8) . . ?
Ag5 I7 Ag6 63.69(6) . . ?
Ag5 I8 Ag6 68.37(7) . . ?
Ag7 I9 Ag5 70.28(7) . . ?
Ag6 I10 Ag8 92.87(8) . . ?
Ag10 I11 Ag8 68.17(7) . . ?
Ag10 I11 Ag7 126.40(8) . . ?
Ag8 I11 Ag7 105.96(8) . . ?
Ag10 I11 Ag9 61.70(6) . . ?
Ag8 I11 Ag9 62.74(6) . . ?
Ag7 I11 Ag9 68.63(7) . . ?
Ag7 I12 Ag9 75.05(8) . . ?
Ag9 I13 Ag8 67.74(7) . . ?
Ag10 I14 Ag9 65.17(6) . . ?
Ag11 I15 Ag8 125.96(8) . . ?
Ag11 I15 Ag10 60.33(7) . . ?
Ag8 I15 Ag10 65.85(6) . . ?
Ag11 I16 Ag10 61.96(7) . . ?
O3 Ce1 O2 73.5(8) . . ?
O3 Ce1 O1 114.2(8) . . ?
O2 Ce1 O1 74.8(7) . . ?
O3 Ce1 O5 81.5(8) . . ?
O2 Ce1 O5 146.1(7) . . ?
O1 Ce1 O5 137.7(6) . . ?
O3 Ce1 O8 138.9(7) . . ?
O2 Ce1 O8 72.3(8) . . ?
O1 Ce1 O8 77.6(6) . . ?
O5 Ce1 O8 117.2(8) . . ?
O3 Ce1 O6 76.7(7) . . ?
O2 Ce1 O6 122.8(7) . . ?
O1 Ce1 O6 74.7(6) . . ?
O5 Ce1 O6 71.2(6) . . ?
O8 Ce1 O6 142.3(7) . . ?
O3 Ce1 O7 145.5(7) . . ?
O2 Ce1 O7 139.6(7) . . ?
O1 Ce1 O7 76.6(7) . . ?
O5 Ce1 O7 70.9(6) . . ?
O8 Ce1 O7 74.1(7) . . ?
O6 Ce1 O7 75.0(7) . . ?
O3 Ce1 O4 77.5(7) . . ?
O2 Ce1 O4 80.0(6) . . ?
O1 Ce1 O4 147.1(5) . . ?
O5 Ce1 O4 72.4(6) . . ?
O8 Ce1 O4 74.8(6) . . ?
O6 Ce1 O4 137.8(6) . . ?
O7 Ce1 O4 111.9(6) . . ?
O16 Ce2 O14A 64.9(13) . . ?
O16 Ce2 O13B 114.2(10) . . ?
O14A Ce2 O13B 63.4(13) . . ?
O16 Ce2 O14B 73.7(13) . . ?
O14A Ce2 O14B 20.8(13) . . ?
O13B Ce2 O14B 45.4(13) . . ?
O16 Ce2 O9 70.5(8) . . ?
O14A Ce2 O9 98.2(12) . . ?
O13B Ce2 O9 152.5(8) . . ?
O14B Ce2 O9 118.9(10) . . ?
O16 Ce2 O15 83.7(8) . . ?
O14A Ce2 O15 148.3(14) . . ?
O13B Ce2 O15 132.7(9) . . ?
O14B Ce2 O15 146.8(13) . . ?
O9 Ce2 O15 73.7(8) . . ?
O16 Ce2 O11 153.4(6) . . ?
O14A Ce2 O11 141.5(13) . . ?
O13B Ce2 O11 88.1(8) . . ?
O14B Ce2 O11 131.8(13) . . ?
O9 Ce2 O11 96.7(7) . . ?
O15 Ce2 O11 70.2(7) . . ?
O16 Ce2 O12 77.5(7) . . ?
O14A Ce2 O12 96.3(13) . . ?
O13B Ce2 O12 70.6(9) . . ?
O14B Ce2 O12 79.9(11) . . ?
O9 Ce2 O12 134.7(6) . . ?
O15 Ce2 O12 71.6(8) . . ?
O11 Ce2 O12 98.1(6) . . ?
O16 Ce2 O13A 131.1(9) . . ?
O14A Ce2 O13A 80.1(13) . . ?
O13B Ce2 O13A 18.0(9) . . ?
O14B Ce2 O13A 63.1(13) . . ?
O9 Ce2 O13A 151.5(10) . . ?
O15 Ce2 O13A 121.6(9) . . ?
O11 Ce2 O13A 70.2(8) . . ?
O12 Ce2 O13A 73.5(9) . . ?
O16 Ce2 O10 119.0(7) . . ?
O14A Ce2 O10 75.2(13) . . ?
O13B Ce2 O10 83.2(9) . . ?
O14B Ce2 O10 85.1(12) . . ?
O9 Ce2 O10 71.8(6) . . ?
O15 Ce2 O10 127.7(7) . . ?
O11 Ce2 O10 76.1(6) . . ?
O12 Ce2 O10 153.5(6) . . ?
O13A Ce2 O10 80.3(9) . . ?
S1 O1 Ce1 132.9(11) . . ?
S2B O2 S2A 50.1(11) . . ?
S2B O2 Ce1 138.8(14) . . ?
S2A O2 Ce1 158.9(16) . . ?
S3A O3 S3B 45.8(10) . . ?
S3A O3 Ce1 163.9(19) . . ?
S3B O3 Ce1 141.0(13) . . ?
S4A O4 S4B 51.5(8) . . ?
S4A O4 Ce1 153.1(11) . . ?
S4B O4 Ce1 128.7(10) . . ?
S5B O5 S5A 55.1(8) . . ?
S5B O5 Ce1 142.5(13) . . ?
S5A O5 Ce1 154.4(13) . . ?
S6B O6 S6A 55.1(8) . . ?
S6B O6 Ce1 159.4(15) . . ?
S6A O6 Ce1 138.6(13) . . ?
S7B O7 S7A 61.4(10) . . ?
S7B O7 Ce1 146.1(13) . . ?
S7A O7 Ce1 140.9(11) . . ?
S8B O8 S8A 41.3(9) . . ?
S8B O8 Ce1 162(2) . . ?
S8A O8 Ce1 137.5(12) . . ?
S9B O9 S9A 58.1(9) . . ?
S9B O9 Ce2 134.7(14) . . ?
S9A O9 Ce2 146.3(13) . . ?
S10A O10 S10B 63.4(11) . . ?
S10A O10 Ce2 155.5(13) . . ?
S10B O10 Ce2 132.4(12) . . ?
S11B O11 S11A 57.0(7) . . ?
S11B O11 Ce2 136.9(10) . . ?
S11A O11 Ce2 147.4(11) . . ?
S12 O12 Ce2 130.8(11) . . ?
O13B O13A S13A 69(2) . . ?
O13B O13A Ce2 76.8(18) . . ?
S13A O13A Ce2 140.4(17) . . ?
O14B O14A S14A 123(3) . . ?
O14B O14A Ce2 80.7(15) . . ?
S14A O14A Ce2 154(3) . . ?
O13A O13B S13B 61(2) . . ?
O13A O13B Ce2 85.2(19) . . ?
S13B O13B Ce2 132.5(16) . . ?
O14A O14B S14B 75(2) . . ?
O14A O14B Ce2 78.5(19) . . ?
S14B O14B Ce2 153(2) . . ?
S15 O15 Ce2 139.1(15) . . ?
S16A O16 S16B 56.4(11) . . ?
S16A O16 Ce2 150.9(14) . . ?
S16B O16 Ce2 142.5(13) . . ?
O1 S1 C2 106.3(12) . . ?
O1 S1 C1 104.9(13) . . ?
C2 S1 C1 97.8(14) . . ?
O2 S2A C4 110.3(17) . . ?
O2 S2A C3 106.6(14) . . ?
C4 S2A C3 99.4(15) . . ?
O2 S2B C3 113.1(17) . . ?
O2 S2B C4 111.3(15) . . ?
C3 S2B C4 100.8(15) . . ?
O3 S3A C5 124.6(17) . . ?
O3 S3A C6 111.3(19) . . ?
C5 S3A C6 96.7(16) . . ?
O3 S3B C6 106.4(16) . . ?
O3 S3B C5 116.0(17) . . ?
C6 S3B C5 94.1(16) . . ?
O4 S4A C8 107.5(12) . . ?
O4 S4A C7 104.0(12) . . ?
C8 S4A C7 108.3(12) . . ?
O4 S4B C8 105.6(12) . . ?
O4 S4B C7 102.6(11) . . ?
C8 S4B C7 107.3(12) . . ?
O5 S5A C10 107.5(13) . . ?
O5 S5A C9 107.7(13) . . ?
C10 S5A C9 95.5(14) . . ?
O5 S5B C9 111.6(14) . . ?
O5 S5B C10 110.4(14) . . ?
C9 S5B C10 95.7(13) . . ?
O6 S6A C11 109.5(15) . . ?
O6 S6A C12 110.2(15) . . ?
C11 S6A C12 91.0(15) . . ?
O6 S6B C12 113.5(15) . . ?
O6 S6B C11 111.5(16) . . ?
C12 S6B C11 90.1(15) . . ?
O7 S7A C13 106.4(14) . . ?
O7 S7A C14 108.6(13) . . ?
C13 S7A C14 90.8(13) . . ?
O7 S7B C14 110.0(14) . . ?
O7 S7B C13 103.9(13) . . ?
C14 S7B C13 90.1(13) . . ?
O8 S8A C15 122.0(17) . . ?
O8 S8A C16 104.2(15) . . ?
C15 S8A C16 88.5(16) . . ?
O8 S8B C15 136.4(18) . . ?
O8 S8B C16 114.7(19) . . ?
C15 S8B C16 90.7(16) . . ?
O9 S9A C17 108.8(13) . . ?
O9 S9A C18 107.0(15) . . ?
C17 S9A C18 93.8(16) . . ?
O9 S9B C18 109.2(14) . . ?
O9 S9B C17 107.2(16) . . ?
C18 S9B C17 92.2(14) . . ?
O10 S10A C19 99.2(14) . . ?
O10 S10A C20 98.7(13) . . ?
C19 S10A C20 103.2(15) . . ?
O10 S10B C20 98.3(14) . . ?
O10 S10B C19 95.5(14) . . ?
C20 S10B C19 103.4(14) . . ?
O11 S11A C21 107.5(12) . . ?
O11 S11A C22 107.7(11) . . ?
C21 S11A C22 95.2(13) . . ?
O11 S11B C22 110.3(12) . . ?
O11 S11B C21 108.6(12) . . ?
C22 S11B C21 93.2(12) . . ?
O12 S12 C23 103.9(13) . . ?
O12 S12 C24 106.3(12) . . ?
C23 S12 C24 97.6(13) . . ?
O13A S13A C25 98.2(14) . . ?
O13A S13A C26 108.3(17) . . ?
C25 S13A C26 93.4(12) . . ?
O13B S13B C26 97.8(15) . . ?
O13B S13B C25 118.3(17) . . ?
C26 S13B C25 93.1(12) . . ?
O14A S14A C28A 111(3) . . ?
O14A S14A C27 109(2) . . ?
C28A S14A C27 101(3) . . ?
O14B S14B C27 129(3) . . ?
O14B S14B C28B 101.3(15) . . ?
C27 S14B C28B 86(3) . . ?
O15 S15 C30 107.5(17) . . ?
O15 S15 C29 96.6(16) . . ?
C30 S15 C29 101.2(18) . . ?
O16 S16A C32 109.2(16) . . ?
O16 S16A C31 106.5(15) . . ?
C32 S16A C31 99.5(16) . . ?
O16 S16B C31 102.3(15) . . ?
O16 S16B C32 101.7(15) . . ?
C31 S16B C32 97.9(15) . . ?
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 . . ?
S2B C3 S2A 40.0(9) . . ?
S2A C4 S2B 39.9(9) . . ?
S3A C5 S3B 37.3(8) . . ?
S3A C6 S3B 37.2(8) . . ?
S4A C7 S4B 42.8(7) . . ?
S4A C8 S4B 42.9(7) . . ?
S5B C9 S5A 42.9(6) . . ?
S5A C10 S5B 42.8(6) . . ?
S6A C11 S6B 43.3(6) . . ?
S6A C12 S6B 43.1(6) . . ?
S7A C13 S7B 46.7(8) . . ?
S7B C14 S7A 47.1(8) . . ?
S8B C15 S8A 33.6(7) . . ?
S8B C16 S8A 33.3(7) . . ?
S9A C17 S9B 45.3(6) . . ?
S9B C18 S9A 45.9(7) . . ?
S10A C19 S10B 52.5(9) . . ?
S10B C20 S10A 52.4(9) . . ?
S11A C21 S11B 44.3(5) . . ?
S11A C22 S11B 44.6(6) . . ?
S12 C23 H23A 109.5 . . ?
S12 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
S12 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
S12 C24 H24A 109.5 . . ?
S12 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
S12 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
S13A C25 S13B 42.5(6) . . ?
S13B C26 S13A 42.8(6) . . ?
S14B C27 S14A 43.4(7) . . ?
S15 C29 H29A 109.5 . . ?
S15 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
S15 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
S15 C30 H30A 109.5 . . ?
S15 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
S15 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
S16B C31 S16A 47.5(9) . . ?
S16A C32 S16B 48.1(9) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
I3 Ag1 I1 Ag1 -118.06(10) . . . 2_577 ?
I2 Ag1 I1 Ag1 125.33(10) . . . 2_577 ?
I1 Ag1 I1 Ag1 0.0 2_577 . . 2_577 ?
Ag2 Ag1 I1 Ag1 62.32(9) 2_577 . . 2_577 ?
I3 Ag1 I1 Ag2 -63.77(9) . . . . ?
I2 Ag1 I1 Ag2 179.62(7) . . . . ?
I1 Ag1 I1 Ag2 54.29(8) 2_577 . . . ?
Ag2 Ag1 I1 Ag2 116.61(9) 2_577 . . . ?
I3 Ag1 I1 Ag3 -7.38(7) . . . . ?
I2 Ag1 I1 Ag3 -123.99(8) . . . . ?
I1 Ag1 I1 Ag3 110.68(8) 2_577 . . . ?
Ag2 Ag1 I1 Ag3 173.00(11) 2_577 . . . ?
I2 Ag2 I1 Ag1 -1.80(8) 2_577 . . 2_577 ?
I5 Ag2 I1 Ag1 -130.52(9) . . . 2_577 ?
I4 Ag2 I1 Ag1 111.48(8) . . . 2_577 ?
I2 Ag2 I1 Ag1 -60.23(10) 2_577 . . . ?
I5 Ag2 I1 Ag1 171.04(7) . . . . ?
I4 Ag2 I1 Ag1 53.05(9) . . . . ?
Ag1 Ag2 I1 Ag1 -58.44(8) 2_577 . . . ?
I2 Ag2 I1 Ag3 -125.45(10) 2_577 . . . ?
I5 Ag2 I1 Ag3 105.82(8) . . . . ?
I4 Ag2 I1 Ag3 -12.17(7) . . . . ?
Ag1 Ag2 I1 Ag3 -123.66(7) 2_577 . . . ?
I3 Ag3 I1 Ag1 76.35(8) . . . 2_577 ?
I6 Ag3 I1 Ag1 -154.68(7) . . . 2_577 ?
I4 Ag3 I1 Ag1 -38.83(10) . . . 2_577 ?
I3 Ag3 I1 Ag1 7.41(7) . . . . ?
I6 Ag3 I1 Ag1 136.38(7) . . . . ?
I4 Ag3 I1 Ag1 -107.77(8) . . . . ?
I3 Ag3 I1 Ag2 128.65(8) . . . . ?
I6 Ag3 I1 Ag2 -102.39(7) . . . . ?
I4 Ag3 I1 Ag2 13.46(7) . . . . ?
I3 Ag1 I2 Ag2 131.16(9) . . . 2_577 ?
I1 Ag1 I2 Ag2 1.86(8) 2_577 . . 2_577 ?
I1 Ag1 I2 Ag2 -120.26(9) . . . 2_577 ?
I6 Ag3 I3 Ag1 -118.56(10) . . . . ?
I4 Ag3 I3 Ag1 113.54(8) . . . . ?
I1 Ag3 I3 Ag1 -7.72(7) . . . . ?
I2 Ag1 I3 Ag3 127.36(9) . . . . ?
I1 Ag1 I3 Ag3 -104.19(9) 2_577 . . . ?
I1 Ag1 I3 Ag3 7.82(8) . . . . ?
Ag2 Ag1 I3 Ag3 -172.60(12) 2_577 . . . ?
I3 Ag3 I4 Ag5 110.92(8) . . . . ?
I6 Ag3 I4 Ag5 -27.19(9) . . . . ?
I1 Ag3 I4 Ag5 -140.93(7) . . . . ?
I3 Ag3 I4 Ag4 171.71(9) . . . . ?
I6 Ag3 I4 Ag4 33.60(7) . . . . ?
I1 Ag3 I4 Ag4 -80.14(8) . . . . ?
I3 Ag3 I4 Ag2 -121.14(8) . . . . ?
I6 Ag3 I4 Ag2 100.76(8) . . . . ?
I1 Ag3 I4 Ag2 -12.98(7) . . . . ?
I8 Ag5 I4 Ag3 -40.83(11) . . . . ?
I9 Ag5 I4 Ag3 -171.02(8) . . . . ?
I7 Ag5 I4 Ag3 78.92(8) . . . . ?
I8 Ag5 I4 Ag4 -96.06(9) . . . . ?
I9 Ag5 I4 Ag4 133.75(9) . . . . ?
I7 Ag5 I4 Ag4 23.68(6) . . . . ?
I8 Ag5 I4 Ag2 -111.56(11) . . . . ?
I9 Ag5 I4 Ag2 118.25(11) . . . . ?
I7 Ag5 I4 Ag2 8.18(12) . . . . ?
I5 Ag4 I4 Ag3 100.81(9) . . . . ?
I6 Ag4 I4 Ag3 -32.79(7) . . . . ?
I7 Ag4 I4 Ag3 -144.28(8) . . . . ?
I5 Ag4 I4 Ag5 -139.59(9) . . . . ?
I6 Ag4 I4 Ag5 86.81(7) . . . . ?
I7 Ag4 I4 Ag5 -24.68(6) . . . . ?
I5 Ag4 I4 Ag2 26.95(8) . . . . ?
I6 Ag4 I4 Ag2 -106.65(8) . . . . ?
I7 Ag4 I4 Ag2 141.86(8) . . . . ?
I2 Ag2 I4 Ag3 132.07(8) 2_577 . . . ?
I5 Ag2 I4 Ag3 -100.56(9) . . . . ?
I1 Ag2 I4 Ag3 12.65(7) . . . . ?
Ag1 Ag2 I4 Ag3 74.98(9) 2_577 . . . ?
I2 Ag2 I4 Ag5 -136.73(9) 2_577 . . . ?
I5 Ag2 I4 Ag5 -9.36(13) . . . . ?
I1 Ag2 I4 Ag5 103.85(10) . . . . ?
Ag1 Ag2 I4 Ag5 166.18(9) 2_577 . . . ?
I2 Ag2 I4 Ag4 -153.95(9) 2_577 . . . ?
I5 Ag2 I4 Ag4 -26.59(7) . . . . ?
I1 Ag2 I4 Ag4 86.62(8) . . . . ?
Ag1 Ag2 I4 Ag4 148.96(10) 2_577 . . . ?
I2 Ag2 I5 Ag4 143.65(12) 2_577 . . . ?
I1 Ag2 I5 Ag4 -92.53(8) . . . . ?
I4 Ag2 I5 Ag4 26.85(8) . . . . ?
Ag1 Ag2 I5 Ag4 -148.07(12) 2_577 . . . ?
I6 Ag4 I5 Ag2 95.63(9) . . . . ?
I7 Ag4 I5 Ag2 -139.72(10) . . . . ?
I4 Ag4 I5 Ag2 -28.36(8) . . . . ?
I3 Ag3 I6 Ag4 -163.38(11) . . . . ?
I4 Ag3 I6 Ag4 -34.44(7) . . . . ?
I1 Ag3 I6 Ag4 88.63(7) . . . . ?
I3 Ag3 I6 Ag6 -103.87(10) . . . . ?
I4 Ag3 I6 Ag6 25.06(10) . . . . ?
I1 Ag3 I6 Ag6 148.13(7) . . . . ?
I5 Ag4 I6 Ag3 -95.31(9) . . . . ?
I7 Ag4 I6 Ag3 140.02(9) . . . . ?
I4 Ag4 I6 Ag3 32.81(7) . . . . ?
I5 Ag4 I6 Ag6 142.14(10) . . . . ?
I7 Ag4 I6 Ag6 17.48(8) . . . . ?
I4 Ag4 I6 Ag6 -89.73(7) . . . . ?
I10 Ag6 I6 Ag3 176.32(7) . . . . ?
I8 Ag6 I6 Ag3 44.54(10) . . . . ?
I7 Ag6 I6 Ag3 -71.98(9) . . . . ?
I10 Ag6 I6 Ag4 -128.04(8) . . . . ?
I8 Ag6 I6 Ag4 100.19(9) . . . . ?
I7 Ag6 I6 Ag4 -16.34(7) . . . . ?
I5 Ag4 I7 Ag7 122.01(11) . . . . ?
I6 Ag4 I7 Ag7 -105.10(12) . . . . ?
I4 Ag4 I7 Ag7 3.35(13) . . . . ?
I5 Ag4 I7 Ag5 142.82(9) . . . . ?
I6 Ag4 I7 Ag5 -84.28(8) . . . . ?
I4 Ag4 I7 Ag5 24.16(6) . . . . ?
I5 Ag4 I7 Ag6 -150.51(9) . . . . ?
I6 Ag4 I7 Ag6 -17.61(8) . . . . ?
I4 Ag4 I7 Ag6 90.84(7) . . . . ?
I9 Ag7 I7 Ag4 -4.89(15) . . . . ?
I12 Ag7 I7 Ag4 -138.01(10) . . . . ?
I11 Ag7 I7 Ag4 114.35(10) . . . . ?
I9 Ag7 I7 Ag5 -26.83(8) . . . . ?
I12 Ag7 I7 Ag5 -159.96(10) . . . . ?
I11 Ag7 I7 Ag5 92.41(8) . . . . ?
I9 Ag7 I7 Ag6 -81.71(10) . . . . ?
I12 Ag7 I7 Ag6 145.16(9) . . . . ?
I11 Ag7 I7 Ag6 37.53(8) . . . . ?
I8 Ag5 I7 Ag4 97.55(9) . . . . ?
I9 Ag5 I7 Ag4 -138.65(8) . . . . ?
I4 Ag5 I7 Ag4 -24.52(7) . . . . ?
I8 Ag5 I7 Ag7 -97.63(9) . . . . ?
I9 Ag5 I7 Ag7 26.17(8) . . . . ?
I4 Ag5 I7 Ag7 140.29(8) . . . . ?
I8 Ag5 I7 Ag6 18.59(8) . . . . ?
I9 Ag5 I7 Ag6 142.40(10) . . . . ?
I4 Ag5 I7 Ag6 -103.48(8) . . . . ?
I10 Ag6 I7 Ag4 124.60(10) . . . . ?
I8 Ag6 I7 Ag4 -98.55(9) . . . . ?
I6 Ag6 I7 Ag4 16.29(7) . . . . ?
I10 Ag6 I7 Ag7 -98.64(9) . . . . ?
I8 Ag6 I7 Ag7 38.21(10) . . . . ?
I6 Ag6 I7 Ag7 153.05(8) . . . . ?
I10 Ag6 I7 Ag5 -155.22(11) . . . . ?
I8 Ag6 I7 Ag5 -18.37(8) . . . . ?
I6 Ag6 I7 Ag5 96.48(8) . . . . ?
I9 Ag5 I8 Ag6 -137.40(11) . . . . ?
I4 Ag5 I8 Ag6 94.44(10) . . . . ?
I7 Ag5 I8 Ag6 -19.07(8) . . . . ?
I10 Ag6 I8 Ag5 148.22(12) . . . . ?
I7 Ag6 I8 Ag5 18.92(8) . . . . ?
I6 Ag6 I8 Ag5 -91.34(8) . . . . ?
I12 Ag7 I9 Ag5 153.34(12) . . . . ?
I11 Ag7 I9 Ag5 -75.30(9) . . . . ?
I7 Ag7 I9 Ag5 27.46(8) . . . . ?
I8 Ag5 I9 Ag7 95.16(10) . . . . ?
I4 Ag5 I9 Ag7 -134.29(9) . . . . ?
I7 Ag5 I9 Ag7 -26.95(8) . . . . ?
I8 Ag6 I10 Ag8 -89.94(11) . . . . ?
I7 Ag6 I10 Ag8 40.55(9) . . . . ?
I6 Ag6 I10 Ag8 147.32(8) . . . . ?
I13 Ag8 I10 Ag6 -88.04(12) . . . . ?
I11 Ag8 I10 Ag6 39.55(9) . . . . ?
I15 Ag8 I10 Ag6 151.89(8) . . . . ?
I14 Ag10 I11 Ag8 96.90(9) . . . . ?
I16 Ag10 I11 Ag8 -135.62(9) . . . . ?
I15 Ag10 I11 Ag8 -26.41(7) . . . . ?
I14 Ag10 I11 Ag7 2.73(13) . . . . ?
I16 Ag10 I11 Ag7 130.21(9) . . . . ?
I15 Ag10 I11 Ag7 -120.58(10) . . . . ?
I14 Ag10 I11 Ag9 27.05(8) . . . . ?
I16 Ag10 I11 Ag9 154.54(9) . . . . ?
I15 Ag10 I11 Ag9 -96.25(8) . . . . ?
I13 Ag8 I11 Ag10 -89.73(9) . . . . ?
I10 Ag8 I11 Ag10 138.96(9) . . . . ?
I15 Ag8 I11 Ag10 26.15(7) . . . . ?
I13 Ag8 I11 Ag7 33.66(11) . . . . ?
I10 Ag8 I11 Ag7 -97.65(9) . . . . ?
I15 Ag8 I11 Ag7 149.55(8) . . . . ?
I13 Ag8 I11 Ag9 -21.33(8) . . . . ?
I10 Ag8 I11 Ag9 -152.64(10) . . . . ?
I15 Ag8 I11 Ag9 94.56(8) . . . . ?
I9 Ag7 I11 Ag10 -138.57(10) . . . . ?
I12 Ag7 I11 Ag10 -0.04(13) . . . . ?
I7 Ag7 I11 Ag10 110.99(9) . . . . ?
I9 Ag7 I11 Ag8 147.07(9) . . . . ?
I12 Ag7 I11 Ag8 -74.40(10) . . . . ?
I7 Ag7 I11 Ag8 36.63(9) . . . . ?
I9 Ag7 I11 Ag9 -161.50(10) . . . . ?
I12 Ag7 I11 Ag9 -22.96(8) . . . . ?
I7 Ag7 I11 Ag9 88.07(7) . . . . ?
I12 Ag9 I11 Ag10 -136.58(9) . . . . ?
I13 Ag9 I11 Ag10 99.29(9) . . . . ?
I14 Ag9 I11 Ag10 -24.80(8) . . . . ?
I12 Ag9 I11 Ag8 144.82(9) . . . . ?
I13 Ag9 I11 Ag8 20.70(8) . . . . ?
I14 Ag9 I11 Ag8 -103.39(9) . . . . ?
I12 Ag9 I11 Ag7 22.56(8) . . . . ?
I13 Ag9 I11 Ag7 -101.57(9) . . . . ?
I14 Ag9 I11 Ag7 134.34(9) . . . . ?
I9 Ag7 I12 Ag9 160.52(11) . . . . ?
I11 Ag7 I12 Ag9 24.56(8) . . . . ?
I7 Ag7 I12 Ag9 -74.85(9) . . . . ?
I13 Ag9 I12 Ag7 95.30(10) . . . . ?
I14 Ag9 I12 Ag7 -134.53(9) . . . . ?
I11 Ag9 I12 Ag7 -22.95(8) . . . . ?
I12 Ag9 I13 Ag8 -135.00(11) . . . . ?
I14 Ag9 I13 Ag8 98.54(10) . . . . ?
I11 Ag9 I13 Ag8 -20.66(8) . . . . ?
I10 Ag8 I13 Ag9 145.76(12) . . . . ?
I11 Ag8 I13 Ag9 22.60(8) . . . . ?
I15 Ag8 I13 Ag9 -93.59(8) . . . . ?
I11 Ag10 I14 Ag9 -28.34(8) . . . . ?
I16 Ag10 I14 Ag9 -151.46(10) . . . . ?
I15 Ag10 I14 Ag9 93.98(8) . . . . ?
I12 Ag9 I14 Ag10 132.60(10) . . . . ?
I13 Ag9 I14 Ag10 -95.83(9) . . . . ?
I11 Ag9 I14 Ag10 24.53(8) . . . . ?
I17 Ag11 I15 Ag8 -156.78(12) . . . . ?
I16 Ag11 I15 Ag8 34.23(16) . . . . ?
I17 Ag11 I15 Ag10 -151.04(17) . . . . ?
I16 Ag11 I15 Ag10 39.98(9) . . . . ?
I13 Ag8 I15 Ag11 100.83(12) . . . . ?
I10 Ag8 I15 Ag11 -130.73(11) . . . . ?
I11 Ag8 I15 Ag11 -20.00(14) . . . . ?
I13 Ag8 I15 Ag10 95.36(9) . . . . ?
I10 Ag8 I15 Ag10 -136.19(9) . . . . ?
I11 Ag8 I15 Ag10 -25.46(7) . . . . ?
I14 Ag10 I15 Ag11 84.98(10) . . . . ?
I11 Ag10 I15 Ag11 -148.57(10) . . . . ?
I16 Ag10 I15 Ag11 -36.97(9) . . . . ?
I14 Ag10 I15 Ag8 -100.11(8) . . . . ?
I11 Ag10 I15 Ag8 26.34(7) . . . . ?
I16 Ag10 I15 Ag8 137.94(9) . . . . ?
I17 Ag11 I16 Ag10 150.50(17) . . . . ?
I15 Ag11 I16 Ag10 -40.89(9) . . . . ?
I14 Ag10 I16 Ag11 -82.07(10) . . . . ?
I11 Ag10 I16 Ag11 149.95(10) . . . . ?
I15 Ag10 I16 Ag11 36.79(8) . . . . ?
O3 Ce1 O1 S1 104.4(17) . . . . ?
O2 Ce1 O1 S1 168.0(18) . . . . ?
O5 Ce1 O1 S1 0(2) . . . . ?
O8 Ce1 O1 S1 -117.3(18) . . . . ?
O6 Ce1 O1 S1 37.0(16) . . . . ?
O7 Ce1 O1 S1 -40.9(16) . . . . ?
O4 Ce1 O1 S1 -150.6(12) . . . . ?
O3 Ce1 O2 S2B 117(3) . . . . ?
O1 Ce1 O2 S2B -5(2) . . . . ?
O5 Ce1 O2 S2B 161(2) . . . . ?
O8 Ce1 O2 S2B -87(2) . . . . ?
O6 Ce1 O2 S2B 55(3) . . . . ?
O7 Ce1 O2 S2B -52(3) . . . . ?
O4 Ce1 O2 S2B -164(3) . . . . ?
O3 Ce1 O2 S2A 12(4) . . . . ?
O1 Ce1 O2 S2A -110(4) . . . . ?
O5 Ce1 O2 S2A 56(4) . . . . ?
O8 Ce1 O2 S2A 168(4) . . . . ?
O6 Ce1 O2 S2A -50(4) . . . . ?
O7 Ce1 O2 S2A -156(3) . . . . ?
O4 Ce1 O2 S2A 91(4) . . . . ?
O2 Ce1 O3 S3A 110(6) . . . . ?
O1 Ce1 O3 S3A 174(6) . . . . ?
O5 Ce1 O3 S3A -47(6) . . . . ?
O8 Ce1 O3 S3A 75(6) . . . . ?
O6 Ce1 O3 S3A -120(6) . . . . ?
O7 Ce1 O3 S3A -84(6) . . . . ?
O4 Ce1 O3 S3A 27(6) . . . . ?
O2 Ce1 O3 S3B -144(3) . . . . ?
O1 Ce1 O3 S3B -79(3) . . . . ?
O5 Ce1 O3 S3B 59(3) . . . . ?
O8 Ce1 O3 S3B -178(2) . . . . ?
O6 Ce1 O3 S3B -13(3) . . . . ?
O7 Ce1 O3 S3B 23(4) . . . . ?
O4 Ce1 O3 S3B 133(3) . . . . ?
O3 Ce1 O4 S4A 140(2) . . . . ?
O2 Ce1 O4 S4A 65(2) . . . . ?
O1 Ce1 O4 S4A 24(3) . . . . ?
O5 Ce1 O4 S4A -135(2) . . . . ?
O8 Ce1 O4 S4A -9(2) . . . . ?
O6 Ce1 O4 S4A -166(2) . . . . ?
O7 Ce1 O4 S4A -75(2) . . . . ?
O3 Ce1 O4 S4B 60.7(14) . . . . ?
O2 Ce1 O4 S4B -14.5(13) . . . . ?
O1 Ce1 O4 S4B -54.9(19) . . . . ?
O5 Ce1 O4 S4B 145.6(14) . . . . ?
O8 Ce1 O4 S4B -88.7(14) . . . . ?
O6 Ce1 O4 S4B 114.2(14) . . . . ?
O7 Ce1 O4 S4B -154.2(12) . . . . ?
O3 Ce1 O5 S5B -4(2) . . . . ?
O2 Ce1 O5 S5B -47(3) . . . . ?
O1 Ce1 O5 S5B 113(2) . . . . ?
O8 Ce1 O5 S5B -145(2) . . . . ?
O6 Ce1 O5 S5B 75(2) . . . . ?
O7 Ce1 O5 S5B 155(2) . . . . ?
O4 Ce1 O5 S5B -84(2) . . . . ?
O3 Ce1 O5 S5A 119(3) . . . . ?
O2 Ce1 O5 S5A 77(3) . . . . ?
O1 Ce1 O5 S5A -124(3) . . . . ?
O8 Ce1 O5 S5A -22(3) . . . . ?
O6 Ce1 O5 S5A -162(3) . . . . ?
O7 Ce1 O5 S5A -82(3) . . . . ?
O4 Ce1 O5 S5A 40(3) . . . . ?
O3 Ce1 O6 S6B -131(5) . . . . ?
O2 Ce1 O6 S6B -71(5) . . . . ?
O1 Ce1 O6 S6B -11(5) . . . . ?
O5 Ce1 O6 S6B 143(5) . . . . ?
O8 Ce1 O6 S6B 33(5) . . . . ?
O7 Ce1 O6 S6B 69(5) . . . . ?
O4 Ce1 O6 S6B 175(4) . . . . ?
O3 Ce1 O6 S6A 105(2) . . . . ?
O2 Ce1 O6 S6A 165(2) . . . . ?
O1 Ce1 O6 S6A -135(3) . . . . ?
O5 Ce1 O6 S6A 19(2) . . . . ?
O8 Ce1 O6 S6A -91(3) . . . . ?
O7 Ce1 O6 S6A -55(2) . . . . ?
O4 Ce1 O6 S6A 51(3) . . . . ?
O3 Ce1 O7 S7B 51(3) . . . . ?
O2 Ce1 O7 S7B -149.8(19) . . . . ?
O1 Ce1 O7 S7B 164(2) . . . . ?
O5 Ce1 O7 S7B 12(2) . . . . ?
O8 Ce1 O7 S7B -115(2) . . . . ?
O6 Ce1 O7 S7B 87(2) . . . . ?
O4 Ce1 O7 S7B -49(2) . . . . ?
O3 Ce1 O7 S7A 168.8(19) . . . . ?
O2 Ce1 O7 S7A -32(3) . . . . ?
O1 Ce1 O7 S7A -78(2) . . . . ?
O5 Ce1 O7 S7A 130(2) . . . . ?
O8 Ce1 O7 S7A 3(2) . . . . ?
O6 Ce1 O7 S7A -155(2) . . . . ?
O4 Ce1 O7 S7A 69(2) . . . . ?
O3 Ce1 O8 S8B 47(5) . . . . ?
O2 Ce1 O8 S8B 12(4) . . . . ?
O1 Ce1 O8 S8B -66(4) . . . . ?
O5 Ce1 O8 S8B 157(4) . . . . ?
O6 Ce1 O8 S8B -109(4) . . . . ?
O7 Ce1 O8 S8B -145(4) . . . . ?
O4 Ce1 O8 S8B 96(4) . . . . ?
O3 Ce1 O8 S8A 123(2) . . . . ?
O2 Ce1 O8 S8A 88(3) . . . . ?
O1 Ce1 O8 S8A 10(2) . . . . ?
O5 Ce1 O8 S8A -127(2) . . . . ?
O6 Ce1 O8 S8A -33(3) . . . . ?
O7 Ce1 O8 S8A -69(2) . . . . ?
O4 Ce1 O8 S8A 172(3) . . . . ?
O16 Ce2 O9 S9B 8.8(17) . . . . ?
O14A Ce2 O9 S9B -51(2) . . . . ?
O13B Ce2 O9 S9B -96(3) . . . . ?
O14B Ce2 O9 S9B -49(2) . . . . ?
O15 Ce2 O9 S9B 97.7(18) . . . . ?
O11 Ce2 O9 S9B 164.8(17) . . . . ?
O12 Ce2 O9 S9B 56(2) . . . . ?
O13A Ce2 O9 S9B -135.1(19) . . . . ?
O10 Ce2 O9 S9B -122.3(19) . . . . ?
O16 Ce2 O9 S9A 107(3) . . . . ?
O14A Ce2 O9 S9A 47(3) . . . . ?
O13B Ce2 O9 S9A 2(4) . . . . ?
O14B Ce2 O9 S9A 49(3) . . . . ?
O15 Ce2 O9 S9A -164(3) . . . . ?
O11 Ce2 O9 S9A -97(3) . . . . ?
O12 Ce2 O9 S9A 155(3) . . . . ?
O13A Ce2 O9 S9A -37(4) . . . . ?
O10 Ce2 O9 S9A -24(3) . . . . ?
O16 Ce2 O10 S10A 110(3) . . . . ?
O14A Ce2 O10 S10A 60(4) . . . . ?
O13B Ce2 O10 S10A -4(3) . . . . ?
O14B Ce2 O10 S10A 42(3) . . . . ?
O9 Ce2 O10 S10A 164(4) . . . . ?
O15 Ce2 O10 S10A -144(3) . . . . ?
O11 Ce2 O10 S10A -94(3) . . . . ?
O12 Ce2 O10 S10A -14(4) . . . . ?
O13A Ce2 O10 S10A -22(3) . . . . ?
O16 Ce2 O10 S10B -127.0(16) . . . . ?
O14A Ce2 O10 S10B -177(2) . . . . ?
O13B Ce2 O10 S10B 119.1(18) . . . . ?
O14B Ce2 O10 S10B 164.7(19) . . . . ?
O9 Ce2 O10 S10B -72.7(17) . . . . ?
O15 Ce2 O10 S10B -21(2) . . . . ?
O11 Ce2 O10 S10B 29.3(16) . . . . ?
O12 Ce2 O10 S10B 109.4(19) . . . . ?
O13A Ce2 O10 S10B 101.1(17) . . . . ?
O16 Ce2 O11 S11B -149.3(17) . . . . ?
O14A Ce2 O11 S11B 40(3) . . . . ?
O13B Ce2 O11 S11B -1.0(18) . . . . ?
O14B Ce2 O11 S11B 12(2) . . . . ?
O9 Ce2 O11 S11B 151.8(17) . . . . ?
O15 Ce2 O11 S11B -138.2(19) . . . . ?
O12 Ce2 O11 S11B -71.2(17) . . . . ?
O13A Ce2 O11 S11B -2.1(18) . . . . ?
O10 Ce2 O11 S11B 82.5(17) . . . . ?
O16 Ce2 O11 S11A -48(3) . . . . ?
O14A Ce2 O11 S11A 140(2) . . . . ?
O13B Ce2 O11 S11A 100(2) . . . . ?
O14B Ce2 O11 S11A 113(2) . . . . ?
O9 Ce2 O11 S11A -107(2) . . . . ?
O15 Ce2 O11 S11A -37.3(19) . . . . ?
O12 Ce2 O11 S11A 30(2) . . . . ?
O13A Ce2 O11 S11A 99(2) . . . . ?
O10 Ce2 O11 S11A -177(2) . . . . ?
O16 Ce2 O12 S12 129.5(15) . . . . ?
O14A Ce2 O12 S12 -168.0(18) . . . . ?
O13B Ce2 O12 S12 -109.0(16) . . . . ?
O14B Ce2 O12 S12 -155.1(18) . . . . ?
O9 Ce2 O12 S12 83.9(16) . . . . ?
O15 Ce2 O12 S12 42.0(14) . . . . ?
O11 Ce2 O12 S12 -23.9(14) . . . . ?
O13A Ce2 O12 S12 -90.3(15) . . . . ?
O10 Ce2 O12 S12 -98.8(19) . . . . ?
O16 Ce2 O13A O13B -22(4) . . . . ?
O14A Ce2 O13A O13B 22(4) . . . . ?
O14B Ce2 O13A O13B 9(4) . . . . ?
O9 Ce2 O13A O13B 110(4) . . . . ?
O15 Ce2 O13A O13B -133(4) . . . . ?
O11 Ce2 O13A O13B 177(4) . . . . ?
O12 Ce2 O13A O13B -78(4) . . . . ?
O10 Ce2 O13A O13B 98(4) . . . . ?
O16 Ce2 O13A S13A -52(4) . . . . ?
O14A Ce2 O13A S13A -8(3) . . . . ?
O13B Ce2 O13A S13A -30(3) . . . . ?
O14B Ce2 O13A S13A -21(3) . . . . ?
O9 Ce2 O13A S13A 81(4) . . . . ?
O15 Ce2 O13A S13A -163(3) . . . . ?
O11 Ce2 O13A S13A 147(4) . . . . ?
O12 Ce2 O13A S13A -108(3) . . . . ?
O10 Ce2 O13A S13A 69(3) . . . . ?
O16 Ce2 O14A O14B 111(6) . . . . ?
O13B Ce2 O14A O14B -27(5) . . . . ?
O9 Ce2 O14A O14B 175(6) . . . . ?
O15 Ce2 O14A O14B 103(6) . . . . ?
O11 Ce2 O14A O14B -73(6) . . . . ?
O12 Ce2 O14A O14B 38(6) . . . . ?
O13A Ce2 O14A O14B -34(6) . . . . ?
O10 Ce2 O14A O14B -116(6) . . . . ?
O16 Ce2 O14A S14A -94(8) . . . . ?
O13B Ce2 O14A S14A 128(8) . . . . ?
O14B Ce2 O14A S14A 154(12) . . . . ?
O9 Ce2 O14A S14A -31(8) . . . . ?
O15 Ce2 O14A S14A -103(8) . . . . ?
O11 Ce2 O14A S14A 81(8) . . . . ?
O12 Ce2 O14A S14A -167(8) . . . . ?
O13A Ce2 O14A S14A 121(8) . . . . ?
O10 Ce2 O14A S14A 38(7) . . . . ?
S13A O13A O13B S13B -54.9(13) . . . . ?
Ce2 O13A O13B S13B 144.9(14) . . . . ?
S13A O13A O13B Ce2 160.2(14) . . . . ?
O16 Ce2 O13B O13A 162(4) . . . . ?
O14A Ce2 O13B O13A -156(4) . . . . ?
O14B Ce2 O13B O13A -169(5) . . . . ?
O9 Ce2 O13B O13A -104(4) . . . . ?
O15 Ce2 O13B O13A 57(4) . . . . ?
O11 Ce2 O13B O13A -3(4) . . . . ?
O12 Ce2 O13B O13A 96(4) . . . . ?
O10 Ce2 O13B O13A -79(4) . . . . ?
O16 Ce2 O13B S13B 119(3) . . . . ?
O14A Ce2 O13B S13B 161(4) . . . . ?
O14B Ce2 O13B S13B 148(4) . . . . ?
O9 Ce2 O13B S13B -147(2) . . . . ?
O15 Ce2 O13B S13B 14(4) . . . . ?
O11 Ce2 O13B S13B -46(3) . . . . ?
O12 Ce2 O13B S13B 53(3) . . . . ?
O13A Ce2 O13B S13B -43(3) . . . . ?
O10 Ce2 O13B S13B -123(3) . . . . ?
S14A O14A O14B S14B 6(6) . . . . ?
Ce2 O14A O14B S14B 173(2) . . . . ?
S14A O14A O14B Ce2 -167(6) . . . . ?
O16 Ce2 O14B O14A -62(6) . . . . ?
O13B Ce2 O14B O14A 146(7) . . . . ?
O9 Ce2 O14B O14A -6(6) . . . . ?
O15 Ce2 O14B O14A -111(5) . . . . ?
O11 Ce2 O14B O14A 127(5) . . . . ?
O12 Ce2 O14B O14A -141(6) . . . . ?
O13A Ce2 O14B O14A 142(6) . . . . ?
O10 Ce2 O14B O14A 60(6) . . . . ?
O16 Ce2 O14B S14B -77(7) . . . . ?
O14A Ce2 O14B S14B -16(5) . . . . ?
O13B Ce2 O14B S14B 130(8) . . . . ?
O9 Ce2 O14B S14B -21(8) . . . . ?
O15 Ce2 O14B S14B -126(6) . . . . ?
O11 Ce2 O14B S14B 111(7) . . . . ?
O12 Ce2 O14B S14B -157(8) . . . . ?
O13A Ce2 O14B S14B 126(8) . . . . ?
O10 Ce2 O14B S14B 45(7) . . . . ?
O16 Ce2 O15 S15 98(3) . . . . ?
O14A Ce2 O15 S15 106(3) . . . . ?
O13B Ce2 O15 S15 -145(2) . . . . ?
O14B Ce2 O15 S15 145(3) . . . . ?
O9 Ce2 O15 S15 26(2) . . . . ?
O11 Ce2 O15 S15 -77(2) . . . . ?
O12 Ce2 O15 S15 177(3) . . . . ?
O13A Ce2 O15 S15 -127(2) . . . . ?
O10 Ce2 O15 S15 -24(3) . . . . ?
O14A Ce2 O16 S16A 178(4) . . . . ?
O13B Ce2 O16 S16A -140(3) . . . . ?
O14B Ce2 O16 S16A -161(4) . . . . ?
O9 Ce2 O16 S16A 69(3) . . . . ?
O15 Ce2 O16 S16A -6(3) . . . . ?
O11 Ce2 O16 S16A 4(4) . . . . ?
O12 Ce2 O16 S16A -79(3) . . . . ?
O13A Ce2 O16 S16A -133(3) . . . . ?
O10 Ce2 O16 S16A 124(3) . . . . ?
O14A Ce2 O16 S16B -64(3) . . . . ?
O13B Ce2 O16 S16B -22(3) . . . . ?
O14B Ce2 O16 S16B -43(2) . . . . ?
O9 Ce2 O16 S16B -173(3) . . . . ?
O15 Ce2 O16 S16B 112(2) . . . . ?
O11 Ce2 O16 S16B 122(2) . . . . ?
O12 Ce2 O16 S16B 39(2) . . . . ?
O13A Ce2 O16 S16B -15(3) . . . . ?
O10 Ce2 O16 S16B -118(2) . . . . ?
Ce1 O1 S1 C2 120.0(17) . . . . ?
Ce1 O1 S1 C1 -137.1(16) . . . . ?
S2B O2 S2A C4 55.0(15) . . . . ?
Ce1 O2 S2A C4 179(100) . . . . ?
S2B O2 S2A C3 -52.0(14) . . . . ?
Ce1 O2 S2A C3 72(4) . . . . ?
S2A O2 S2B C3 58.6(14) . . . . ?
Ce1 O2 S2B C3 -94(2) . . . . ?
S2A O2 S2B C4 -54.0(15) . . . . ?
Ce1 O2 S2B C4 153(2) . . . . ?
S3B O3 S3A C5 -53.7(19) . . . . ?
Ce1 O3 S3A C5 69(6) . . . . ?
S3B O3 S3A C6 61.2(16) . . . . ?
Ce1 O3 S3A C6 -176(5) . . . . ?
S3A O3 S3B C6 -57.5(16) . . . . ?
Ce1 O3 S3B C6 144(2) . . . . ?
S3A O3 S3B C5 45.6(17) . . . . ?
Ce1 O3 S3B C5 -113(3) . . . . ?
S4B O4 S4A C8 56.3(11) . . . . ?
Ce1 O4 S4A C8 -45(3) . . . . ?
S4B O4 S4A C7 -58.5(11) . . . . ?
Ce1 O4 S4A C7 -160(2) . . . . ?
S4A O4 S4B C8 -54.7(11) . . . . ?
Ce1 O4 S4B C8 90.6(14) . . . . ?
S4A O4 S4B C7 57.6(11) . . . . ?
Ce1 O4 S4B C7 -157.1(12) . . . . ?
S5B O5 S5A C10 -51.6(13) . . . . ?
Ce1 O5 S5A C10 167(3) . . . . ?
S5B O5 S5A C9 50.3(13) . . . . ?
Ce1 O5 S5A C9 -91(3) . . . . ?
S5A O5 S5B C9 -52.5(13) . . . . ?
Ce1 O5 S5B C9 101(2) . . . . ?
S5A O5 S5B C10 52.7(13) . . . . ?
Ce1 O5 S5B C10 -153.5(18) . . . . ?
S6B O6 S6A C11 -50.3(15) . . . . ?
Ce1 O6 S6A C11 109(2) . . . . ?
S6B O6 S6A C12 48.3(16) . . . . ?
Ce1 O6 S6A C12 -152(2) . . . . ?
S6A O6 S6B C12 -49.7(16) . . . . ?
Ce1 O6 S6B C12 172(4) . . . . ?
S6A O6 S6B C11 50.2(15) . . . . ?
Ce1 O6 S6B C11 -88(5) . . . . ?
S7B O7 S7A C13 51.7(12) . . . . ?
Ce1 O7 S7A C13 -94(2) . . . . ?
S7B O7 S7A C14 -44.9(14) . . . . ?
Ce1 O7 S7A C14 169.2(17) . . . . ?
S7A O7 S7B C14 46.2(13) . . . . ?
Ce1 O7 S7B C14 -173.1(18) . . . . ?
S7A O7 S7B C13 -49.0(12) . . . . ?
Ce1 O7 S7B C13 92(2) . . . . ?
S8B O8 S8A C15 39(2) . . . . ?
Ce1 O8 S8A C15 -113(2) . . . . ?
S8B O8 S8A C16 -58.0(16) . . . . ?
Ce1 O8 S8A C16 150(2) . . . . ?
S8A O8 S8B C15 -52(2) . . . . ?
Ce1 O8 S8B C15 45(6) . . . . ?
S8A O8 S8B C16 68.2(16) . . . . ?
Ce1 O8 S8B C16 165(4) . . . . ?
S9B O9 S9A C17 -51.4(17) . . . . ?
Ce2 O9 S9A C17 -175(3) . . . . ?
S9B O9 S9A C18 48.8(13) . . . . ?
Ce2 O9 S9A C18 -75(3) . . . . ?
S9A O9 S9B C18 -50.1(13) . . . . ?
Ce2 O9 S9B C18 89.6(17) . . . . ?
S9A O9 S9B C17 48.5(13) . . . . ?
Ce2 O9 S9B C17 -171.8(14) . . . . ?
S10B O10 S10A C19 -53.9(12) . . . . ?
Ce2 O10 S10A C19 82(3) . . . . ?
S10B O10 S10A C20 51.0(12) . . . . ?
Ce2 O10 S10A C20 -173(3) . . . . ?
S10A O10 S10B C20 -52.7(12) . . . . ?
Ce2 O10 S10B C20 150.2(15) . . . . ?
S10A O10 S10B C19 51.7(11) . . . . ?
Ce2 O10 S10B C19 -105.4(16) . . . . ?
S11B O11 S11A C21 -51.8(12) . . . . ?
Ce2 O11 S11A C21 -178.6(17) . . . . ?
S11B O11 S11A C22 49.8(12) . . . . ?
Ce2 O11 S11A C22 -77(2) . . . . ?
S11A O11 S11B C22 -50.3(11) . . . . ?
Ce2 O11 S11B C22 90.6(16) . . . . ?
S11A O11 S11B C21 50.5(11) . . . . ?
Ce2 O11 S11B C21 -168.6(14) . . . . ?
Ce2 O12 S12 C23 153.8(14) . . . . ?
Ce2 O12 S12 C24 -103.8(15) . . . . ?
O13B O13A S13A C25 161(4) . . . . ?
Ce2 O13A S13A C25 -167(3) . . . . ?
O13B O13A S13A C26 65(4) . . . . ?
Ce2 O13A S13A C26 96(3) . . . . ?
O13A O13B S13B C26 165(3) . . . . ?
Ce2 O13B S13B C26 -144(3) . . . . ?
O13A O13B S13B C25 67(4) . . . . ?
Ce2 O13B S13B C25 118(2) . . . . ?
O14B O14A S14A C28A 52(9) . . . . ?
Ce2 O14A S14A C28A -98(8) . . . . ?
O14B O14A S14A C27 -59(9) . . . . ?
Ce2 O14A S14A C27 152(7) . . . . ?
O14A O14B S14B C27 64(6) . . . . ?
Ce2 O14B S14B C27 80(8) . . . . ?
O14A O14B S14B C28B -31(7) . . . . ?
Ce2 O14B S14B C28B -15(8) . . . . ?
Ce2 O15 S15 C30 -100(3) . . . . ?
Ce2 O15 S15 C29 156(2) . . . . ?
S16B O16 S16A C32 -53.6(13) . . . . ?
Ce2 O16 S16A C32 86(3) . . . . ?
S16B O16 S16A C31 53.0(14) . . . . ?
Ce2 O16 S16A C31 -167(3) . . . . ?
S16A O16 S16B C31 -52.1(14) . . . . ?
Ce2 O16 S16B C31 159(2) . . . . ?
S16A O16 S16B C32 48.8(13) . . . . ?
Ce2 O16 S16B C32 -100(2) . . . . ?
O2 S2B C3 S2A -55.4(15) . . . . ?
C4 S2B C3 S2A 63.5(11) . . . . ?
O2 S2A C3 S2B 49.5(15) . . . . ?
C4 S2A C3 S2B -65.1(13) . . . . ?
O2 S2A C4 S2B -50.1(15) . . . . ?
C3 S2A C4 S2B 61.6(11) . . . . ?
O2 S2B C4 S2A 53.3(17) . . . . ?
C3 S2B C4 S2A -66.8(13) . . . . ?
O3 S3A C5 S3B 52(2) . . . . ?
C6 S3A C5 S3B -69.3(12) . . . . ?
O3 S3B C5 S3A -43.3(16) . . . . ?
C6 S3B C5 S3A 67.3(12) . . . . ?
O3 S3A C6 S3B -60.5(18) . . . . ?
C5 S3A C6 S3B 70.8(12) . . . . ?
O3 S3B C6 S3A 53.0(17) . . . . ?
C5 S3B C6 S3A -65.7(12) . . . . ?
O4 S4A C7 S4B 56.1(10) . . . . ?
C8 S4A C7 S4B -58.1(11) . . . . ?
O4 S4B C7 S4A -54.2(10) . . . . ?
C8 S4B C7 S4A 56.8(11) . . . . ?
O4 S4A C8 S4B -53.9(11) . . . . ?
C7 S4A C8 S4B 57.9(11) . . . . ?
O4 S4B C8 S4A 51.9(10) . . . . ?
C7 S4B C8 S4A -57.0(11) . . . . ?
O5 S5B C9 S5A 50.4(13) . . . . ?
C10 S5B C9 S5A -64.2(11) . . . . ?
O5 S5A C9 S5B -45.8(11) . . . . ?
C10 S5A C9 S5B 64.6(10) . . . . ?
O5 S5A C10 S5B 46.6(12) . . . . ?
C9 S5A C10 S5B -64.0(11) . . . . ?
O5 S5B C10 S5A -50.9(13) . . . . ?
C9 S5B C10 S5A 64.8(11) . . . . ?
O6 S6A C11 S6B 45.2(13) . . . . ?
C12 S6A C11 S6B -66.6(11) . . . . ?
O6 S6B C11 S6A -49.1(14) . . . . ?
C12 S6B C11 S6A 66.3(11) . . . . ?
O6 S6A C12 S6B -43.9(14) . . . . ?
C11 S6A C12 S6B 67.3(11) . . . . ?
O6 S6B C12 S6A 48.2(16) . . . . ?
C11 S6B C12 S6A -65.5(11) . . . . ?
O7 S7A C13 S7B -46.5(11) . . . . ?
C14 S7A C13 S7B 63.1(9) . . . . ?
O7 S7B C13 S7A 45.8(12) . . . . ?
C14 S7B C13 S7A -64.9(10) . . . . ?
O7 S7B C14 S7A -42.3(13) . . . . ?
C13 S7B C14 S7A 62.6(9) . . . . ?
O7 S7A C14 S7B 41.8(14) . . . . ?
C13 S7A C14 S7B -65.8(10) . . . . ?
O8 S8B C15 S8A 53(3) . . . . ?
C16 S8B C15 S8A -75.0(13) . . . . ?
O8 S8A C15 S8B -35.4(18) . . . . ?
C16 S8A C15 S8B 70.4(12) . . . . ?
O8 S8B C16 S8A -69.7(17) . . . . ?
C15 S8B C16 S8A 73.7(12) . . . . ?
O8 S8A C16 S8B 51.3(15) . . . . ?
C15 S8A C16 S8B -71.4(13) . . . . ?
O9 S9A C17 S9B 46.1(15) . . . . ?
C18 S9A C17 S9B -63.3(10) . . . . ?
O9 S9B C17 S9A -46.9(13) . . . . ?
C18 S9B C17 S9A 63.9(11) . . . . ?
O9 S9B C18 S9A 47.2(13) . . . . ?
C17 S9B C18 S9A -61.8(11) . . . . ?
O9 S9A C18 S9B -45.1(11) . . . . ?
C17 S9A C18 S9B 65.9(10) . . . . ?
O10 S10A C19 S10B 50.7(11) . . . . ?
C20 S10A C19 S10B -50.6(11) . . . . ?
O10 S10B C19 S10A -47.5(10) . . . . ?
C20 S10B C19 S10A 52.4(13) . . . . ?
O10 S10B C20 S10A 47.0(11) . . . . ?
C19 S10B C20 S10A -50.8(12) . . . . ?
O10 S10A C20 S10B -49.5(12) . . . . ?
C19 S10A C20 S10B 52.2(12) . . . . ?
O11 S11A C21 S11B 45.9(10) . . . . ?
C22 S11A C21 S11B -64.5(9) . . . . ?
O11 S11B C21 S11A -49.4(11) . . . . ?
C22 S11B C21 S11A 63.2(9) . . . . ?
O11 S11A C22 S11B -44.7(10) . . . . ?
C21 S11A C22 S11B 65.6(9) . . . . ?
O11 S11B C22 S11A 48.7(11) . . . . ?
C21 S11B C22 S11A -62.4(9) . . . . ?
O13A S13A C25 S13B -47.3(16) . . . . ?
C26 S13A C25 S13B 61.7(9) . . . . ?
O13B S13B C25 S13A 31.1(16) . . . . ?
C26 S13B C25 S13A -69.5(10) . . . . ?
O13B S13B C26 S13A -57.7(16) . . . . ?
C25 S13B C26 S13A 61.4(9) . . . . ?
O13A S13A C26 S13B 29.8(14) . . . . ?
C25 S13A C26 S13B -70.0(10) . . . . ?
O14B S14B C27 S14A -81(3) . . . . ?
C28B S14B C27 S14A 20(2) . . . . ?
O14A S14A C27 S14B 52(2) . . . . ?
C28A S14A C27 S14B -66(3) . . . . ?
O16 S16B C31 S16A 46.7(14) . . . . ?
C32 S16B C31 S16A -57.1(12) . . . . ?
O16 S16A C31 S16B -52.9(16) . . . . ?
C32 S16A C31 S16B 60.5(12) . . . . ?
O16 S16A C32 S16B 52.3(14) . . . . ?
C31 S16A C32 S16B -59.0(11) . . . . ?
O16 S16B C32 S16A -45.2(13) . . . . ?
C31 S16B C32 S16A 59.2(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         2.730
_refine_diff_density_min         -1.228
_refine_diff_density_rms         0.270
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 1580607'
_audit_update_record             
;
2017-10-18 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H48 Ag7 I10 O8 S8 Tb'
_chemical_formula_sum            'C16 H48 Ag7 I10 O8 S8 Tb'
_chemical_formula_weight         2808.03

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   'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

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                   12.436(3)
_cell_length_b                   23.390(5)
_cell_length_c                   21.007(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.67(3)
_cell_angle_gamma                90.00
_cell_volume                     6024(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    253(2)
_cell_measurement_reflns_used    14247
_cell_measurement_theta_min      3.0770
_cell_measurement_theta_max      25.35


_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.096
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5040
_exptl_absorpt_coefficient_mu    8.815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1192
_exptl_absorpt_correction_T_max  0.4726
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      253(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  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 14.63
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            58481
_diffrn_reflns_av_R_equivalents  0.0647
_diffrn_reflns_av_sigmaI/netI    0.0529
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.08
_diffrn_reflns_theta_max         25.35
_reflns_number_total             10990
_reflns_number_gt                8621
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0554P)²+96.2507P] 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         10990
_refine_ls_number_parameters     488
_refine_ls_number_restraints     25
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0403
_refine_ls_wR_factor_ref         0.1097
_refine_ls_wR_factor_gt          0.0895
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_restrained_S_all      1.150
_refine_ls_shift/su_max          0.002
_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 1.09214(18) 0.34434(10) 0.87726(11) 0.0792(6) Uani 1 1 d . . .
Ag2 Ag 0.8394(2) 0.37549(11) 0.89873(12) 0.0845(7) Uani 1 1 d . . .
Ag3 Ag 1.14342(19) 0.27178(9) 1.00478(11) 0.0809(6) Uani 1 1 d . . .
Ag4 Ag 0.8838(2) 0.29133(12) 1.03796(12) 0.0816(8) Uani 1 1 d . . .
Ag5 Ag 0.9622(2) 0.42778(11) 1.02559(12) 0.0844(7) Uani 1 1 d . . .
Ag6 Ag 0.8848(2) 0.37693(12) 0.71528(15) 0.0921(9) Uani 1 1 d . . .
Ag7 Ag 1.0110(2) 0.34848(11) 0.61216(11) 0.0905(7) Uani 1 1 d . . .
I1 I 0.93412(13) 0.26339(7) 0.91235(8) 0.0680(4) Uani 1 1 d . . .
I2 I 1.02214(15) 0.46000(7) 0.90508(9) 0.0714(5) Uani 1 1 d . . .
I3 I 1.30191(15) 0.32758(9) 0.94807(10) 0.0828(6) Uani 1 1 d . . .
I4 I 1.07182(14) 0.30628(8) 0.74804(8) 0.0729(5) Uani 1 1 d . . .
I5 I 0.73682(15) 0.39242(8) 1.01019(9) 0.0727(5) Uani 1 1 d . . .
I6 I 0.71209(15) 0.38359(9) 0.77842(9) 0.0812(6) Uani 1 1 d . . .
I7 I 1.07815(14) 0.34237(8) 1.10355(8) 0.0692(5) Uani 1 1 d . . .
I8 I 0.94716(17) 0.46516(8) 0.63707(11) 0.0778(6) Uani 1 1 d . . .
I9 I 0.78955(14) 0.30182(8) 0.58564(9) 0.0758(5) Uani 1 1 d . . .
I10 I 1.18048(14) 0.34026(7) 0.54413(9) 0.0713(5) Uani 1 1 d . . .
Tb1 Tb 0.45775(8) 0.58960(4) 0.71543(5) 0.0607(3) Uani 1 1 d . . .
O1 O 0.4065(13) 0.5033(7) 0.7595(8) 0.080(5) Uani 1 1 d D . .
O2 O 0.3276(14) 0.6147(8) 0.7763(11) 0.076(7) Uani 1 1 d D . .
O3 O 0.2880(17) 0.5682(9) 0.6505(9) 0.086(7) Uani 1 1 d . . .
O4 O 0.4204(13) 0.6584(7) 0.6349(7) 0.066(5) Uani 1 1 d . . .
O5 O 0.5119(13) 0.6793(7) 0.7667(8) 0.069(5) Uani 1 1 d . . .
O6 O 0.5820(13) 0.5663(7) 0.8098(8) 0.068(5) Uani 1 1 d . . .
O7 O 0.4902(15) 0.5220(8) 0.6405(10) 0.080(7) Uani 1 1 d D . .
O8 O 0.6314(12) 0.6070(8) 0.6856(8) 0.072(5) Uani 1 1 d . . .
S1 S 0.3283(10) 0.4566(5) 0.7433(6) 0.094(4) Uani 1 1 d D . .
S2A S 0.2560(7) 0.6574(4) 0.7992(4) 0.090(3) Uani 0.85 1 d PD . .
S2B S 0.226(2) 0.6423(13) 0.7389(12) 0.083(18) Uani 0.15 1 d PD . .
S3 S 0.2540(6) 0.5684(3) 0.5774(4) 0.076(2) Uani 1 1 d D . .
S4 S 0.4955(5) 0.7046(3) 0.6160(3) 0.0612(16) Uani 1 1 d D . .
S5 S 0.5879(7) 0.7006(4) 0.8228(4) 0.097(3) Uani 1 1 d D . .
S6 S 0.5906(6) 0.5237(3) 0.8634(4) 0.079(2) Uani 1 1 d D . .
S7A S 0.5829(9) 0.4832(4) 0.6393(5) 0.083(3) Uani 0.78 1 d PD . .
S7B S 0.516(2) 0.4828(9) 0.5928(13) 0.070(9) Uani 0.22 1 d PD . .
S8A S 0.7363(7) 0.6261(4) 0.7250(5) 0.082(3) Uani 0.78 1 d PD . .
S8B S 0.738(2) 0.5930(12) 0.6746(12) 0.080(10) Uani 0.22 1 d PD . .
C1 C 0.372(4) 0.4000(15) 0.796(2) 0.091(3) Uani 1 1 d D . .
H1A H 0.4494 0.3963 0.8009 0.130 Uiso 1 1 calc R . .
H1B H 0.3377 0.3651 0.7787 0.130 Uiso 1 1 calc R . .
H1C H 0.3512 0.4075 0.8373 0.130 Uiso 1 1 calc R . .
C2 C 0.211(2) 0.472(2) 0.776(3) 0.094(3) Uani 1 1 d D . .
H2A H 0.2307 0.4800 0.8209 0.134 Uiso 1 1 calc R . .
H2B H 0.1630 0.4392 0.7700 0.134 Uiso 1 1 calc R . .
H2C H 0.1744 0.5041 0.7539 0.134 Uiso 1 1 calc R . .
C3 C 0.244(4) 0.7160(12) 0.7452(16) 0.094(19) Uani 1 1 d D . .
C4 C 0.123(2) 0.628(2) 0.785(2) 0.092(4) Uani 1 1 d D . .
C5 C 0.210(2) 0.4977(8) 0.5575(14) 0.083(10) Uani 1 1 d D . .
H5A H 0.2649 0.4711 0.5762 0.122 Uiso 1 1 calc R . .
H5B H 0.1964 0.4932 0.5114 0.122 Uiso 1 1 calc R . .
H5C H 0.1435 0.4903 0.5740 0.122 Uiso 1 1 calc R . .
C6 C 0.125(2) 0.6012(15) 0.5662(17) 0.086(13) Uani 1 1 d D . .
H6A H 0.0793 0.5844 0.5297 0.129 Uiso 1 1 calc R . .
H6B H 0.1331 0.6414 0.5586 0.129 Uiso 1 1 calc R . .
H6C H 0.0927 0.5959 0.6041 0.129 Uiso 1 1 calc R . .
C7 C 0.408(2) 0.7627(10) 0.5926(16) 0.074(10) Uani 1 1 d . . .
H7A H 0.3398 0.7488 0.5696 0.114 Uiso 1 1 calc R . .
H7B H 0.4410 0.7877 0.5652 0.114 Uiso 1 1 calc R . .
H7C H 0.3957 0.7832 0.6303 0.114 Uiso 1 1 calc R . .
C8 C 0.515(2) 0.6814(12) 0.5384(9) 0.077(9) Uani 1 1 d D . .
H8A H 0.5512 0.6449 0.5421 0.119 Uiso 1 1 calc R . .
H8B H 0.5596 0.7087 0.5206 0.119 Uiso 1 1 calc R . .
H8C H 0.4459 0.6780 0.5107 0.119 Uiso 1 1 calc R . .
C9 C 0.512(3) 0.733(2) 0.8762(16) 0.092(2) Uani 1 1 d D . .
H9A H 0.4363 0.7331 0.8570 0.138 Uiso 1 1 calc R . .
H9B H 0.5371 0.7711 0.8850 0.138 Uiso 1 1 calc R . .
H9C H 0.5211 0.7113 0.9157 0.138 Uiso 1 1 calc R . .
C10 C 0.634(4) 0.7650(12) 0.793(2) 0.092(3) Uani 1 1 d D . .
H10A H 0.6085 0.7673 0.7474 0.130 Uiso 1 1 calc R . .
H10B H 0.7118 0.7661 0.8017 0.130 Uiso 1 1 calc R . .
H10C H 0.6052 0.7967 0.8142 0.130 Uiso 1 1 calc R . .
C11 C 0.716(2) 0.5348(15) 0.9105(16) 0.089(14) Uani 1 1 d . . .
H11A H 0.7721 0.5232 0.8873 0.129 Uiso 1 1 calc R . .
H11B H 0.7206 0.5127 0.9495 0.129 Uiso 1 1 calc R . .
H11C H 0.7239 0.5746 0.9212 0.129 Uiso 1 1 calc R . .
C12 C 0.502(3) 0.551(2) 0.9118(17) 0.106(3) Uani 1 1 d D . .
H12A H 0.4510 0.5767 0.8868 0.143 Uiso 1 1 calc R . .
H12B H 0.5427 0.5713 0.9476 0.143 Uiso 1 1 calc R . .
H12C H 0.4625 0.5202 0.9276 0.143 Uiso 1 1 calc R . .
C13 C 0.643(2) 0.494(2) 0.5697(12) 0.098(3) Uani 1 1 d D . .
C14 C 0.525(3) 0.4133(8) 0.6191(18) 0.088(18) Uani 1 1 d D . .
C15 C 0.8130(19) 0.5638(10) 0.7463(13) 0.090(11) Uani 1 1 d D . .
C16 C 0.812(3) 0.6555(15) 0.6682(16) 0.096(15) Uani 1 1 d 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 I3 2.805(3) . ?
Ag1 I4 2.827(3) . ?
Ag1 I1 2.912(3) . ?
Ag1 I2 2.931(3) . ?
Ag2 I6 2.754(3) . ?
Ag2 I1 2.869(3) . ?
Ag2 I5 2.876(3) . ?
Ag2 I2 2.998(3) . ?
Ag3 I10 2.763(3) 4_566 ?
Ag3 I3 2.792(3) . ?
Ag3 I7 2.873(3) . ?
Ag3 I1 2.981(3) . ?
Ag4 I9 2.742(3) 4_566 ?
Ag4 I7 2.837(3) . ?
Ag4 I1 2.887(3) . ?
Ag4 I5 2.985(4) . ?
Ag5 I7 2.821(3) . ?
Ag5 I2 2.858(3) . ?
Ag5 I5 2.888(3) . ?
Ag5 I2 2.992(3) 3_767 ?
Ag6 I6 2.712(3) . ?
Ag6 I8 2.826(3) . ?
Ag6 I4 2.842(3) . ?
Ag7 I10 2.745(3) . ?
Ag7 I8 2.914(3) . ?
Ag7 I9 2.927(3) . ?
Ag7 I4 2.995(3) . ?
I2 Ag5 2.992(3) 3_767 ?
I9 Ag4 2.742(3) 4_565 ?
I10 Ag3 2.763(3) 4_565 ?
Tb1 O2 2.301(15) . ?
Tb1 O7 2.313(16) . ?
Tb1 O4 2.323(16) . ?
Tb1 O1 2.353(15) . ?
Tb1 O6 2.364(17) . ?
Tb1 O3 2.366(18) . ?
Tb1 O8 2.382(15) . ?
Tb1 O5 2.403(16) . ?
O1 S1 1.466(13) . ?
O2 S2A 1.471(14) . ?
O2 S2B 1.520(19) . ?
O3 S3 1.524(18) . ?
O4 S4 1.524(16) . ?
O5 S5 1.468(17) . ?
O6 S6 1.494(17) . ?
O7 S7B 1.433(17) . ?
O7 S7A 1.471(15) . ?
O8 S8B 1.42(3) . ?
O8 S8A 1.491(17) . ?
S1 C2 1.748(19) . ?
S1 C1 1.752(19) . ?
S2A C4 1.765(19) . ?
S2A C3 1.772(18) . ?
S2B C3 1.742(19) . ?
S2B C4 1.750(19) . ?
S3 C6 1.757(18) . ?
S3 C5 1.771(15) . ?
S4 C7 1.76(2) . ?
S4 C8 1.773(16) . ?
S5 C9 1.751(18) . ?
S5 C10 1.761(18) . ?
S6 C11 1.72(3) . ?
S6 C12 1.746(17) . ?
S7A C13 1.766(17) . ?
S7A C14 1.806(18) . ?
S7B C14 1.714(18) . ?
S7B C13 1.747(19) . ?
S8A C15 1.759(16) . ?
S8A C16 1.781(17) . ?
S8B C16 1.750(19) . ?
S8B C15 1.773(19) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 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_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 I4 112.97(10) . . ?
I3 Ag1 I1 112.46(9) . . ?
I4 Ag1 I1 94.76(9) . . ?
I3 Ag1 I2 107.71(9) . . ?
I4 Ag1 I2 120.03(10) . . ?
I1 Ag1 I2 108.31(9) . . ?
I6 Ag2 I1 108.51(10) . . ?
I6 Ag2 I5 118.18(10) . . ?
I1 Ag2 I5 105.98(9) . . ?
I6 Ag2 I2 108.07(10) . . ?
I1 Ag2 I2 107.63(9) . . ?
I5 Ag2 I2 108.04(9) . . ?
I10 Ag3 I3 118.47(10) 4_566 . ?
I10 Ag3 I7 112.46(9) 4_566 . ?
I3 Ag3 I7 110.17(10) . . ?
I10 Ag3 I1 102.47(9) 4_566 . ?
I3 Ag3 I1 110.77(9) . . ?
I7 Ag3 I1 100.75(8) . . ?
I9 Ag4 I7 122.59(11) 4_566 . ?
I9 Ag4 I1 109.00(10) 4_566 . ?
I7 Ag4 I1 103.96(10) . . ?
I9 Ag4 I5 114.56(11) 4_566 . ?
I7 Ag4 I5 101.85(10) . . ?
I1 Ag4 I5 102.73(10) . . ?
I7 Ag5 I2 121.14(11) . . ?
I7 Ag5 I5 104.71(10) . . ?
I2 Ag5 I5 111.65(10) . . ?
I7 Ag5 I2 110.70(10) . 3_767 ?
I2 Ag5 I2 101.22(9) . 3_767 ?
I5 Ag5 I2 106.75(10) . 3_767 ?
I6 Ag6 I8 124.03(11) . . ?
I6 Ag6 I4 126.74(12) . . ?
I8 Ag6 I4 105.79(10) . . ?
I10 Ag7 I8 114.53(10) . . ?
I10 Ag7 I9 130.92(11) . . ?
I8 Ag7 I9 96.17(9) . . ?
I10 Ag7 I4 112.33(10) . . ?
I8 Ag7 I4 99.80(9) . . ?
I9 Ag7 I4 97.91(9) . . ?
Ag2 I1 Ag4 74.69(9) . . ?
Ag2 I1 Ag1 70.34(8) . . ?
Ag4 I1 Ag1 110.08(9) . . ?
Ag2 I1 Ag3 107.68(8) . . ?
Ag4 I1 Ag3 71.91(8) . . ?
Ag1 I1 Ag3 64.50(7) . . ?
Ag5 I2 Ag1 93.64(9) . . ?
Ag5 I2 Ag5 78.78(9) . 3_767 ?
Ag1 I2 Ag5 155.45(10) . 3_767 ?
Ag5 I2 Ag2 63.70(8) . . ?
Ag1 I2 Ag2 68.33(8) . . ?
Ag5 I2 Ag2 125.94(9) 3_767 . ?
Ag3 I3 Ag1 68.37(8) . . ?
Ag1 I4 Ag6 89.25(10) . . ?
Ag1 I4 Ag7 141.16(10) . . ?
Ag6 I4 Ag7 60.79(8) . . ?
Ag2 I5 Ag5 64.88(8) . . ?
Ag2 I5 Ag4 73.10(8) . . ?
Ag5 I5 Ag4 69.77(8) . . ?
Ag6 I6 Ag2 93.69(10) . . ?
Ag5 I7 Ag4 72.86(9) . . ?
Ag5 I7 Ag3 99.59(9) . . ?
Ag4 I7 Ag3 74.25(9) . . ?
Ag6 I8 Ag7 61.97(8) . . ?
Ag4 I9 Ag7 85.39(9) 4_565 . ?
Ag7 I10 Ag3 96.78(9) . 4_565 ?
O2 Tb1 O7 140.5(7) . . ?
O2 Tb1 O4 98.9(7) . . ?
O7 Tb1 O4 90.8(7) . . ?
O2 Tb1 O1 74.8(7) . . ?
O7 Tb1 O1 76.8(7) . . ?
O4 Tb1 O1 147.8(5) . . ?
O2 Tb1 O6 90.9(7) . . ?
O7 Tb1 O6 104.4(7) . . ?
O4 Tb1 O6 142.4(5) . . ?
O1 Tb1 O6 69.8(5) . . ?
O2 Tb1 O3 74.4(8) . . ?
O7 Tb1 O3 72.8(8) . . ?
O4 Tb1 O3 71.2(5) . . ?
O1 Tb1 O3 76.7(6) . . ?
O6 Tb1 O3 146.0(6) . . ?
O2 Tb1 O8 148.8(7) . . ?
O7 Tb1 O8 70.7(7) . . ?
O4 Tb1 O8 76.7(6) . . ?
O1 Tb1 O8 124.6(6) . . ?
O6 Tb1 O8 76.5(6) . . ?
O3 Tb1 O8 130.2(6) . . ?
O2 Tb1 O5 72.4(6) . . ?
O7 Tb1 O5 146.5(6) . . ?
O4 Tb1 O5 74.2(5) . . ?
O1 Tb1 O5 130.3(6) . . ?
O6 Tb1 O5 74.4(6) . . ?
O3 Tb1 O5 126.8(7) . . ?
O8 Tb1 O5 76.7(6) . . ?
S1 O1 Tb1 139.6(11) . . ?
S2A O2 S2B 51.9(12) . . ?
S2A O2 Tb1 151.2(14) . . ?
S2B O2 Tb1 115.2(17) . . ?
S3 O3 Tb1 130.5(12) . . ?
S4 O4 Tb1 128.7(9) . . ?
S5 O5 Tb1 138.6(10) . . ?
S6 O6 Tb1 137.7(10) . . ?
S7B O7 S7A 47.5(13) . . ?
S7B O7 Tb1 175.9(17) . . ?
S7A O7 Tb1 131.4(13) . . ?
S8B O8 S8A 53.6(12) . . ?
S8B O8 Tb1 156.1(16) . . ?
S8A O8 Tb1 130.8(10) . . ?
O1 S1 C2 108.9(19) . . ?
O1 S1 C1 107(2) . . ?
C2 S1 C1 95(2) . . ?
O2 S2A C4 106(2) . . ?
O2 S2A C3 107.7(16) . . ?
C4 S2A C3 102(2) . . ?
O2 S2B C3 107.0(19) . . ?
O2 S2B C4 105(2) . . ?
C3 S2B C4 104(3) . . ?
O3 S3 C6 103.2(15) . . ?
O3 S3 C5 105.0(13) . . ?
C6 S3 C5 97.8(17) . . ?
O4 S4 C7 104.2(11) . . ?
O4 S4 C8 102.1(11) . . ?
C7 S4 C8 98.9(15) . . ?
O5 S5 C9 108.4(15) . . ?
O5 S5 C10 102.0(17) . . ?
C9 S5 C10 96(2) . . ?
O6 S6 C11 106.1(12) . . ?
O6 S6 C12 102.8(17) . . ?
C11 S6 C12 102(2) . . ?
O7 S7A C13 111.7(18) . . ?
O7 S7A C14 106.3(16) . . ?
C13 S7A C14 98(2) . . ?
O7 S7B C14 113(2) . . ?
O7 S7B C13 115(2) . . ?
C14 S7B C13 102(3) . . ?
O8 S8A C15 106.2(12) . . ?
O8 S8A C16 105.0(15) . . ?
C15 S8A C16 99.4(17) . . ?
O8 S8B C16 110(2) . . ?
O8 S8B C15 108.9(18) . . ?
C16 S8B C15 100(2) . . ?
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 . . ?
S2B C3 S2A 43.7(10) . . ?
S2B C4 S2A 43.7(10) . . ?
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 38.9(11) . . ?
S7B C14 S7A 38.7(11) . . ?
S8A C15 S8B 43.7(11) . . ?
S8B C16 S8A 43.7(11) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
I6 Ag2 I1 Ag4 -142.67(11) . . . . ?
I5 Ag2 I1 Ag4 -14.80(9) . . . . ?
I2 Ag2 I1 Ag4 100.61(10) . . . . ?
I6 Ag2 I1 Ag1 98.91(11) . . . . ?
I5 Ag2 I1 Ag1 -133.22(10) . . . . ?
I2 Ag2 I1 Ag1 -17.81(8) . . . . ?
I6 Ag2 I1 Ag3 152.49(9) . . . . ?
I5 Ag2 I1 Ag3 -79.64(11) . . . . ?
I2 Ag2 I1 Ag3 35.77(11) . . . . ?
I9 Ag4 I1 Ag2 135.93(12) 4_566 . . . ?
I7 Ag4 I1 Ag2 -91.81(10) . . . . ?
I5 Ag4 I1 Ag2 14.04(8) . . . . ?
I9 Ag4 I1 Ag1 -162.20(10) 4_566 . . . ?
I7 Ag4 I1 Ag1 -29.94(13) . . . . ?
I5 Ag4 I1 Ag1 75.91(10) . . . . ?
I9 Ag4 I1 Ag3 -109.19(11) 4_566 . . . ?
I7 Ag4 I1 Ag3 23.06(9) . . . . ?
I5 Ag4 I1 Ag3 128.91(9) . . . . ?
I3 Ag1 I1 Ag2 137.22(11) . . . . ?
I4 Ag1 I1 Ag2 -105.51(9) . . . . ?
I2 Ag1 I1 Ag2 18.30(9) . . . . ?
I3 Ag1 I1 Ag4 72.64(12) . . . . ?
I4 Ag1 I1 Ag4 -170.09(9) . . . . ?
I2 Ag1 I1 Ag4 -46.28(12) . . . . ?
I3 Ag1 I1 Ag3 15.37(9) . . . . ?
I4 Ag1 I1 Ag3 132.64(9) . . . . ?
I2 Ag1 I1 Ag3 -103.55(10) . . . . ?
I10 Ag3 I1 Ag2 160.35(9) 4_566 . . . ?
I3 Ag3 I1 Ag2 -72.35(11) . . . . ?
I7 Ag3 I1 Ag2 44.22(10) . . . . ?
I10 Ag3 I1 Ag4 93.66(9) 4_566 . . . ?
I3 Ag3 I1 Ag4 -139.04(11) . . . . ?
I7 Ag3 I1 Ag4 -22.47(8) . . . . ?
I10 Ag3 I1 Ag1 -142.56(10) 4_566 . . . ?
I3 Ag3 I1 Ag1 -15.26(9) . . . . ?
I7 Ag3 I1 Ag1 101.32(9) . . . . ?
I7 Ag5 I2 Ag1 33.68(12) . . . . ?
I5 Ag5 I2 Ag1 -90.31(10) . . . . ?
I2 Ag5 I2 Ag1 156.43(10) 3_767 . . . ?
I7 Ag5 I2 Ag5 -122.75(14) . . . 3_767 ?
I5 Ag5 I2 Ag5 113.26(12) . . . 3_767 ?
I2 Ag5 I2 Ag5 0.0 3_767 . . 3_767 ?
I7 Ag5 I2 Ag2 97.31(12) . . . . ?
I5 Ag5 I2 Ag2 -26.68(9) . . . . ?
I2 Ag5 I2 Ag2 -139.94(11) 3_767 . . . ?
I3 Ag1 I2 Ag5 -79.81(10) . . . . ?
I4 Ag1 I2 Ag5 149.06(10) . . . . ?
I1 Ag1 I2 Ag5 42.07(10) . . . . ?
I3 Ag1 I2 Ag5 -9.1(3) . . . 3_767 ?
I4 Ag1 I2 Ag5 -140.2(2) . . . 3_767 ?
I1 Ag1 I2 Ag5 112.8(2) . . . 3_767 ?
I3 Ag1 I2 Ag2 -139.61(10) . . . . ?
I4 Ag1 I2 Ag2 89.26(11) . . . . ?
I1 Ag1 I2 Ag2 -17.73(8) . . . . ?
I6 Ag2 I2 Ag5 155.11(12) . . . . ?
I1 Ag2 I2 Ag5 -87.89(10) . . . . ?
I5 Ag2 I2 Ag5 26.16(9) . . . . ?
I6 Ag2 I2 Ag1 -99.07(10) . . . . ?
I1 Ag2 I2 Ag1 17.93(8) . . . . ?
I5 Ag2 I2 Ag1 131.98(10) . . . . ?
I6 Ag2 I2 Ag5 103.88(12) . . . 3_767 ?
I1 Ag2 I2 Ag5 -139.12(10) . . . 3_767 ?
I5 Ag2 I2 Ag5 -25.07(15) . . . 3_767 ?
I10 Ag3 I3 Ag1 133.31(12) 4_566 . . . ?
I7 Ag3 I3 Ag1 -95.22(10) . . . . ?
I1 Ag3 I3 Ag1 15.38(9) . . . . ?
I4 Ag1 I3 Ag3 -121.78(11) . . . . ?
I1 Ag1 I3 Ag3 -15.95(9) . . . . ?
I2 Ag1 I3 Ag3 103.32(10) . . . . ?
I3 Ag1 I4 Ag6 -160.02(10) . . . . ?
I1 Ag1 I4 Ag6 83.13(9) . . . . ?
I2 Ag1 I4 Ag6 -31.21(12) . . . . ?
I3 Ag1 I4 Ag7 -122.60(14) . . . . ?
I1 Ag1 I4 Ag7 120.55(14) . . . . ?
I2 Ag1 I4 Ag7 6.2(2) . . . . ?
I6 Ag6 I4 Ag1 -48.64(17) . . . . ?
I8 Ag6 I4 Ag1 110.87(12) . . . . ?
I6 Ag6 I4 Ag7 157.25(19) . . . . ?
I8 Ag6 I4 Ag7 -43.24(10) . . . . ?
I10 Ag7 I4 Ag1 118.11(14) . . . . ?
I8 Ag7 I4 Ag1 -3.66(18) . . . . ?
I9 Ag7 I4 Ag1 -101.37(15) . . . . ?
I10 Ag7 I4 Ag6 162.22(14) . . . . ?
I8 Ag7 I4 Ag6 40.46(10) . . . . ?
I9 Ag7 I4 Ag6 -57.26(10) . . . . ?
I6 Ag2 I5 Ag5 -148.58(13) . . . . ?
I1 Ag2 I5 Ag5 89.54(10) . . . . ?
I2 Ag2 I5 Ag5 -25.58(9) . . . . ?
I6 Ag2 I5 Ag4 136.30(12) . . . . ?
I1 Ag2 I5 Ag4 14.42(9) . . . . ?
I2 Ag2 I5 Ag4 -100.70(10) . . . . ?
I7 Ag5 I5 Ag2 -105.20(11) . . . . ?
I2 Ag5 I5 Ag2 27.61(9) . . . . ?
I2 Ag5 I5 Ag2 137.37(11) 3_767 . . . ?
I7 Ag5 I5 Ag4 -24.95(9) . . . . ?
I2 Ag5 I5 Ag4 107.86(11) . . . . ?
I2 Ag5 I5 Ag4 -142.38(10) 3_767 . . . ?
I9 Ag4 I5 Ag2 -132.16(12) 4_566 . . . ?
I7 Ag4 I5 Ag2 93.34(10) . . . . ?
I1 Ag4 I5 Ag2 -14.12(8) . . . . ?
I9 Ag4 I5 Ag5 158.99(12) 4_566 . . . ?
I7 Ag4 I5 Ag5 24.49(9) . . . . ?
I1 Ag4 I5 Ag5 -82.97(9) . . . . ?
I8 Ag6 I6 Ag2 -117.04(16) . . . . ?
I4 Ag6 I6 Ag2 38.98(18) . . . . ?
I1 Ag2 I6 Ag6 -67.01(12) . . . . ?
I5 Ag2 I6 Ag6 172.41(11) . . . . ?
I2 Ag2 I6 Ag6 49.43(12) . . . . ?
I2 Ag5 I7 Ag4 -101.35(12) . . . . ?
I5 Ag5 I7 Ag4 25.84(9) . . . . ?
I2 Ag5 I7 Ag4 140.53(11) 3_767 . . . ?
I2 Ag5 I7 Ag3 -31.23(13) . . . . ?
I5 Ag5 I7 Ag3 95.95(10) . . . . ?
I2 Ag5 I7 Ag3 -149.35(9) 3_767 . . . ?
I9 Ag4 I7 Ag5 -154.28(15) 4_566 . . . ?
I1 Ag4 I7 Ag5 81.88(10) . . . . ?
I5 Ag4 I7 Ag5 -24.63(9) . . . . ?
I9 Ag4 I7 Ag3 100.17(14) 4_566 . . . ?
I1 Ag4 I7 Ag3 -23.67(9) . . . . ?
I5 Ag4 I7 Ag3 -130.18(9) . . . . ?
I10 Ag3 I7 Ag5 -154.86(10) 4_566 . . . ?
I3 Ag3 I7 Ag5 70.59(11) . . . . ?
I1 Ag3 I7 Ag5 -46.42(10) . . . . ?
I10 Ag3 I7 Ag4 -85.85(11) 4_566 . . . ?
I3 Ag3 I7 Ag4 139.60(11) . . . . ?
I1 Ag3 I7 Ag4 22.59(8) . . . . ?
I6 Ag6 I8 Ag7 -155.65(18) . . . . ?
I4 Ag6 I8 Ag7 44.13(10) . . . . ?
I10 Ag7 I8 Ag6 -160.35(14) . . . . ?
I9 Ag7 I8 Ag6 58.98(10) . . . . ?
I4 Ag7 I8 Ag6 -40.18(10) . . . . ?
I10 Ag7 I9 Ag4 36.45(15) . . . 4_565 ?
I8 Ag7 I9 Ag4 166.71(10) . . . 4_565 ?
I4 Ag7 I9 Ag4 -92.45(9) . . . 4_565 ?
I8 Ag7 I10 Ag3 -161.40(11) . . . 4_565 ?
I9 Ag7 I10 Ag3 -37.90(16) . . . 4_565 ?
I4 Ag7 I10 Ag3 85.66(11) . . . 4_565 ?
O2 Tb1 O1 S1 92(2) . . . . ?
O7 Tb1 O1 S1 -60.6(19) . . . . ?
O4 Tb1 O1 S1 9(3) . . . . ?
O6 Tb1 O1 S1 -172(2) . . . . ?
O3 Tb1 O1 S1 14.5(19) . . . . ?
O8 Tb1 O1 S1 -115.5(19) . . . . ?
O5 Tb1 O1 S1 141.9(17) . . . . ?
O7 Tb1 O2 S2A -129(3) . . . . ?
O4 Tb1 O2 S2A -27(3) . . . . ?
O1 Tb1 O2 S2A -175(3) . . . . ?
O6 Tb1 O2 S2A 116(3) . . . . ?
O3 Tb1 O2 S2A -95(3) . . . . ?
O8 Tb1 O2 S2A 52(4) . . . . ?
O5 Tb1 O2 S2A 43(3) . . . . ?
O7 Tb1 O2 S2B -73(2) . . . . ?
O4 Tb1 O2 S2B 28.8(17) . . . . ?
O1 Tb1 O2 S2B -118.9(17) . . . . ?
O6 Tb1 O2 S2B 172.4(16) . . . . ?
O3 Tb1 O2 S2B -38.7(16) . . . . ?
O8 Tb1 O2 S2B 108(2) . . . . ?
O5 Tb1 O2 S2B 99.1(17) . . . . ?
O2 Tb1 O3 S3 149.7(18) . . . . ?
O7 Tb1 O3 S3 -52.6(16) . . . . ?
O4 Tb1 O3 S3 44.4(15) . . . . ?
O1 Tb1 O3 S3 -132.6(17) . . . . ?
O6 Tb1 O3 S3 -142.9(12) . . . . ?
O8 Tb1 O3 S3 -8(2) . . . . ?
O5 Tb1 O3 S3 96.6(17) . . . . ?
O2 Tb1 O4 S4 120.1(13) . . . . ?
O7 Tb1 O4 S4 -98.4(13) . . . . ?
O1 Tb1 O4 S4 -164.4(11) . . . . ?
O6 Tb1 O4 S4 16.9(19) . . . . ?
O3 Tb1 O4 S4 -169.8(15) . . . . ?
O8 Tb1 O4 S4 -28.5(12) . . . . ?
O5 Tb1 O4 S4 51.2(12) . . . . ?
O2 Tb1 O5 S5 100.2(18) . . . . ?
O7 Tb1 O5 S5 -88(2) . . . . ?
O4 Tb1 O5 S5 -154.9(18) . . . . ?
O1 Tb1 O5 S5 49.2(19) . . . . ?
O6 Tb1 O5 S5 4.2(16) . . . . ?
O3 Tb1 O5 S5 154.1(15) . . . . ?
O8 Tb1 O5 S5 -75.2(16) . . . . ?
O2 Tb1 O6 S6 64.4(16) . . . . ?
O7 Tb1 O6 S6 -78.8(16) . . . . ?
O4 Tb1 O6 S6 170.2(12) . . . . ?
O1 Tb1 O6 S6 -9.1(14) . . . . ?
O3 Tb1 O6 S6 2(2) . . . . ?
O8 Tb1 O6 S6 -144.4(16) . . . . ?
O5 Tb1 O6 S6 135.9(16) . . . . ?
O2 Tb1 O7 S7B 161(25) . . . . ?
O4 Tb1 O7 S7B 56(25) . . . . ?
O1 Tb1 O7 S7B -154(26) . . . . ?
O6 Tb1 O7 S7B -89(25) . . . . ?
O3 Tb1 O7 S7B 126(25) . . . . ?
O8 Tb1 O7 S7B -20(25) . . . . ?
O5 Tb1 O7 S7B -6(26) . . . . ?
O2 Tb1 O7 S7A -126.5(16) . . . . ?
O4 Tb1 O7 S7A 128.4(17) . . . . ?
O1 Tb1 O7 S7A -81.7(17) . . . . ?
O6 Tb1 O7 S7A -16.9(18) . . . . ?
O3 Tb1 O7 S7A -161.6(18) . . . . ?
O8 Tb1 O7 S7A 52.8(16) . . . . ?
O5 Tb1 O7 S7A 66(2) . . . . ?
O2 Tb1 O8 S8B 128(4) . . . . ?
O7 Tb1 O8 S8B -51(4) . . . . ?
O4 Tb1 O8 S8B -147(4) . . . . ?
O1 Tb1 O8 S8B 7(4) . . . . ?
O6 Tb1 O8 S8B 60(4) . . . . ?
O3 Tb1 O8 S8B -96(4) . . . . ?
O5 Tb1 O8 S8B 137(4) . . . . ?
O2 Tb1 O8 S8A 37(2) . . . . ?
O7 Tb1 O8 S8A -141.8(16) . . . . ?
O4 Tb1 O8 S8A 122.5(15) . . . . ?
O1 Tb1 O8 S8A -84.3(15) . . . . ?
O6 Tb1 O8 S8A -31.0(13) . . . . ?
O3 Tb1 O8 S8A 173.2(12) . . . . ?
O5 Tb1 O8 S8A 45.8(14) . . . . ?
Tb1 O1 S1 C2 -93(3) . . . . ?
Tb1 O1 S1 C1 165(2) . . . . ?
S2B O2 S2A C4 55.4(17) . . . . ?
Tb1 O2 S2A C4 128(3) . . . . ?
S2B O2 S2A C3 -53.6(16) . . . . ?
Tb1 O2 S2A C3 19(3) . . . . ?
S2A O2 S2B C3 54.7(16) . . . . ?
Tb1 O2 S2B C3 -94.8(19) . . . . ?
S2A O2 S2B C4 -55.5(19) . . . . ?
Tb1 O2 S2B C4 155(2) . . . . ?
Tb1 O3 S3 C6 -137.0(19) . . . . ?
Tb1 O3 S3 C5 121.1(16) . . . . ?
Tb1 O4 S4 C7 -145.5(15) . . . . ?
Tb1 O4 S4 C8 111.9(15) . . . . ?
Tb1 O5 S5 C9 -117(2) . . . . ?
Tb1 O5 S5 C10 142.8(19) . . . . ?
Tb1 O6 S6 C11 176.4(18) . . . . ?
Tb1 O6 S6 C12 -77(2) . . . . ?
S7B O7 S7A C13 52.9(18) . . . . ?
Tb1 O7 S7A C13 -122(2) . . . . ?
S7B O7 S7A C14 -53.0(16) . . . . ?
Tb1 O7 S7A C14 132.2(18) . . . . ?
S7A O7 S7B C14 61.4(19) . . . . ?
Tb1 O7 S7B C14 137(25) . . . . ?
S7A O7 S7B C13 -56(2) . . . . ?
Tb1 O7 S7B C13 21(27) . . . . ?
S8B O8 S8A C15 -53.1(14) . . . . ?
Tb1 O8 S8A C15 96.7(16) . . . . ?
S8B O8 S8A C16 51.7(16) . . . . ?
Tb1 O8 S8A C16 -158.5(17) . . . . ?
S8A O8 S8B C16 -55.2(17) . . . . ?
Tb1 O8 S8B C16 -165(3) . . . . ?
S8A O8 S8B C15 53.6(15) . . . . ?
Tb1 O8 S8B C15 -56(4) . . . . ?
O2 S2B C3 S2A -50.4(14) . . . . ?
C4 S2B C3 S2A 60.4(16) . . . . ?
O2 S2A C3 S2B 53.1(16) . . . . ?
C4 S2A C3 S2B -58.9(18) . . . . ?
O2 S2B C4 S2A 51.4(16) . . . . ?
C3 S2B C4 S2A -60.8(16) . . . . ?
O2 S2A C4 S2B -54.4(18) . . . . ?
C3 S2A C4 S2B 58.4(17) . . . . ?
O7 S7B C13 S7A 54(2) . . . . ?
C14 S7B C13 S7A -69.2(16) . . . . ?
O7 S7A C13 S7B -50.1(17) . . . . ?
C14 S7A C13 S7B 61.1(15) . . . . ?
O7 S7B C14 S7A -57.4(18) . . . . ?
C13 S7B C14 S7A 66.6(15) . . . . ?
O7 S7A C14 S7B 51.9(15) . . . . ?
C13 S7A C14 S7B -63.6(16) . . . . ?
O8 S8A C15 S8B 48.2(15) . . . . ?
C16 S8A C15 S8B -60.5(14) . . . . ?
O8 S8B C15 S8A -52.7(17) . . . . ?
C16 S8B C15 S8A 62.6(14) . . . . ?
O8 S8B C16 S8A 53.2(18) . . . . ?
C15 S8B C16 S8A -61.3(13) . . . . ?
O8 S8A C16 S8B -47.9(17) . . . . ?
C15 S8A C16 S8B 61.9(14) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.761
_refine_diff_density_min         -1.581
_refine_diff_density_rms         0.251
####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 1580609'
_audit_update_record             
;
2017-10-18 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_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

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

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                   17.574(3)
_cell_length_b                   14.937(3)
_cell_length_c                   22.480(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 122.31(2)
_cell_angle_gamma                90.00
_cell_volume                     4987(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    253(2)
_cell_measurement_reflns_used    25973
_cell_measurement_theta_min      2.1437
_cell_measurement_theta_max      34.7989

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.029
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4092
_exptl_absorpt_coefficient_mu    9.053
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.0562
_exptl_absorpt_correction_T_max  0.2647
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      253(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  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 14.63
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38638
_diffrn_reflns_av_R_equivalents  0.0786
_diffrn_reflns_av_sigmaI/netI    0.0631
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.82
_diffrn_reflns_theta_max         25.35
_reflns_number_total             9097
_reflns_number_gt                7958
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_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)+(0.0420P)²+165.5918P] 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         9097
_refine_ls_number_parameters     400
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0552
_refine_ls_wR_factor_ref         0.1165
_refine_ls_wR_factor_gt          0.1031
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_restrained_S_all      1.218
_refine_ls_shift/su_max          0.002
_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 0.0937(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 . .


_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 2.722(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_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 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_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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
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) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.108
_refine_diff_density_min         -1.565
_refine_diff_density_rms         0.210
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1580606'
_audit_update_record             
;
2017-10-18 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H48 Ag7 Eu I10 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'
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'
Ag Ag -0.8971 1.1015 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

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                   12.328(2)
_cell_length_b                   23.283(4)
_cell_length_c                   20.870(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.055(5)
_cell_angle_gamma                90.00
_cell_volume                     5898.1(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    253(2)
_cell_measurement_reflns_used    18725
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      25.35


_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.50
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.154
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5032
_exptl_absorpt_coefficient_mu    8.867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0532
_exptl_absorpt_correction_T_max  0.0954
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      253(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  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 14.63
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28931
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0723
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.10
_diffrn_reflns_theta_max         25.35
_reflns_number_total             10740
_reflns_number_gt                8592
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0861P)²+39.6760P] 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     SHELXL
_refine_ls_extinction_coef       0.00098(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         10740
_refine_ls_number_parameters     445
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0471
_refine_ls_wR_factor_ref         0.1049
_refine_ls_wR_factor_gt          0.0869
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_restrained_S_all      1.125
_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 -0.09338(13) 0.15574(8) 0.62105(7) 0.0479(4) Uani 1 1 d . . .
Ag2 Ag -0.14293(14) 0.22713(8) 0.49443(8) 0.0513(4) Uani 1 1 d . . .
Ag3 Ag 0.11780(16) 0.20675(10) 0.45862(9) 0.0512(5) Uani 1 1 d . . .
Ag4 Ag 0.16294(15) 0.12308(8) 0.59977(8) 0.0555(5) Uani 1 1 d . . .
Ag5 Ag 0.03738(15) 0.07270(9) 0.47320(8) 0.0565(5) Uani 1 1 d . . .
Ag6 Ag -0.01304(14) 0.34653(9) 0.38754(8) 0.0545(5) Uani 1 1 d . . .
Ag7 Ag 0.12049(15) 0.37451(9) 0.28712(9) 0.0558(5) Uani 1 1 d . . .
I1 I 0.06713(10) 0.23563(5) 0.58579(5) 0.0364(3) Uani 1 1 d . . .
I2 I -0.30423(11) 0.17049(7) 0.54927(7) 0.0512(4) Uani 1 1 d . . .
I3 I -0.02024(11) 0.04000(6) 0.59549(6) 0.0441(3) Uani 1 1 d . . .
I4 I -0.07048(11) 0.19520(7) 0.75111(5) 0.0442(4) Uani 1 1 d . . .
I5 I -0.07940(10) 0.15792(6) 0.39354(6) 0.0422(3) Uani 1 1 d . . .
I6 I -0.18121(10) 0.34075(6) 0.45770(6) 0.0413(3) Uani 1 1 d . . .
I7 I 0.26395(10) 0.10684(6) 0.48687(6) 0.0442(3) Uani 1 1 d . . .
I8 I 0.21274(10) 0.30185(6) 0.41337(6) 0.0431(3) Uani 1 1 d . . .
I9 I 0.29111(11) 0.11661(7) 0.72124(6) 0.0465(4) Uani 1 1 d . . .
I10 I 0.05294(11) 0.46410(6) 0.36395(7) 0.0488(4) Uani 1 1 d . . .
Eu1 Eu 0.45281(6) 0.41101(4) 0.71485(4) 0.0316(2) Uani 1 1 d . . .
O1 O 0.4081(10) 0.5005(6) 0.7546(6) 0.045(3) Uani 1 1 d . . .
O2 O 0.4769(11) 0.4787(6) 0.6288(6) 0.045(3) Uani 1 1 d . . .
O3 O 0.2718(10) 0.4293(6) 0.6505(6) 0.041(3) Uani 1 1 d . . .
O4 O 0.3294(10) 0.3869(7) 0.7852(6) 0.046(3) Uani 1 1 d . . .
O5 O 0.4166(10) 0.3397(5) 0.6354(5) 0.036(3) Uani 1 1 d . . .
O6 O 0.5802(10) 0.4358(6) 0.8068(6) 0.040(3) Uani 1 1 d . . .
O7 O 0.6285(10) 0.3967(6) 0.6813(6) 0.039(3) Uani 1 1 d . . .
O8 O 0.5116(8) 0.3200(6) 0.7656(5) 0.033(3) Uani 1 1 d . . .
S1 S 0.3263(5) 0.5488(3) 0.7389(3) 0.0634(17) Uani 1 1 d . . .
S2 S 0.5741(5) 0.5178(3) 0.6373(2) 0.0533(14) Uani 1 1 d D . .
S3 S 0.2457(4) 0.4306(2) 0.5777(2) 0.0468(10) Uani 1 1 d D . .
S4 S 0.2500(5) 0.3438(3) 0.8008(2) 0.0493(14) Uani 1 1 d . . .
S5 S 0.4944(3) 0.2948(2) 0.61643(19) 0.0444(9) Uani 1 1 d D . .
S6 S 0.5917(4) 0.4791(2) 0.8621(2) 0.0469(11) Uani 1 1 d D . .
S7 S 0.7327(4) 0.3743(3) 0.7217(3) 0.0513(14) Uani 1 1 d D . .
S8 S 0.5885(4) 0.3011(2) 0.8261(2) 0.0479(13) Uani 1 1 d D . .
C1 C 0.2117(19) 0.5288(14) 0.7668(16) 0.071(10) Uani 1 1 d . . .
H1A H 0.2304 0.4997 0.8002 0.097 Uiso 1 1 calc R . .
H1B H 0.1587 0.5132 0.7312 0.097 Uiso 1 1 calc R . .
H1C H 0.1801 0.5618 0.7850 0.097 Uiso 1 1 calc R . .
C2 C 0.374(2) 0.6015(10) 0.7960(14) 0.076(8) Uani 1 1 d . . .
H2A H 0.4452 0.5904 0.8202 0.104 Uiso 1 1 calc R . .
H2B H 0.3221 0.6059 0.8258 0.104 Uiso 1 1 calc R . .
H2C H 0.3805 0.6377 0.7740 0.104 Uiso 1 1 calc R . .
C3 C 0.514(2) 0.5864(10) 0.6163(14) 0.069(8) Uani 1 1 d D . .
H3A H 0.4554 0.5826 0.5790 0.090 Uiso 1 1 calc R . .
H3B H 0.5700 0.6123 0.6056 0.090 Uiso 1 1 calc R . .
H3C H 0.4844 0.6018 0.6528 0.090 Uiso 1 1 calc R . .
C4 C 0.647(2) 0.5055(15) 0.5727(11) 0.073(8) Uani 1 1 d D . .
H4A H 0.6629 0.4649 0.5704 0.099 Uiso 1 1 calc R . .
H4B H 0.7149 0.5271 0.5803 0.099 Uiso 1 1 calc R . .
H4C H 0.6019 0.5177 0.5321 0.099 Uiso 1 1 calc R . .
C5 C 0.2104(14) 0.5015(10) 0.5568(10) 0.056(5) Uani 1 1 d . . .
H5A H 0.1661 0.5169 0.5869 0.089 Uiso 1 1 calc R . .
H5B H 0.1685 0.5028 0.5129 0.089 Uiso 1 1 calc R . .
H5C H 0.2768 0.5242 0.5590 0.089 Uiso 1 1 calc R . .
C6 C 0.1102(16) 0.4004(12) 0.5628(12) 0.070(7) Uani 1 1 d D . .
H6A H 0.1128 0.3615 0.5795 0.095 Uiso 1 1 calc R . .
H6B H 0.0825 0.3999 0.5163 0.095 Uiso 1 1 calc R . .
H6C H 0.0618 0.4234 0.5844 0.095 Uiso 1 1 calc R . .
C7 C 0.1165(19) 0.3684(15) 0.7734(16) 0.071(7) Uani 1 1 d . . .
H7A H 0.1014 0.4008 0.7997 0.093 Uiso 1 1 calc R . .
H7B H 0.0644 0.3378 0.7769 0.093 Uiso 1 1 calc R . .
H7C H 0.1093 0.3803 0.7283 0.093 Uiso 1 1 calc R . .
C8 C 0.249(2) 0.2877(15) 0.7446(15) 0.069(7) Uani 1 1 d . . .
H8A H 0.2503 0.3035 0.7018 0.093 Uiso 1 1 calc R . .
H8B H 0.1824 0.2650 0.7433 0.093 Uiso 1 1 calc R . .
H8C H 0.3128 0.2635 0.7577 0.093 Uiso 1 1 calc R . .
C9 C 0.520(2) 0.3203(11) 0.5401(9) 0.065(7) Uani 1 1 d D . .
H9A H 0.5550 0.2904 0.5188 0.088 Uiso 1 1 calc R . .
H9B H 0.5675 0.3537 0.5470 0.088 Uiso 1 1 calc R . .
H9C H 0.4505 0.3309 0.5130 0.088 Uiso 1 1 calc R . .
C10 C 0.4077(16) 0.2366(9) 0.5889(12) 0.051(5) Uani 1 1 d . . .
H10A H 0.3766 0.2211 0.6249 0.076 Uiso 1 1 calc R . .
H10B H 0.4500 0.2070 0.5716 0.076 Uiso 1 1 calc R . .
H10C H 0.3487 0.2495 0.5550 0.076 Uiso 1 1 calc R . .
C11 C 0.502(2) 0.4548(15) 0.9120(12) 0.061(9) Uani 1 1 d . . .
H11A H 0.4316 0.4454 0.8856 0.082 Uiso 1 1 calc R . .
H11B H 0.4921 0.4847 0.9429 0.082 Uiso 1 1 calc R . .
H11C H 0.5328 0.4209 0.9354 0.082 Uiso 1 1 calc R . .
C12 C 0.7174(12) 0.4631(10) 0.9141(10) 0.058(7) Uani 1 1 d D . .
H12A H 0.7420 0.4251 0.9041 0.086 Uiso 1 1 calc R . .
H12B H 0.7064 0.4642 0.9590 0.086 Uiso 1 1 calc R . .
H12C H 0.7725 0.4913 0.9078 0.086 Uiso 1 1 calc R . .
C13 C 0.8022(15) 0.3431(12) 0.6625(11) 0.068(6) Uani 1 1 d D . .
H13A H 0.7549 0.3147 0.6376 0.087 Uiso 1 1 calc R . .
H13B H 0.8693 0.3247 0.6841 0.087 Uiso 1 1 calc R . .
H13C H 0.8203 0.3728 0.6336 0.087 Uiso 1 1 calc R . .
C14 C 0.8190(14) 0.4343(10) 0.7427(13) 0.068(6) Uani 1 1 d D . .
H14A H 0.8413 0.4497 0.7038 0.087 Uiso 1 1 calc R . .
H14B H 0.8838 0.4226 0.7733 0.087 Uiso 1 1 calc R . .
H14C H 0.7794 0.4634 0.7624 0.087 Uiso 1 1 calc R . .
C15 C 0.5082(19) 0.2764(17) 0.8786(14) 0.071(9) Uani 1 1 d . . .
H15A H 0.4452 0.3016 0.8775 0.090 Uiso 1 1 calc R . .
H15B H 0.5507 0.2755 0.9224 0.090 Uiso 1 1 calc R . .
H15C H 0.4827 0.2380 0.8660 0.090 Uiso 1 1 calc R . .
C16 C 0.637(2) 0.2357(11) 0.7994(14) 0.068(9) Uani 1 1 d D . .
H16A H 0.5767 0.2151 0.7734 0.088 Uiso 1 1 calc R . .
H16B H 0.6683 0.2126 0.8368 0.088 Uiso 1 1 calc R . .
H16C H 0.6934 0.2435 0.7733 0.088 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 2.785(2) . ?
Ag1 I4 2.833(2) . ?
Ag1 I1 2.902(2) . ?
Ag1 I3 2.920(2) . ?
Ag2 I6 2.772(2) . ?
Ag2 I2 2.792(2) . ?
Ag2 I5 2.867(2) . ?
Ag2 I1 2.942(2) . ?
Ag3 I8 2.748(2) . ?
Ag3 I5 2.810(2) . ?
Ag3 I1 2.909(2) . ?
Ag3 I7 2.938(3) . ?
Ag4 I9 2.747(2) . ?
Ag4 I1 2.868(2) . ?
Ag4 I7 2.876(2) . ?
Ag4 I3 2.963(2) . ?
Ag5 I5 2.817(2) . ?
Ag5 I3 2.869(2) . ?
Ag5 I7 2.870(2) . ?
Ag5 I3 2.980(2) 3_556 ?
Ag6 I6 2.742(2) . ?
Ag6 I10 2.922(2) . ?
Ag6 I8 2.932(2) . ?
Ag6 I4 2.975(2) 4_565 ?
Ag7 I9 2.714(2) 4_565 ?
Ag7 I10 2.843(2) . ?
Ag7 I4 2.850(2) 4_565 ?
Ag7 I8 3.170(3) . ?
I3 Ag5 2.980(2) 3_556 ?
I4 Ag7 2.850(2) 4_566 ?
I4 Ag6 2.975(2) 4_566 ?
I9 Ag7 2.714(2) 4_566 ?
Eu1 O6 2.331(12) . ?
Eu1 O5 2.334(12) . ?
Eu1 O1 2.345(13) . ?
Eu1 O4 2.359(12) . ?
Eu1 O7 2.412(12) . ?
Eu1 O8 2.422(12) . ?
Eu1 O3 2.432(11) . ?
Eu1 O2 2.446(13) . ?
O1 S1 1.508(14) . ?
O2 S2 1.490(14) . ?
O3 S3 1.498(12) . ?
O4 S4 1.478(13) . ?
O5 S5 1.518(12) . ?
O6 S6 1.520(13) . ?
O7 S7 1.503(13) . ?
O8 S8 1.507(11) . ?
S1 C1 1.68(3) . ?
S1 C2 1.74(2) . ?
S2 C4 1.765(17) . ?
S2 C3 1.783(17) . ?
S3 C5 1.74(2) . ?
S3 C6 1.789(15) . ?
S4 C7 1.74(3) . ?
S4 C8 1.75(3) . ?
S5 C10 1.76(2) . ?
S5 C9 1.777(15) . ?
S6 C11 1.74(3) . ?
S6 C12 1.769(15) . ?
S7 C14 1.764(17) . ?
S7 C13 1.776(16) . ?
S8 C15 1.70(3) . ?
S8 C16 1.762(18) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 H1C 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 H2C 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 H3C 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 H4C 0.9700 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 H7C 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 H10C 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?

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 113.76(7) . . ?
I2 Ag1 I1 113.46(7) . . ?
I4 Ag1 I1 94.41(6) . . ?
I2 Ag1 I3 107.72(7) . . ?
I4 Ag1 I3 119.47(7) . . ?
I1 Ag1 I3 107.41(6) . . ?
I6 Ag2 I2 117.72(7) . . ?
I6 Ag2 I5 112.86(7) . . ?
I2 Ag2 I5 109.93(7) . . ?
I6 Ag2 I1 101.72(7) . . ?
I2 Ag2 I1 112.04(6) . . ?
I5 Ag2 I1 101.03(6) . . ?
I8 Ag3 I5 122.99(8) . . ?
I8 Ag3 I1 107.42(8) . . ?
I5 Ag3 I1 103.24(7) . . ?
I8 Ag3 I7 115.08(8) . . ?
I5 Ag3 I7 103.01(8) . . ?
I1 Ag3 I7 102.81(7) . . ?
I9 Ag4 I1 107.71(7) . . ?
I9 Ag4 I7 119.17(7) . . ?
I1 Ag4 I7 105.44(7) . . ?
I9 Ag4 I3 107.73(7) . . ?
I1 Ag4 I3 107.17(7) . . ?
I7 Ag4 I3 109.04(7) . . ?
I5 Ag5 I3 122.11(8) . . ?
I5 Ag5 I7 104.58(7) . . ?
I3 Ag5 I7 111.90(7) . . ?
I5 Ag5 I3 110.51(7) . 3_556 ?
I3 Ag5 I3 100.75(7) . 3_556 ?
I7 Ag5 I3 106.12(7) . 3_556 ?
I6 Ag6 I10 113.24(8) . . ?
I6 Ag6 I8 131.79(7) . . ?
I10 Ag6 I8 94.60(6) . . ?
I6 Ag6 I4 114.79(7) . 4_565 ?
I10 Ag6 I4 99.87(6) . 4_565 ?
I8 Ag6 I4 96.88(6) . 4_565 ?
I9 Ag7 I10 123.99(8) 4_565 . ?
I9 Ag7 I4 125.97(8) 4_565 4_565 ?
I10 Ag7 I4 104.88(7) . 4_565 ?
I9 Ag7 I8 105.33(8) 4_565 . ?
I10 Ag7 I8 91.18(7) . . ?
I4 Ag7 I8 94.31(7) 4_565 . ?
Ag4 I1 Ag1 71.07(6) . . ?
Ag4 I1 Ag3 74.42(6) . . ?
Ag1 I1 Ag3 110.34(6) . . ?
Ag4 I1 Ag2 107.74(6) . . ?
Ag1 I1 Ag2 63.86(5) . . ?
Ag3 I1 Ag2 72.43(6) . . ?
Ag1 I2 Ag2 67.31(6) . . ?
Ag5 I3 Ag1 92.86(6) . . ?
Ag5 I3 Ag4 63.11(6) . . ?
Ag1 I3 Ag4 69.51(6) . . ?
Ag5 I3 Ag5 79.25(7) . 3_556 ?
Ag1 I3 Ag5 154.46(7) . 3_556 ?
Ag4 I3 Ag5 125.38(7) . 3_556 ?
Ag1 I4 Ag7 90.43(7) . 4_566 ?
Ag1 I4 Ag6 141.13(8) . 4_566 ?
Ag7 I4 Ag6 60.92(5) 4_566 4_566 ?
Ag3 I5 Ag5 71.93(7) . . ?
Ag3 I5 Ag2 75.04(6) . . ?
Ag5 I5 Ag2 98.02(6) . . ?
Ag6 I6 Ag2 94.95(7) . . ?
Ag5 I7 Ag4 64.20(6) . . ?
Ag5 I7 Ag3 69.35(6) . . ?
Ag4 I7 Ag3 73.88(6) . . ?
Ag3 I8 Ag6 84.34(7) . . ?
Ag3 I8 Ag7 127.09(7) . . ?
Ag6 I8 Ag7 57.77(5) . . ?
Ag7 I9 Ag4 95.25(7) 4_566 . ?
Ag7 I10 Ag6 61.65(6) . . ?
O6 Eu1 O5 141.2(4) . . ?
O6 Eu1 O1 69.8(5) . . ?
O5 Eu1 O1 148.9(4) . . ?
O6 Eu1 O4 87.8(4) . . ?
O5 Eu1 O4 102.0(5) . . ?
O1 Eu1 O4 76.9(5) . . ?
O6 Eu1 O7 76.3(4) . . ?
O5 Eu1 O7 76.5(4) . . ?
O1 Eu1 O7 120.3(5) . . ?
O4 Eu1 O7 149.0(5) . . ?
O6 Eu1 O8 75.5(4) . . ?
O5 Eu1 O8 72.1(4) . . ?
O1 Eu1 O8 133.9(5) . . ?
O4 Eu1 O8 72.3(5) . . ?
O7 Eu1 O8 77.9(4) . . ?
O6 Eu1 O3 146.4(4) . . ?
O5 Eu1 O3 71.9(4) . . ?
O1 Eu1 O3 77.9(5) . . ?
O4 Eu1 O3 75.9(4) . . ?
O7 Eu1 O3 130.3(4) . . ?
O8 Eu1 O3 124.8(5) . . ?
O6 Eu1 O2 107.1(5) . . ?
O5 Eu1 O2 88.3(4) . . ?
O1 Eu1 O2 75.7(5) . . ?
O4 Eu1 O2 141.6(5) . . ?
O7 Eu1 O2 69.3(4) . . ?
O8 Eu1 O2 145.0(4) . . ?
O3 Eu1 O2 72.5(5) . . ?
S1 O1 Eu1 140.9(8) . . ?
S2 O2 Eu1 120.3(8) . . ?
S3 O3 Eu1 125.3(6) . . ?
S4 O4 Eu1 145.3(9) . . ?
S5 O5 Eu1 128.6(7) . . ?
S6 O6 Eu1 138.5(8) . . ?
S7 O7 Eu1 127.5(7) . . ?
S8 O8 Eu1 135.9(8) . . ?
O1 S1 C1 106.7(13) . . ?
O1 S1 C2 104.2(11) . . ?
C1 S1 C2 99.3(14) . . ?
O2 S2 C4 108.3(13) . . ?
O2 S2 C3 103.2(11) . . ?
C4 S2 C3 101.6(13) . . ?
O3 S3 C5 105.9(9) . . ?
O3 S3 C6 101.4(10) . . ?
C5 S3 C6 98.3(11) . . ?
O4 S4 C7 109.1(13) . . ?
O4 S4 C8 106.7(11) . . ?
C7 S4 C8 97.4(14) . . ?
O5 S5 C10 103.9(9) . . ?
O5 S5 C9 102.8(9) . . ?
C10 S5 C9 99.0(12) . . ?
O6 S6 C11 104.7(11) . . ?
O6 S6 C12 106.3(9) . . ?
C11 S6 C12 98.2(12) . . ?
O7 S7 C14 106.5(10) . . ?
O7 S7 C13 102.7(9) . . ?
C14 S7 C13 98.8(12) . . ?
O8 S8 C15 106.7(9) . . ?
O8 S8 C16 100.7(10) . . ?
C15 S8 C16 100.4(18) . . ?
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 . . ?
S7 C13 H13A 109.5 . . ?
S7 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
S7 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
S7 C14 H14A 109.5 . . ?
S7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
S7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
S8 C15 H15A 109.5 . . ?
S8 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
S8 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
S8 C16 H16A 109.5 . . ?
S8 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
S8 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
I9 Ag4 I1 Ag1 -98.77(7) . . . . ?
I7 Ag4 I1 Ag1 132.99(7) . . . . ?
I3 Ag4 I1 Ag1 16.91(6) . . . . ?
I9 Ag4 I1 Ag3 142.74(8) . . . . ?
I7 Ag4 I1 Ag3 14.50(6) . . . . ?
I3 Ag4 I1 Ag3 -101.58(7) . . . . ?
I9 Ag4 I1 Ag2 -151.98(7) . . . . ?
I7 Ag4 I1 Ag2 79.78(8) . . . . ?
I3 Ag4 I1 Ag2 -36.30(8) . . . . ?
I2 Ag1 I1 Ag4 -136.13(8) . . . . ?
I4 Ag1 I1 Ag4 105.58(6) . . . . ?
I3 Ag1 I1 Ag4 -17.19(6) . . . . ?
I2 Ag1 I1 Ag3 -71.59(9) . . . . ?
I4 Ag1 I1 Ag3 170.12(7) . . . . ?
I3 Ag1 I1 Ag3 47.35(8) . . . . ?
I2 Ag1 I1 Ag2 -14.31(7) . . . . ?
I4 Ag1 I1 Ag2 -132.60(7) . . . . ?
I3 Ag1 I1 Ag2 104.63(7) . . . . ?
I8 Ag3 I1 Ag4 -135.81(8) . . . . ?
I5 Ag3 I1 Ag4 92.88(8) . . . . ?
I7 Ag3 I1 Ag4 -14.02(6) . . . . ?
I8 Ag3 I1 Ag1 161.74(7) . . . . ?
I5 Ag3 I1 Ag1 30.44(10) . . . . ?
I7 Ag3 I1 Ag1 -76.47(8) . . . . ?
I8 Ag3 I1 Ag2 109.35(8) . . . . ?
I5 Ag3 I1 Ag2 -21.96(7) . . . . ?
I7 Ag3 I1 Ag2 -128.86(7) . . . . ?
I6 Ag2 I1 Ag4 -161.71(6) . . . . ?
I2 Ag2 I1 Ag4 71.68(8) . . . . ?
I5 Ag2 I1 Ag4 -45.30(7) . . . . ?
I6 Ag2 I1 Ag1 140.74(7) . . . . ?
I2 Ag2 I1 Ag1 14.12(7) . . . . ?
I5 Ag2 I1 Ag1 -102.86(7) . . . . ?
I6 Ag2 I1 Ag3 -95.10(7) . . . . ?
I2 Ag2 I1 Ag3 138.28(9) . . . . ?
I5 Ag2 I1 Ag3 21.31(7) . . . . ?
I4 Ag1 I2 Ag2 121.09(8) . . . . ?
I1 Ag1 I2 Ag2 14.68(7) . . . . ?
I3 Ag1 I2 Ag2 -104.08(7) . . . . ?
I6 Ag2 I2 Ag1 -131.73(9) . . . . ?
I5 Ag2 I2 Ag1 97.17(7) . . . . ?
I1 Ag2 I2 Ag1 -14.32(7) . . . . ?
I5 Ag5 I3 Ag1 -32.83(9) . . . . ?
I7 Ag5 I3 Ag1 92.09(8) . . . . ?
I3 Ag5 I3 Ag1 -155.52(7) 3_556 . . . ?
I5 Ag5 I3 Ag4 -98.11(9) . . . . ?
I7 Ag5 I3 Ag4 26.81(7) . . . . ?
I3 Ag5 I3 Ag4 139.20(8) 3_556 . . . ?
I5 Ag5 I3 Ag5 122.68(10) . . . 3_556 ?
I7 Ag5 I3 Ag5 -112.39(9) . . . 3_556 ?
I3 Ag5 I3 Ag5 0.0 3_556 . . 3_556 ?
I2 Ag1 I3 Ag5 79.49(7) . . . . ?
I4 Ag1 I3 Ag5 -148.72(7) . . . . ?
I1 Ag1 I3 Ag5 -43.07(7) . . . . ?
I2 Ag1 I3 Ag4 139.35(7) . . . . ?
I4 Ag1 I3 Ag4 -88.85(8) . . . . ?
I1 Ag1 I3 Ag4 16.79(6) . . . . ?
I2 Ag1 I3 Ag5 8.67(18) . . . 3_556 ?
I4 Ag1 I3 Ag5 140.46(14) . . . 3_556 ?
I1 Ag1 I3 Ag5 -113.89(15) . . . 3_556 ?
I9 Ag4 I3 Ag5 -156.89(9) . . . . ?
I1 Ag4 I3 Ag5 87.45(7) . . . . ?
I7 Ag4 I3 Ag5 -26.22(7) . . . . ?
I9 Ag4 I3 Ag1 98.69(7) . . . . ?
I1 Ag4 I3 Ag1 -16.98(6) . . . . ?
I7 Ag4 I3 Ag1 -130.65(7) . . . . ?
I9 Ag4 I3 Ag5 -104.95(9) . . . 3_556 ?
I1 Ag4 I3 Ag5 139.38(7) . . . 3_556 ?
I7 Ag4 I3 Ag5 25.71(11) . . . 3_556 ?
I2 Ag1 I4 Ag7 159.86(8) . . . 4_566 ?
I1 Ag1 I4 Ag7 -82.10(7) . . . 4_566 ?
I3 Ag1 I4 Ag7 30.75(9) . . . 4_566 ?
I2 Ag1 I4 Ag6 119.77(11) . . . 4_566 ?
I1 Ag1 I4 Ag6 -122.18(10) . . . 4_566 ?
I3 Ag1 I4 Ag6 -9.34(15) . . . 4_566 ?
I8 Ag3 I5 Ag5 157.13(11) . . . . ?
I1 Ag3 I5 Ag5 -81.58(7) . . . . ?
I7 Ag3 I5 Ag5 25.17(6) . . . . ?
I8 Ag3 I5 Ag2 -99.04(10) . . . . ?
I1 Ag3 I5 Ag2 22.25(7) . . . . ?
I7 Ag3 I5 Ag2 129.00(7) . . . . ?
I3 Ag5 I5 Ag3 102.18(9) . . . . ?
I7 Ag5 I5 Ag3 -26.00(7) . . . . ?
I3 Ag5 I5 Ag3 -139.80(8) 3_556 . . . ?
I3 Ag5 I5 Ag2 30.86(10) . . . . ?
I7 Ag5 I5 Ag2 -97.32(7) . . . . ?
I3 Ag5 I5 Ag2 148.87(7) 3_556 . . . ?
I6 Ag2 I5 Ag3 86.07(8) . . . . ?
I2 Ag2 I5 Ag3 -140.31(8) . . . . ?
I1 Ag2 I5 Ag3 -21.80(7) . . . . ?
I6 Ag2 I5 Ag5 154.86(7) . . . . ?
I2 Ag2 I5 Ag5 -71.53(8) . . . . ?
I1 Ag2 I5 Ag5 46.99(7) . . . . ?
I10 Ag6 I6 Ag2 -161.43(7) . . . . ?
I8 Ag6 I6 Ag2 -41.38(11) . . . . ?
I4 Ag6 I6 Ag2 84.76(9) 4_565 . . . ?
I2 Ag2 I6 Ag6 -167.37(8) . . . . ?
I5 Ag2 I6 Ag6 -37.62(8) . . . . ?
I1 Ag2 I6 Ag6 69.81(7) . . . . ?
I5 Ag5 I7 Ag4 106.73(8) . . . . ?
I3 Ag5 I7 Ag4 -27.41(7) . . . . ?
I3 Ag5 I7 Ag4 -136.40(8) 3_556 . . . ?
I5 Ag5 I7 Ag3 25.20(6) . . . . ?
I3 Ag5 I7 Ag3 -108.94(8) . . . . ?
I3 Ag5 I7 Ag3 142.07(7) 3_556 . . . ?
I9 Ag4 I7 Ag5 150.12(10) . . . . ?
I1 Ag4 I7 Ag5 -88.84(7) . . . . ?
I3 Ag4 I7 Ag5 25.95(7) . . . . ?
I9 Ag4 I7 Ag3 -135.43(9) . . . . ?
I1 Ag4 I7 Ag3 -14.39(6) . . . . ?
I3 Ag4 I7 Ag3 100.40(7) . . . . ?
I8 Ag3 I7 Ag5 -161.57(8) . . . . ?
I5 Ag3 I7 Ag5 -25.10(6) . . . . ?
I1 Ag3 I7 Ag5 81.98(7) . . . . ?
I8 Ag3 I7 Ag4 130.47(8) . . . . ?
I5 Ag3 I7 Ag4 -93.06(7) . . . . ?
I1 Ag3 I7 Ag4 14.02(6) . . . . ?
I5 Ag3 I8 Ag6 43.53(10) . . . . ?
I1 Ag3 I8 Ag6 -75.80(8) . . . . ?
I7 Ag3 I8 Ag6 170.41(8) . . . . ?
I5 Ag3 I8 Ag7 1.85(15) . . . . ?
I1 Ag3 I8 Ag7 -117.48(8) . . . . ?
I7 Ag3 I8 Ag7 128.72(8) . . . . ?
I6 Ag6 I8 Ag3 40.48(11) . . . . ?
I10 Ag6 I8 Ag3 167.54(7) . . . . ?
I4 Ag6 I8 Ag3 -91.92(7) 4_565 . . . ?
I6 Ag6 I8 Ag7 -178.36(12) . . . . ?
I10 Ag6 I8 Ag7 -51.30(6) . . . . ?
I4 Ag6 I8 Ag7 49.25(6) 4_565 . . . ?
I9 Ag7 I8 Ag3 -129.59(9) 4_565 . . . ?
I10 Ag7 I8 Ag3 104.57(9) . . . . ?
I4 Ag7 I8 Ag3 -0.44(11) 4_565 . . . ?
I9 Ag7 I8 Ag6 178.93(9) 4_565 . . . ?
I10 Ag7 I8 Ag6 53.10(6) . . . . ?
I4 Ag7 I8 Ag6 -51.92(6) 4_565 . . . ?
I1 Ag4 I9 Ag7 65.88(9) . . . 4_566 ?
I7 Ag4 I9 Ag7 -174.23(9) . . . 4_566 ?
I3 Ag4 I9 Ag7 -49.43(9) . . . 4_566 ?
I9 Ag7 I10 Ag6 -159.90(12) 4_565 . . . ?
I4 Ag7 I10 Ag6 44.31(7) 4_565 . . . ?
I8 Ag7 I10 Ag6 -50.46(6) . . . . ?
I6 Ag6 I10 Ag7 -163.58(9) . . . . ?
I8 Ag6 I10 Ag7 56.77(6) . . . . ?
I4 Ag6 I10 Ag7 -41.05(7) 4_565 . . . ?
O6 Eu1 O1 S1 176.7(15) . . . . ?
O5 Eu1 O1 S1 1(2) . . . . ?
O4 Eu1 O1 S1 -90.8(14) . . . . ?
O7 Eu1 O1 S1 117.2(13) . . . . ?
O8 Eu1 O1 S1 -139.8(12) . . . . ?
O3 Eu1 O1 S1 -12.7(13) . . . . ?
O2 Eu1 O1 S1 62.0(14) . . . . ?
O6 Eu1 O2 S2 11.2(10) . . . . ?
O5 Eu1 O2 S2 -132.6(9) . . . . ?
O1 Eu1 O2 S2 74.3(9) . . . . ?
O4 Eu1 O2 S2 120.1(9) . . . . ?
O7 Eu1 O2 S2 -56.4(9) . . . . ?
O8 Eu1 O2 S2 -77.8(12) . . . . ?
O3 Eu1 O2 S2 155.9(10) . . . . ?
O6 Eu1 O3 S3 139.6(9) . . . . ?
O5 Eu1 O3 S3 -49.2(10) . . . . ?
O1 Eu1 O3 S3 123.5(11) . . . . ?
O4 Eu1 O3 S3 -157.2(11) . . . . ?
O7 Eu1 O3 S3 3.9(14) . . . . ?
O8 Eu1 O3 S3 -100.9(10) . . . . ?
O2 Eu1 O3 S3 44.8(10) . . . . ?
O6 Eu1 O4 S4 -134.1(16) . . . . ?
O5 Eu1 O4 S4 8.0(16) . . . . ?
O1 Eu1 O4 S4 156.1(16) . . . . ?
O7 Eu1 O4 S4 -75.7(17) . . . . ?
O8 Eu1 O4 S4 -58.6(15) . . . . ?
O3 Eu1 O4 S4 75.6(15) . . . . ?
O2 Eu1 O4 S4 110.7(16) . . . . ?
O6 Eu1 O5 S5 -17.7(14) . . . . ?
O1 Eu1 O5 S5 156.0(8) . . . . ?
O4 Eu1 O5 S5 -119.4(9) . . . . ?
O7 Eu1 O5 S5 28.9(9) . . . . ?
O8 Eu1 O5 S5 -52.6(9) . . . . ?
O3 Eu1 O5 S5 170.1(11) . . . . ?
O2 Eu1 O5 S5 97.9(10) . . . . ?
O5 Eu1 O6 S6 -169.6(9) . . . . ?
O1 Eu1 O6 S6 13.9(11) . . . . ?
O4 Eu1 O6 S6 -63.0(12) . . . . ?
O7 Eu1 O6 S6 143.8(13) . . . . ?
O8 Eu1 O6 S6 -135.3(13) . . . . ?
O3 Eu1 O6 S6 -3.0(18) . . . . ?
O2 Eu1 O6 S6 81.0(12) . . . . ?
O6 Eu1 O7 S7 36.5(10) . . . . ?
O5 Eu1 O7 S7 -115.5(11) . . . . ?
O1 Eu1 O7 S7 92.9(11) . . . . ?
O4 Eu1 O7 S7 -24.6(16) . . . . ?
O8 Eu1 O7 S7 -41.3(10) . . . . ?
O3 Eu1 O7 S7 -166.9(9) . . . . ?
O2 Eu1 O7 S7 151.1(11) . . . . ?
O6 Eu1 O8 S8 1.8(9) . . . . ?
O5 Eu1 O8 S8 160.0(10) . . . . ?
O1 Eu1 O8 S8 -40.1(12) . . . . ?
O4 Eu1 O8 S8 -90.6(10) . . . . ?
O7 Eu1 O8 S8 80.6(10) . . . . ?
O3 Eu1 O8 S8 -148.4(8) . . . . ?
O2 Eu1 O8 S8 101.0(11) . . . . ?
Eu1 O1 S1 C1 82.0(17) . . . . ?
Eu1 O1 S1 C2 -173.6(15) . . . . ?
Eu1 O2 S2 C4 122.4(11) . . . . ?
Eu1 O2 S2 C3 -130.4(12) . . . . ?
Eu1 O3 S3 C5 -113.3(10) . . . . ?
Eu1 O3 S3 C6 144.5(12) . . . . ?
Eu1 O4 S4 C7 -103.2(18) . . . . ?
Eu1 O4 S4 C8 1(2) . . . . ?
Eu1 O5 S5 C10 150.5(11) . . . . ?
Eu1 O5 S5 C9 -106.6(12) . . . . ?
Eu1 O6 S6 C11 73.3(16) . . . . ?
Eu1 O6 S6 C12 176.7(12) . . . . ?
Eu1 O7 S7 C14 -103.6(12) . . . . ?
Eu1 O7 S7 C13 153.1(12) . . . . ?
Eu1 O8 S8 C15 108.1(16) . . . . ?
Eu1 O8 S8 C16 -147.5(14) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         2.403
_refine_diff_density_min         -1.194
_refine_diff_density_rms         0.176
####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 1580608'
_audit_update_record             
;
2017-10-18 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H48 Dy O8 S8, Ag7 I10'
_chemical_formula_sum            'C16 H48 Ag7 Dy I10 O8 S8'
_chemical_formula_weight         2811.61

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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

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                   12.426(3)
_cell_length_b                   23.378(5)
_cell_length_c                   20.998(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.61(3)
_cell_angle_gamma                90.00
_cell_volume                     6014(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    253(2)
_cell_measurement_reflns_used    20263
_cell_measurement_theta_min      3.08
_cell_measurement_theta_max      25.35


_exptl_crystal_description       Block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.105
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5044
_exptl_absorpt_coefficient_mu    8.895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0625
_exptl_absorpt_correction_T_max  0.2692
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      253(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  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.31
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            57756
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_av_sigmaI/netI    0.0512
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.08
_diffrn_reflns_theta_max         25.35
_reflns_number_total             10968
_reflns_number_gt                9201
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0547P)²+99.9519P] 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     SHELXL
_refine_ls_extinction_coef       0.00092(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         10968
_refine_ls_number_parameters     426
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0339
_refine_ls_wR_factor_ref         0.0991
_refine_ls_wR_factor_gt          0.0806
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_restrained_S_all      1.127
_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 0.40722(13) 0.15543(7) 1.12300(7) 0.0724(4) Uani 1 1 d . . .
Ag2 Ag 0.35606(13) 0.22812(6) 0.99550(8) 0.0745(4) Uani 1 1 d . . .
Ag3 Ag 0.61637(16) 0.20866(8) 0.96253(9) 0.0771(6) Uani 1 1 d . . .
Ag4 Ag 0.66055(15) 0.12430(8) 1.10135(8) 0.0782(5) Uani 1 1 d . . .
Ag5 Ag 0.53796(14) 0.07233(8) 0.97439(8) 0.0775(5) Uani 1 1 d . . .
Ag6 Ag 0.48868(14) 0.34873(8) 0.88850(8) 0.0833(5) Uani 1 1 d . . .
Ag7 Ag 0.61606(15) 0.37709(9) 0.78591(10) 0.0834(6) Uani 1 1 d . . .
I1 I 0.56567(9) 0.23657(5) 1.08817(5) 0.0679(3) Uani 1 1 d . . .
I2 I 0.19713(10) 0.17213(6) 1.05193(7) 0.0751(4) Uani 1 1 d . . .
I3 I 0.47809(10) 0.03983(5) 1.09510(6) 0.0652(3) Uani 1 1 d . . .
I4 I 0.42171(9) 0.15804(5) 0.89650(6) 0.0622(3) Uani 1 1 d . . .
I5 I 0.31940(10) 0.34053(5) 0.95680(6) 0.0651(3) Uani 1 1 d . . .
I6 I 0.76364(10) 0.10777(5) 0.99003(6) 0.0664(3) Uani 1 1 d . . .
I7 I 0.71067(9) 0.30198(6) 0.91488(6) 0.0666(3) Uani 1 1 d . . .
I8 I 0.78802(10) 0.11596(6) 1.22174(6) 0.0728(4) Uani 1 1 d . . .
I9 I 0.55327(12) 0.46537(5) 0.86392(8) 0.0802(4) Uani 1 1 d . . .
I10 I 0.42814(10) 0.30677(6) 0.75232(5) 0.0721(3) Uani 1 1 d . . .
Dy1 Dy 0.04202(5) 0.58964(3) 0.78396(3) 0.05447(19) Uani 1 1 d . . .
O1 O -0.0128(9) 0.6792(5) 0.7331(5) 0.061(3) Uani 1 1 d . . .
O2 O 0.1737(11) 0.6147(6) 0.7237(9) 0.072(5) Uani 1 1 d . . .
O3 O -0.0824(9) 0.5669(5) 0.6902(6) 0.061(3) Uani 1 1 d . . .
O4 O -0.1333(8) 0.6076(5) 0.8138(5) 0.062(3) Uani 1 1 d . . .
O5 O 0.0780(8) 0.6585(4) 0.8639(5) 0.053(3) Uani 1 1 d . . .
O6 O 0.0110(15) 0.5206(7) 0.8625(8) 0.074(18) Uani 1 1 d . . .
O7 O 0.2134(11) 0.5690(6) 0.8484(6) 0.071(4) Uani 1 1 d . . .
O8 O 0.0930(10) 0.5033(5) 0.7413(6) 0.075(4) Uani 1 1 d . . .
S1 S -0.0887(4) 0.6998(2) 0.6759(3) 0.0792(14) Uani 1 1 d D . .
S2 S 0.2442(6) 0.6570(3) 0.6998(3) 0.0745(2) Uani 1 1 d . . .
S3 S -0.0905(4) 0.5231(2) 0.6372(2) 0.0653(11) Uani 1 1 d . . .
S4 S -0.2370(5) 0.6263(3) 0.7750(4) 0.0741(2) Uani 1 1 d . . .
S5 S 0.0046(3) 0.70423(17) 0.88368(19) 0.0608(9) Uani 1 1 d . . .
S6 S -0.0817(6) 0.4847(3) 0.8615(3) 0.0844(18) Uani 1 1 d D . .
S7 S 0.2444(4) 0.5684(2) 0.9218(2) 0.0664(12) Uani 1 1 d D . .
S8 S 0.1708(7) 0.4564(3) 0.7578(4) 0.0790(3) Uani 1 1 d . . .
C1 C -0.009(2) 0.7294(15) 0.6245(12) 0.081(14) Uani 1 1 d D . .
H1A H 0.0185 0.7659 0.6410 0.094 Uiso 1 1 calc R . .
H1B H -0.0516 0.7344 0.5824 0.094 Uiso 1 1 calc R . .
H1C H 0.0516 0.7044 0.6215 0.094 Uiso 1 1 calc R . .
C2 C -0.135(2) 0.7652(10) 0.7028(17) 0.086(13) Uani 1 1 d D . .
H2A H -0.1064 0.7700 0.7479 0.098 Uiso 1 1 calc R . .
H2B H -0.2133 0.7651 0.6966 0.098 Uiso 1 1 calc R . .
H2C H -0.1104 0.7960 0.6787 0.098 Uiso 1 1 calc R . .
C3 C 0.3725(19) 0.6309(12) 0.7181(12) 0.075(2) Uani 1 1 d . . .
H3A H 0.3873 0.6205 0.7630 0.088 Uiso 1 1 calc R . .
H3B H 0.4236 0.6595 0.7097 0.088 Uiso 1 1 calc R . .
H3C H 0.3795 0.5977 0.6921 0.088 Uiso 1 1 calc R . .
C4 C 0.263(2) 0.7129(11) 0.7549(11) 0.079(2) Uani 1 1 d . . .
H4A H 0.1977 0.7354 0.7508 0.098 Uiso 1 1 calc R . .
H4B H 0.3224 0.7365 0.7464 0.098 Uiso 1 1 calc R . .
H4C H 0.2799 0.6978 0.7979 0.098 Uiso 1 1 calc R . .
C5 C -0.2148(16) 0.5379(10) 0.5876(11) 0.092(7) Uani 1 1 d . . .
H5A H -0.2736 0.5242 0.6079 0.138 Uiso 1 1 calc R . .
H5B H -0.2170 0.5192 0.5467 0.138 Uiso 1 1 calc R . .
H5C H -0.2221 0.5784 0.5811 0.138 Uiso 1 1 calc R . .
C6 C -0.002(2) 0.5450(15) 0.5871(11) 0.084(12) Uani 1 1 d . . .
H6A H -0.0123 0.5849 0.5776 0.097 Uiso 1 1 calc R . .
H6B H -0.0150 0.5234 0.5477 0.097 Uiso 1 1 calc R . .
H6C H 0.0722 0.5387 0.6082 0.097 Uiso 1 1 calc R . .
C7 C -0.3142(16) 0.5634(10) 0.7543(12) 0.075(7) Uani 1 1 d . . .
H7A H -0.2657 0.5321 0.7501 0.093 Uiso 1 1 calc R . .
H7B H -0.3623 0.5691 0.7140 0.093 Uiso 1 1 calc R . .
H7C H -0.3563 0.5548 0.7875 0.093 Uiso 1 1 calc R . .
C8 C -0.3124(19) 0.6561(12) 0.8317(14) 0.085(11) Uani 1 1 d . . .
H8A H -0.3072 0.6314 0.8686 0.098 Uiso 1 1 calc R . .
H8B H -0.3876 0.6599 0.8120 0.098 Uiso 1 1 calc R . .
H8C H -0.2833 0.6930 0.8451 0.098 Uiso 1 1 calc R . .
C9 C -0.0188(18) 0.6816(9) 0.9606(10) 0.082(6) Uani 1 1 d . . .
H9A H -0.0571 0.6458 0.9565 0.124 Uiso 1 1 calc R . .
H9B H -0.0617 0.7098 0.9783 0.124 Uiso 1 1 calc R . .
H9C H 0.0499 0.6770 0.9888 0.124 Uiso 1 1 calc R . .
C10 C 0.0935(16) 0.7616(9) 0.9070(12) 0.076(7) Uani 1 1 d . . .
H10A H 0.1614 0.7473 0.9300 0.094 Uiso 1 1 calc R . .
H10B H 0.0613 0.7870 0.9345 0.094 Uiso 1 1 calc R . .
H10C H 0.1065 0.7820 0.8693 0.094 Uiso 1 1 calc R . .
C11 C -0.024(2) 0.4161(8) 0.8827(12) 0.074(18) Uani 1 1 d D . .
H11A H 0.0132 0.4026 0.8490 0.090 Uiso 1 1 calc R . .
H11B H -0.0807 0.3897 0.8884 0.090 Uiso 1 1 calc R . .
H11C H 0.0273 0.4190 0.9223 0.090 Uiso 1 1 calc R . .
C12 C -0.141(2) 0.4960(11) 0.9319(11) 0.079(18) Uani 1 1 d . . .
H12A H -0.1087 0.4703 0.9653 0.090 Uiso 1 1 calc R . .
H12B H -0.2181 0.4891 0.9220 0.090 Uiso 1 1 calc R . .
H12C H -0.1281 0.5348 0.9463 0.090 Uiso 1 1 calc R . .
C13 C 0.2881(17) 0.4988(8) 0.9433(10) 0.082(6) Uani 1 1 d . . .
H13A H 0.2268 0.4732 0.9358 0.093 Uiso 1 1 calc R . .
H13B H 0.3199 0.4979 0.9882 0.093 Uiso 1 1 calc R . .
H13C H 0.3414 0.4871 0.9177 0.093 Uiso 1 1 calc R . .
C14 C 0.3733(16) 0.6017(10) 0.9334(13) 0.081(8) Uani 1 1 d D . .
H14A H 0.4181 0.5842 0.9058 0.096 Uiso 1 1 calc R . .
H14B H 0.4075 0.5974 0.9777 0.096 Uiso 1 1 calc R . .
H14C H 0.3647 0.6416 0.9232 0.096 Uiso 1 1 calc R . .
C15 C 0.289(2) 0.4738(12) 0.7312(15) 0.084(3) Uani 1 1 d . . .
H15A H 0.2733 0.4862 0.6870 0.096 Uiso 1 1 calc R . .
H15B H 0.3363 0.4409 0.7343 0.096 Uiso 1 1 calc R . .
H15C H 0.3255 0.5041 0.7573 0.096 Uiso 1 1 calc R . .
C16 C 0.126(2) 0.3998(12) 0.7047(15) 0.085(3) Uani 1 1 d . . .
H16A H 0.1419 0.3640 0.7267 0.096 Uiso 1 1 calc R . .
H16B H 0.1627 0.4016 0.6680 0.096 Uiso 1 1 calc R . .
H16C H 0.0486 0.4030 0.6905 0.096 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 2.810(2) . ?
Ag1 I10 2.8261(19) 4_566 ?
Ag1 I1 2.9139(19) . ?
Ag1 I3 2.932(2) . ?
Ag2 I5 2.7658(19) . ?
Ag2 I2 2.793(2) . ?
Ag2 I4 2.870(2) . ?
Ag2 I1 2.986(2) . ?
Ag3 I7 2.743(2) . ?
Ag3 I4 2.838(2) . ?
Ag3 I1 2.887(2) . ?
Ag3 I6 2.982(3) . ?
Ag4 I8 2.757(2) . ?
Ag4 I1 2.872(2) . ?
Ag4 I6 2.873(2) . ?
Ag4 I3 2.993(2) . ?
Ag5 I4 2.826(2) . ?
Ag5 I3 2.861(2) . ?
Ag5 I6 2.890(2) . ?
Ag5 I3 2.991(2) 3_657 ?
Ag6 I5 2.743(2) . ?
Ag6 I9 2.913(2) . ?
Ag6 I7 2.933(2) . ?
Ag6 I10 2.998(2) . ?
Ag7 I8 2.715(2) 4_565 ?
Ag7 I9 2.825(2) . ?
Ag7 I10 2.847(2) . ?
I3 Ag5 2.991(2) 3_657 ?
I8 Ag7 2.715(2) 4_566 ?
I10 Ag1 2.826(2) 4_565 ?
Dy1 O2 2.305(12) . ?
Dy1 O5 2.315(10) . ?
Dy1 O8 2.338(11) . ?
Dy1 O3 2.352(11) . ?
Dy1 O7 2.374(12) . ?
Dy1 O6 2.385(15) . ?
Dy1 O1 2.398(10) . ?
Dy1 O4 2.403(10) . ?
O1 S1 1.477(11) . ?
O2 S2 1.465(14) . ?
O3 S3 1.503(11) . ?
O4 S4 1.471(12) . ?
O5 S5 1.508(10) . ?
O6 S6 1.423(17) . ?
O7 S7 1.524(13) . ?
O8 S8 1.464(13) . ?
S1 C1 1.731(15) . ?
S1 C2 1.759(16) . ?
S2 C3 1.69(3) . ?
S2 C4 1.73(3) . ?
S3 C6 1.73(3) . ?
S3 C5 1.75(2) . ?
S4 C7 1.77(2) . ?
S4 C8 1.77(2) . ?
S5 C10 1.756(19) . ?
S5 C9 1.77(2) . ?
S6 C12 1.78(2) . ?
S6 C11 1.783(16) . ?
S7 C13 1.751(18) . ?
S7 C14 1.762(16) . ?
S8 C15 1.71(3) . ?
S8 C16 1.76(3) . ?
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 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?

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 I10 113.28(7) . 4_566 ?
I2 Ag1 I1 112.52(6) . . ?
I10 Ag1 I1 94.59(6) 4_566 . ?
I2 Ag1 I3 107.79(6) . . ?
I10 Ag1 I3 119.85(7) 4_566 . ?
I1 Ag1 I3 108.17(6) . . ?
I5 Ag2 I2 118.46(7) . . ?
I5 Ag2 I4 112.48(6) . . ?
I2 Ag2 I4 110.27(7) . . ?
I5 Ag2 I1 102.21(6) . . ?
I2 Ag2 I1 110.87(6) . . ?
I4 Ag2 I1 100.79(6) . . ?
I7 Ag3 I4 122.31(8) . . ?
I7 Ag3 I1 108.98(7) . . ?
I4 Ag3 I1 104.03(7) . . ?
I7 Ag3 I6 114.45(8) . . ?
I4 Ag3 I6 102.13(7) . . ?
I1 Ag3 I6 102.84(7) . . ?
I8 Ag4 I1 108.47(7) . . ?
I8 Ag4 I6 118.07(7) . . ?
I1 Ag4 I6 106.03(6) . . ?
I8 Ag4 I3 107.97(7) . . ?
I1 Ag4 I3 107.64(7) . . ?
I6 Ag4 I3 108.24(7) . . ?
I4 Ag5 I3 121.17(7) . . ?
I4 Ag5 I6 104.78(7) . . ?
I3 Ag5 I6 111.50(7) . . ?
I4 Ag5 I3 110.68(7) . 3_657 ?
I3 Ag5 I3 101.15(6) . 3_657 ?
I6 Ag5 I3 106.92(7) . 3_657 ?
I5 Ag6 I9 114.59(7) . . ?
I5 Ag6 I7 130.87(7) . . ?
I9 Ag6 I7 95.97(6) . . ?
I5 Ag6 I10 112.56(7) . . ?
I9 Ag6 I10 99.78(6) . . ?
I7 Ag6 I10 97.85(7) . . ?
I8 Ag7 I9 124.10(8) 4_565 . ?
I8 Ag7 I10 126.35(8) 4_565 . ?
I9 Ag7 I10 105.73(7) . . ?
Ag4 I1 Ag3 74.51(6) . . ?
Ag4 I1 Ag1 70.40(6) . . ?
Ag3 I1 Ag1 109.99(6) . . ?
Ag4 I1 Ag2 107.57(6) . . ?
Ag3 I1 Ag2 71.90(6) . . ?
Ag1 I1 Ag2 64.41(5) . . ?
Ag2 I2 Ag1 68.30(5) . . ?
Ag5 I3 Ag1 93.63(6) . . ?
Ag5 I3 Ag5 78.85(6) . 3_657 ?
Ag1 I3 Ag5 155.20(7) . 3_657 ?
Ag5 I3 Ag4 63.67(6) . . ?
Ag1 I3 Ag4 68.51(5) . . ?
Ag5 I3 Ag4 126.02(6) 3_657 . ?
Ag5 I4 Ag3 72.62(6) . . ?
Ag5 I4 Ag2 99.50(6) . . ?
Ag3 I4 Ag2 74.35(6) . . ?
Ag6 I5 Ag2 96.72(6) . . ?
Ag4 I6 Ag5 64.85(6) . . ?
Ag4 I6 Ag3 73.05(6) . . ?
Ag5 I6 Ag3 69.65(6) . . ?
Ag3 I7 Ag6 85.39(7) . . ?
Ag7 I8 Ag4 94.10(7) 4_566 . ?
Ag7 I9 Ag6 61.95(6) . . ?
Ag1 I10 Ag7 89.86(7) 4_565 . ?
Ag1 I10 Ag6 141.48(7) 4_565 . ?
Ag7 I10 Ag6 60.65(6) . . ?
O2 Dy1 O5 98.8(5) . . ?
O2 Dy1 O8 75.3(5) . . ?
O5 Dy1 O8 147.8(4) . . ?
O2 Dy1 O3 91.4(6) . . ?
O5 Dy1 O3 141.7(4) . . ?
O8 Dy1 O3 70.5(4) . . ?
O2 Dy1 O7 73.3(6) . . ?
O5 Dy1 O7 71.4(4) . . ?
O8 Dy1 O7 76.6(4) . . ?
O3 Dy1 O7 146.4(4) . . ?
O2 Dy1 O6 139.8(6) . . ?
O5 Dy1 O6 90.2(5) . . ?
O8 Dy1 O6 76.5(6) . . ?
O3 Dy1 O6 105.5(5) . . ?
O7 Dy1 O6 72.6(6) . . ?
O2 Dy1 O1 73.0(5) . . ?
O5 Dy1 O1 73.9(4) . . ?
O8 Dy1 O1 131.2(4) . . ?
O3 Dy1 O1 74.1(4) . . ?
O7 Dy1 O1 126.3(5) . . ?
O6 Dy1 O1 146.4(5) . . ?
O2 Dy1 O4 148.9(5) . . ?
O5 Dy1 O4 76.3(4) . . ?
O8 Dy1 O4 124.5(4) . . ?
O3 Dy1 O4 76.1(4) . . ?
O7 Dy1 O4 130.7(4) . . ?
O6 Dy1 O4 71.3(5) . . ?
O1 Dy1 O4 76.2(4) . . ?
S1 O1 Dy1 137.9(7) . . ?
S2 O2 Dy1 151.6(11) . . ?
S3 O3 Dy1 136.6(7) . . ?
S4 O4 Dy1 131.0(7) . . ?
S5 O5 Dy1 129.8(6) . . ?
S6 O6 Dy1 127.8(10) . . ?
S7 O7 Dy1 129.0(8) . . ?
S8 O8 Dy1 140.1(8) . . ?
O1 S1 C1 106.3(11) . . ?
O1 S1 C2 102.7(13) . . ?
C1 S1 C2 96.1(17) . . ?
O2 S2 C3 105.8(11) . . ?
O2 S2 C4 107.7(11) . . ?
C3 S2 C4 95.9(13) . . ?
O3 S3 C6 106.2(11) . . ?
O3 S3 C5 104.5(8) . . ?
C6 S3 C5 99.8(13) . . ?
O4 S4 C7 106.2(9) . . ?
O4 S4 C8 104.9(11) . . ?
C7 S4 C8 99.6(13) . . ?
O5 S5 C10 103.7(8) . . ?
O5 S5 C9 103.8(8) . . ?
C10 S5 C9 99.5(11) . . ?
O6 S6 C12 110.2(11) . . ?
O6 S6 C11 103.6(12) . . ?
C12 S6 C11 97.6(12) . . ?
O7 S7 C13 106.5(9) . . ?
O7 S7 C14 101.9(11) . . ?
C13 S7 C14 98.0(12) . . ?
O8 S8 C15 108.4(12) . . ?
O8 S8 C16 106.7(12) . . ?
C15 S8 C16 99.9(14) . . ?
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 . . ?
S7 C13 H13A 109.5 . . ?
S7 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
S7 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
S7 C14 H14A 109.5 . . ?
S7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
S7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
S8 C15 H15A 109.5 . . ?
S8 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
S8 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
S8 C16 H16A 109.5 . . ?
S8 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
S8 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
I8 Ag4 I1 Ag3 142.67(8) . . . . ?
I6 Ag4 I1 Ag3 14.93(6) . . . . ?
I3 Ag4 I1 Ag3 -100.74(7) . . . . ?
I8 Ag4 I1 Ag1 -98.95(8) . . . . ?
I6 Ag4 I1 Ag1 133.31(7) . . . . ?
I3 Ag4 I1 Ag1 17.65(6) . . . . ?
I8 Ag4 I1 Ag2 -152.53(7) . . . . ?
I6 Ag4 I1 Ag2 79.72(7) . . . . ?
I3 Ag4 I1 Ag2 -35.94(8) . . . . ?
I7 Ag3 I1 Ag4 -135.99(8) . . . . ?
I4 Ag3 I1 Ag4 92.05(7) . . . . ?
I6 Ag3 I1 Ag4 -14.16(6) . . . . ?
I7 Ag3 I1 Ag1 162.12(7) . . . . ?
I4 Ag3 I1 Ag1 30.17(9) . . . . ?
I6 Ag3 I1 Ag1 -76.05(7) . . . . ?
I7 Ag3 I1 Ag2 109.17(8) . . . . ?
I4 Ag3 I1 Ag2 -22.79(6) . . . . ?
I6 Ag3 I1 Ag2 -129.00(6) . . . . ?
I2 Ag1 I1 Ag4 -137.04(7) . . . . ?
I10 Ag1 I1 Ag4 105.41(6) 4_566 . . . ?
I3 Ag1 I1 Ag4 -18.08(6) . . . . ?
I2 Ag1 I1 Ag3 -72.59(9) . . . . ?
I10 Ag1 I1 Ag3 169.87(6) 4_566 . . . ?
I3 Ag1 I1 Ag3 46.37(8) . . . . ?
I2 Ag1 I1 Ag2 -15.33(6) . . . . ?
I10 Ag1 I1 Ag2 -132.87(6) 4_566 . . . ?
I3 Ag1 I1 Ag2 103.63(7) . . . . ?
I5 Ag2 I1 Ag4 -160.38(6) . . . . ?
I2 Ag2 I1 Ag4 72.44(8) . . . . ?
I4 Ag2 I1 Ag4 -44.31(7) . . . . ?
I5 Ag2 I1 Ag3 -93.84(7) . . . . ?
I2 Ag2 I1 Ag3 138.98(8) . . . . ?
I4 Ag2 I1 Ag3 22.22(6) . . . . ?
I5 Ag2 I1 Ag1 142.42(7) . . . . ?
I2 Ag2 I1 Ag1 15.24(6) . . . . ?
I4 Ag2 I1 Ag1 -101.51(6) . . . . ?
I5 Ag2 I2 Ag1 -133.00(8) . . . . ?
I4 Ag2 I2 Ag1 95.41(7) . . . . ?
I1 Ag2 I2 Ag1 -15.35(6) . . . . ?
I10 Ag1 I2 Ag2 121.75(8) 4_566 . . . ?
I1 Ag1 I2 Ag2 15.92(6) . . . . ?
I3 Ag1 I2 Ag2 -103.26(7) . . . . ?
I4 Ag5 I3 Ag1 -33.47(8) . . . . ?
I6 Ag5 I3 Ag1 90.49(7) . . . . ?
I3 Ag5 I3 Ag1 -156.15(7) 3_657 . . . ?
I4 Ag5 I3 Ag5 122.68(9) . . . 3_657 ?
I6 Ag5 I3 Ag5 -113.36(9) . . . 3_657 ?
I3 Ag5 I3 Ag5 0.0 3_657 . . 3_657 ?
I4 Ag5 I3 Ag4 -97.30(9) . . . . ?
I6 Ag5 I3 Ag4 26.66(6) . . . . ?
I3 Ag5 I3 Ag4 140.02(7) 3_657 . . . ?
I2 Ag1 I3 Ag5 79.64(7) . . . . ?
I10 Ag1 I3 Ag5 -148.86(7) 4_566 . . . ?
I1 Ag1 I3 Ag5 -42.27(7) . . . . ?
I2 Ag1 I3 Ag5 8.58(17) . . . 3_657 ?
I10 Ag1 I3 Ag5 140.07(13) 4_566 . . 3_657 ?
I1 Ag1 I3 Ag5 -113.34(14) . . . 3_657 ?
I2 Ag1 I3 Ag4 139.47(7) . . . . ?
I10 Ag1 I3 Ag4 -89.04(8) 4_566 . . . ?
I1 Ag1 I3 Ag4 17.55(6) . . . . ?
I8 Ag4 I3 Ag5 -155.13(8) . . . . ?
I1 Ag4 I3 Ag5 87.96(7) . . . . ?
I6 Ag4 I3 Ag5 -26.24(6) . . . . ?
I8 Ag4 I3 Ag1 99.16(7) . . . . ?
I1 Ag4 I3 Ag1 -17.76(6) . . . . ?
I6 Ag4 I3 Ag1 -131.96(7) . . . . ?
I8 Ag4 I3 Ag5 -103.92(9) . . . 3_657 ?
I1 Ag4 I3 Ag5 139.16(7) . . . 3_657 ?
I6 Ag4 I3 Ag5 24.96(10) . . . 3_657 ?
I3 Ag5 I4 Ag3 101.23(8) . . . . ?
I6 Ag5 I4 Ag3 -25.82(7) . . . . ?
I3 Ag5 I4 Ag3 -140.74(8) 3_657 . . . ?
I3 Ag5 I4 Ag2 31.05(9) . . . . ?
I6 Ag5 I4 Ag2 -96.01(7) . . . . ?
I3 Ag5 I4 Ag2 149.08(6) 3_657 . . . ?
I7 Ag3 I4 Ag5 154.24(10) . . . . ?
I1 Ag3 I4 Ag5 -82.07(7) . . . . ?
I6 Ag3 I4 Ag5 24.67(6) . . . . ?
I7 Ag3 I4 Ag2 -100.25(10) . . . . ?
I1 Ag3 I4 Ag2 23.44(6) . . . . ?
I6 Ag3 I4 Ag2 130.18(7) . . . . ?
I5 Ag2 I4 Ag5 154.66(7) . . . . ?
I2 Ag2 I4 Ag5 -70.71(7) . . . . ?
I1 Ag2 I4 Ag5 46.49(7) . . . . ?
I5 Ag2 I4 Ag3 85.85(8) . . . . ?
I2 Ag2 I4 Ag3 -139.52(7) . . . . ?
I1 Ag2 I4 Ag3 -22.33(6) . . . . ?
I9 Ag6 I5 Ag2 -161.44(7) . . . . ?
I7 Ag6 I5 Ag2 -38.26(11) . . . . ?
I10 Ag6 I5 Ag2 85.45(8) . . . . ?
I2 Ag2 I5 Ag6 -169.02(7) . . . . ?
I4 Ag2 I5 Ag6 -38.42(8) . . . . ?
I1 Ag2 I5 Ag6 68.85(7) . . . . ?
I8 Ag4 I6 Ag5 148.64(9) . . . . ?
I1 Ag4 I6 Ag5 -89.56(7) . . . . ?
I3 Ag4 I6 Ag5 25.69(6) . . . . ?
I8 Ag4 I6 Ag3 -136.35(9) . . . . ?
I1 Ag4 I6 Ag3 -14.55(6) . . . . ?
I3 Ag4 I6 Ag3 100.70(7) . . . . ?
I4 Ag5 I6 Ag4 105.21(7) . . . . ?
I3 Ag5 I6 Ag4 -27.57(7) . . . . ?
I3 Ag5 I6 Ag4 -137.27(7) 3_657 . . . ?
I4 Ag5 I6 Ag3 24.96(6) . . . . ?
I3 Ag5 I6 Ag3 -107.83(7) . . . . ?
I3 Ag5 I6 Ag3 142.47(7) 3_657 . . . ?
I7 Ag3 I6 Ag4 132.30(8) . . . . ?
I4 Ag3 I6 Ag4 -93.40(7) . . . . ?
I1 Ag3 I6 Ag4 14.26(6) . . . . ?
I7 Ag3 I6 Ag5 -158.86(8) . . . . ?
I4 Ag3 I6 Ag5 -24.56(6) . . . . ?
I1 Ag3 I6 Ag5 83.10(7) . . . . ?
I4 Ag3 I7 Ag6 45.35(10) . . . . ?
I1 Ag3 I7 Ag6 -76.04(8) . . . . ?
I6 Ag3 I7 Ag6 169.46(7) . . . . ?
I5 Ag6 I7 Ag3 36.59(10) . . . . ?
I9 Ag6 I7 Ag3 166.66(7) . . . . ?
I10 Ag6 I7 Ag3 -92.57(7) . . . . ?
I1 Ag4 I8 Ag7 66.71(8) . . . 4_566 ?
I6 Ag4 I8 Ag7 -172.75(8) . . . 4_566 ?
I3 Ag4 I8 Ag7 -49.66(8) . . . 4_566 ?
I8 Ag7 I9 Ag6 -156.60(13) 4_565 . . . ?
I10 Ag7 I9 Ag6 44.28(7) . . . . ?
I5 Ag6 I9 Ag7 -160.82(10) . . . . ?
I7 Ag6 I9 Ag7 58.70(7) . . . . ?
I10 Ag6 I9 Ag7 -40.36(7) . . . . ?
I8 Ag7 I10 Ag1 -47.86(12) 4_565 . . 4_565 ?
I9 Ag7 I10 Ag1 110.65(8) . . . 4_565 ?
I8 Ag7 I10 Ag6 158.11(13) 4_565 . . . ?
I9 Ag7 I10 Ag6 -43.38(7) . . . . ?
I5 Ag6 I10 Ag1 117.83(10) . . . 4_565 ?
I9 Ag6 I10 Ag1 -4.10(12) . . . 4_565 ?
I7 Ag6 I10 Ag1 -101.59(11) . . . 4_565 ?
I5 Ag6 I10 Ag7 162.51(10) . . . . ?
I9 Ag6 I10 Ag7 40.58(7) . . . . ?
I7 Ag6 I10 Ag7 -56.91(7) . . . . ?
O2 Dy1 O1 S1 99.3(12) . . . . ?
O5 Dy1 O1 S1 -156.0(12) . . . . ?
O8 Dy1 O1 S1 47.5(13) . . . . ?
O3 Dy1 O1 S1 2.7(10) . . . . ?
O7 Dy1 O1 S1 152.7(10) . . . . ?
O6 Dy1 O1 S1 -91.4(14) . . . . ?
O4 Dy1 O1 S1 -76.5(11) . . . . ?
O5 Dy1 O2 S2 -29(2) . . . . ?
O8 Dy1 O2 S2 -177(2) . . . . ?
O3 Dy1 O2 S2 114(2) . . . . ?
O7 Dy1 O2 S2 -97(2) . . . . ?
O6 Dy1 O2 S2 -130(2) . . . . ?
O1 Dy1 O2 S2 41(2) . . . . ?
O4 Dy1 O2 S2 49(3) . . . . ?
O2 Dy1 O3 S3 65.5(11) . . . . ?
O5 Dy1 O3 S3 171.6(8) . . . . ?
O8 Dy1 O3 S3 -8.4(10) . . . . ?
O7 Dy1 O3 S3 4.2(16) . . . . ?
O6 Dy1 O3 S3 -77.6(11) . . . . ?
O1 Dy1 O3 S3 137.4(11) . . . . ?
O4 Dy1 O3 S3 -143.3(11) . . . . ?
O2 Dy1 O4 S4 38.5(16) . . . . ?
O5 Dy1 O4 S4 122.7(10) . . . . ?
O8 Dy1 O4 S4 -84.5(11) . . . . ?
O3 Dy1 O4 S4 -30.4(10) . . . . ?
O7 Dy1 O4 S4 172.7(9) . . . . ?
O6 Dy1 O4 S4 -142.3(11) . . . . ?
O1 Dy1 O4 S4 46.3(10) . . . . ?
O2 Dy1 O5 S5 121.0(9) . . . . ?
O8 Dy1 O5 S5 -162.7(8) . . . . ?
O3 Dy1 O5 S5 17.3(13) . . . . ?
O7 Dy1 O5 S5 -170.0(10) . . . . ?
O6 Dy1 O5 S5 -98.4(9) . . . . ?
O1 Dy1 O5 S5 51.6(8) . . . . ?
O4 Dy1 O5 S5 -27.7(8) . . . . ?
O2 Dy1 O6 S6 -128.9(14) . . . . ?
O5 Dy1 O6 S6 127.3(13) . . . . ?
O8 Dy1 O6 S6 -82.3(13) . . . . ?
O3 Dy1 O6 S6 -17.3(15) . . . . ?
O7 Dy1 O6 S6 -162.3(15) . . . . ?
O1 Dy1 O6 S6 67.1(17) . . . . ?
O4 Dy1 O6 S6 51.8(13) . . . . ?
O2 Dy1 O7 S7 151.6(12) . . . . ?
O5 Dy1 O7 S7 46.0(10) . . . . ?
O8 Dy1 O7 S7 -130.0(12) . . . . ?
O3 Dy1 O7 S7 -142.2(8) . . . . ?
O6 Dy1 O7 S7 -50.2(11) . . . . ?
O1 Dy1 O7 S7 98.4(12) . . . . ?
O4 Dy1 O7 S7 -5.7(15) . . . . ?
O2 Dy1 O8 S8 91.2(15) . . . . ?
O5 Dy1 O8 S8 8(2) . . . . ?
O3 Dy1 O8 S8 -171.8(16) . . . . ?
O7 Dy1 O8 S8 15.3(14) . . . . ?
O6 Dy1 O8 S8 -59.8(15) . . . . ?
O1 Dy1 O8 S8 142.2(13) . . . . ?
O4 Dy1 O8 S8 -115.3(14) . . . . ?
Dy1 O1 S1 C1 -114.7(16) . . . . ?
Dy1 O1 S1 C2 145.0(15) . . . . ?
Dy1 O2 S2 C3 126(2) . . . . ?
Dy1 O2 S2 C4 25(3) . . . . ?
Dy1 O3 S3 C6 -76.2(15) . . . . ?
Dy1 O3 S3 C5 178.8(12) . . . . ?
Dy1 O4 S4 C7 96.7(12) . . . . ?
Dy1 O4 S4 C8 -158.4(12) . . . . ?
Dy1 O5 S5 C10 -146.0(11) . . . . ?
Dy1 O5 S5 C9 110.4(11) . . . . ?
Dy1 O6 S6 C12 -122.6(14) . . . . ?
Dy1 O6 S6 C11 133.8(13) . . . . ?
Dy1 O7 S7 C13 119.5(11) . . . . ?
Dy1 O7 S7 C14 -138.3(13) . . . . ?
Dy1 O8 S8 C15 -88.3(17) . . . . ?
Dy1 O8 S8 C16 165.0(15) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.429
_refine_diff_density_min         -1.253
_refine_diff_density_rms         0.195
