# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_aaa

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C63 H132 Ag20 N2 O23 S10'
_chemical_formula_weight         3763.71

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

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

_cell_length_a                   12.947(5)
_cell_length_b                   15.169(5)
_cell_length_c                   15.922(5)
_cell_angle_alpha                67.605(5)
_cell_angle_beta                 82.355(5)
_cell_angle_gamma                65.089(5)
_cell_volume                     2620.7(16)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    15130
_cell_measurement_theta_min      1.59
_cell_measurement_theta_max      25.00

_exptl_crystal_description       polyhedron
_exptl_crystal_colour            lightyellow
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1808
_exptl_absorpt_coefficient_mu    3.896
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4307
_exptl_absorpt_correction_T_max  0.4548
_exptl_absorpt_process_details   'SADABS, Sheldrick (2008)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART Apex II CCD Detector'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15130
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_sigmaI/netI    0.1063
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.59
_diffrn_reflns_theta_max         25.00
_reflns_number_total             9186
_reflns_number_gt                5443
_reflns_threshold_expression     >2σ(I)

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
 The relatively high R1 and wR2 values in this structure are partially
 due to the total instability of the crystals towards loss of 
 initially  accumulated solvent and weak diffraction, and
 in part due to disordering of the solvent and anion.
 The occupancy factors of the disordered atoms as follows:
 C4A:C4B 0.6:0.4
 C8A:C8B 0.5:0.5
 C15A:C15B 0.8:0.2
 C22A:C22B 0.75:0.25
 C23A:C3B 0.3:0.7
 C26A:C26B 0.6:0.4
 To assist the refinement of this cluster, several restraints
 were applied: (1) some C-C bonds of disordered atoms were
 restrained to be similar (DFIX); 
 DFIX 1.55 0.02 C3 C4A C3 C4B C7 C8A C7 C8B
 DFIX 1.50 0.02 C13 C15A C13 C15B
 DFIX 1.45 0.02 C21 C22A C21 C22B C21 C23A C21 C23B
 DFIX 1.47 0.02 C25 C26A C25 C26B
 (2) Some atoms with ADP or NPD were restrained
 by the ISOR instructions.
 C2 C7 C9 C10 C13 C15B C16 O8 O11 C21 C25 C27
 C4A C4B C8A C8B C22A C22B C23A C23B C26A C26B
 (3) C7 - O8 with Hirshfeld Test Diff was restrained to have a close to the
 displacement parameters within a specified range by the DELU instruction. 
 DELU 0.01 C7 O8
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 2008)'
_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 > 2σ(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)+(0.0848P)²+0.0000P] 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         9186
_refine_ls_number_parameters     529
_refine_ls_number_restraints     145
_refine_ls_R_factor_all          0.1109
_refine_ls_R_factor_gt           0.0614
_refine_ls_wR_factor_ref         0.1765
_refine_ls_wR_factor_gt          0.1519
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_restrained_S_all      0.984
_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 -0.18887(10) 0.62699(9) 0.83924(8) 0.0468(3) Uani 1 1 d . . .
Ag2 Ag 0.04477(9) 0.39287(8) 0.85109(7) 0.0402(3) Uani 1 1 d . . .
Ag3 Ag 0.05648(11) 0.24453(9) 1.06904(7) 0.0492(3) Uani 1 1 d . . .
Ag4 Ag 0.13357(12) 0.61509(9) 0.82703(9) 0.0621(4) Uani 1 1 d . . .
Ag5 Ag -0.29081(10) 0.63301(8) 1.02098(7) 0.0450(3) Uani 1 1 d . . .
Ag6 Ag -0.21659(10) 0.84707(9) 0.75818(8) 0.0474(3) Uani 1 1 d . . .
Ag7 Ag -0.04038(11) 0.73314(8) 0.64992(8) 0.0494(3) Uani 1 1 d . . .
Ag8 Ag 0.14764(10) 0.51934(8) 0.69139(7) 0.0432(3) Uani 1 1 d . . .
Ag9 Ag 0.29442(9) 0.28900(8) 0.83038(7) 0.0384(3) Uani 1 1 d . . .
Ag10 Ag 0.37651(9) 0.12099(8) 1.00655(7) 0.0397(3) Uani 1 1 d . . .
C1 C -0.2821(15) 0.9460(12) 0.5619(10) 0.048(4) Uani 1 1 d . . .
C2 C -0.3466(17) 1.0241(14) 0.4715(13) 0.081(6) Uani 1 1 d U . .
H2A H -0.3182 0.9947 0.4251 0.122 Uiso 1 1 calc R . .
H2B H -0.3354 1.0873 0.4546 0.122 Uiso 1 1 calc R . .
H2C H -0.4264 1.0393 0.4782 0.122 Uiso 1 1 calc R . .
C3 C 0.1610(14) 0.6892(12) 0.5058(9) 0.046(4) Uani 1 1 d D . .
C5 C 0.5435(12) 0.1172(10) 0.8403(9) 0.035(3) Uani 1 1 d . . .
C6 C 0.6582(13) 0.0830(10) 0.7969(9) 0.045(4) Uani 1 1 d . . .
H6A H 0.7134 0.0249 0.8417 0.067 Uiso 1 1 calc R . .
H6B H 0.6820 0.1397 0.7735 0.067 Uiso 1 1 calc R . .
H6C H 0.6518 0.0628 0.7482 0.067 Uiso 1 1 calc R . .
C7 C -0.2230(15) 0.4192(12) 0.9575(11) 0.054(4) Uani 1 1 d DU . .
C9 C 0.0000 0.5000 1.0000 0.020(4) Uani 1 2 d SU . .
C10 C 0.325(2) 0.3565(18) 0.6081(16) 0.098(4) Uani 1 1 d U . .
H10A H 0.3432 0.4141 0.5911 0.117 Uiso 1 1 calc R . .
C11 C 0.488(2) 0.2805(16) 0.5317(15) 0.098(4) Uani 1 1 d . . .
H11A H 0.4973 0.3424 0.5251 0.146 Uiso 1 1 calc R . .
H11B H 0.4837 0.2787 0.4727 0.146 Uiso 1 1 calc R . .
H11C H 0.5523 0.2202 0.5657 0.146 Uiso 1 1 calc R . .
C12 C 0.366(2) 0.1925(16) 0.5955(14) 0.098(4) Uani 1 1 d . . .
H12A H 0.2974 0.1973 0.6290 0.146 Uiso 1 1 calc R . .
H12B H 0.4290 0.1318 0.6301 0.146 Uiso 1 1 calc R . .
H12C H 0.3571 0.1875 0.5387 0.146 Uiso 1 1 calc R . .
C13 C -0.1249(12) 0.5316(10) 0.6463(9) 0.043(4) Uani 1 1 d DU . .
C14 C -0.1037(16) 0.5976(13) 0.5500(9) 0.067(5) Uani 1 1 d . D .
H14A H -0.1370 0.5878 0.5057 0.100 Uiso 1 1 calc R . .
H14B H -0.0231 0.5762 0.5414 0.100 Uiso 1 1 calc R . .
H14C H -0.1376 0.6699 0.5430 0.100 Uiso 1 1 calc R . .
C16 C -0.2565(17) 0.5747(16) 0.6607(14) 0.086(6) Uani 1 1 d U D .
H16A H -0.3019 0.5870 0.6112 0.129 Uiso 1 1 calc R A 2
H16B H -0.2002 0.6029 0.6374 0.129 Uiso 1 1 calc R A 2
H16C H -0.3044 0.6076 0.7009 0.129 Uiso 1 1 calc R A 2
C17 C 0.1304(12) 0.1232(10) 0.9019(9) 0.040(3) Uani 1 1 d . . .
C18 C 0.0051(14) 0.1543(12) 0.9028(13) 0.062(5) Uani 1 1 d . . .
H18A H -0.0127 0.1095 0.8833 0.093 Uiso 1 1 calc R . .
H18B H -0.0320 0.2251 0.8622 0.093 Uiso 1 1 calc R . .
H18C H -0.0209 0.1483 0.9632 0.093 Uiso 1 1 calc R . .
C19 C 0.1755(16) 0.1332(12) 0.8066(12) 0.065(5) Uani 1 1 d . . .
H19A H 0.1577 0.0898 0.7852 0.097 Uiso 1 1 calc R . .
H19B H 0.2566 0.1115 0.8084 0.097 Uiso 1 1 calc R . .
H19C H 0.1405 0.2045 0.7663 0.097 Uiso 1 1 calc R . .
C20 C 0.1915(15) 0.0114(10) 0.9689(10) 0.057(5) Uani 1 1 d . . .
H20A H 0.1746 -0.0356 0.9519 0.086 Uiso 1 1 calc R . .
H20B H 0.1659 0.0072 1.0292 0.086 Uiso 1 1 calc R . .
H20C H 0.2723 -0.0075 0.9676 0.086 Uiso 1 1 calc R . .
C21 C 0.0416(11) 0.9024(10) 0.7196(8) 0.038(3) Uani 1 1 d DU . .
C24 C -0.013(2) 0.9794(15) 0.7653(13) 0.089(7) Uani 1 1 d . E .
H24A H 0.0124 1.0351 0.7387 0.134 Uiso 1 1 calc R . .
H24B H 0.0080 0.9459 0.8289 0.134 Uiso 1 1 calc R . .
H24C H -0.0942 1.0072 0.7577 0.134 Uiso 1 1 calc R . .
C25 C 0.4339(14) 0.4835(11) 0.7820(9) 0.049(4) Uani 1 1 d DU . .
C27 C 0.442(2) 0.534(2) 0.8507(18) 0.126(9) Uani 1 1 d U F .
H27A H 0.5100 0.5479 0.8396 0.188 Uiso 1 1 calc R . .
H27B H 0.4454 0.4874 0.9121 0.188 Uiso 1 1 calc R . .
H27C H 0.3767 0.5988 0.8417 0.188 Uiso 1 1 calc R . .
C28 C 0.5246(18) 0.3855(18) 0.8010(18) 0.119(9) Uani 1 1 d . F .
H28A H 0.5946 0.3940 0.7837 0.178 Uiso 1 1 calc R . .
H28B H 0.5128 0.3495 0.7674 0.178 Uiso 1 1 calc R . .
H28C H 0.5284 0.3457 0.8649 0.178 Uiso 1 1 calc R . .
C29 C -0.4819(12) 0.8213(10) 0.8281(9) 0.040(4) Uani 1 1 d . . .
C30 C -0.5334(14) 0.9380(10) 0.7808(11) 0.059(5) Uani 1 1 d . . .
H30A H -0.6062 0.9593 0.7540 0.088 Uiso 1 1 calc R . .
H30B H -0.4839 0.9584 0.7342 0.088 Uiso 1 1 calc R . .
H30C H -0.5428 0.9705 0.8241 0.088 Uiso 1 1 calc R . .
C31 C -0.4576(14) 0.7683(12) 0.7589(11) 0.061(5) Uani 1 1 d . . .
H31A H -0.5282 0.7838 0.7318 0.091 Uiso 1 1 calc R . .
H31B H -0.4188 0.6942 0.7888 0.091 Uiso 1 1 calc R . .
H31C H -0.4107 0.7934 0.7125 0.091 Uiso 1 1 calc R . .
C32 C -0.5490(15) 0.7787(14) 0.9032(10) 0.072(6) Uani 1 1 d . . .
H32A H -0.6219 0.7949 0.8796 0.109 Uiso 1 1 calc R . .
H32B H -0.5596 0.8093 0.9483 0.109 Uiso 1 1 calc R . .
H32C H -0.5088 0.7044 0.9304 0.109 Uiso 1 1 calc R . .
O1 O -0.3091(12) 0.9732(9) 0.6284(8) 0.080(4) Uani 1 1 d . . .
O2 O -0.2159(11) 0.8629(9) 0.5624(8) 0.076(4) Uani 1 1 d . . .
O3 O 0.0719(12) 0.7539(9) 0.5223(7) 0.072(4) Uani 1 1 d . B .
O4 O 0.2098(11) 0.5946(8) 0.5524(7) 0.077(4) Uani 1 1 d . B .
O5 O 0.4652(9) 0.1917(8) 0.7880(6) 0.054(3) Uani 1 1 d . . .
O6 O 0.5357(7) 0.0696(6) 0.9244(6) 0.041(2) Uani 1 1 d . . .
O7 O -0.2868(9) 0.5137(8) 0.9251(8) 0.064(3) Uani 1 1 d . C .
O8 O -0.1198(13) 0.3891(11) 0.9637(10) 0.094(4) Uani 1 1 d U C .
O9 O -0.0814(18) 0.5867(15) 0.9793(15) 0.046(5) Uani 0.50 1 d P . .
O10 O 0.021(2) 0.4290(18) 1.0740(14) 0.058(6) Uani 0.50 1 d P . .
O11 O 0.0896(16) 0.4876(13) 0.9339(13) 0.043(5) Uani 0.50 1 d PU . .
O12 O 0.2445(9) 0.3517(7) 0.6585(6) 0.052(3) Uani 1 1 d . . .
N1 N 0.3851(12) 0.2806(11) 0.5789(8) 0.056(4) Uani 1 1 d . . .
S1 S -0.0601(3) 0.5574(2) 0.7279(2) 0.0327(8) Uani 1 1 d . D .
S2 S 0.1659(3) 0.2095(2) 0.9398(2) 0.0316(8) Uani 1 1 d . . .
S3 S -0.0064(3) 0.7937(2) 0.7718(2) 0.0363(8) Uani 1 1 d . . .
S4 S 0.2978(3) 0.4632(2) 0.8168(2) 0.0348(8) Uani 1 1 d . . .
S5 S -0.3391(3) 0.7860(2) 0.8784(2) 0.0314(8) Uani 1 1 d . . .
O1W O -0.1296(19) 0.8588(14) 0.3933(11) 0.168(9) Uani 1 1 d . . .
H1 H -0.1747 0.8672 0.4362 0.202 Uiso 1 1 d R . .
H2 H -0.0618 0.8260 0.4155 0.202 Uiso 1 1 d R . .
C4A C 0.204(4) 0.728(4) 0.4069(17) 0.092(7) Uani 0.60 1 d PDU B 1
H4AA H 0.1839 0.7002 0.3698 0.138 Uiso 0.60 1 calc PR B 1
H4AB H 0.2848 0.7060 0.4090 0.138 Uiso 0.60 1 calc PR B 1
H4AC H 0.1680 0.8032 0.3814 0.138 Uiso 0.60 1 calc PR B 1
C8A C -0.269(4) 0.339(3) 1.017(3) 0.092(7) Uani 0.50 1 d PDU C 1
H8AA H -0.3504 0.3684 1.0087 0.138 Uiso 0.50 1 calc PR C 1
H8AB H -0.2503 0.3202 1.0798 0.138 Uiso 0.50 1 calc PR C 1
H8AC H -0.2357 0.2783 1.0010 0.138 Uiso 0.50 1 calc PR C 1
C15A C -0.0691(19) 0.4183(13) 0.6587(15) 0.070(3) Uani 0.80 1 d PD D 1
H15A H -0.1033 0.4060 0.6168 0.106 Uiso 0.80 1 calc PR D 1
H15B H -0.0789 0.3773 0.7198 0.106 Uiso 0.80 1 calc PR D 1
H15C H 0.0108 0.3991 0.6476 0.106 Uiso 0.80 1 calc PR D 1
C22A C 0.1651(15) 0.8595(18) 0.7402(17) 0.070(3) Uani 0.75 1 d PDU E 1
H22A H 0.1918 0.9142 0.7139 0.106 Uiso 0.75 1 calc PR E 1
H22B H 0.2051 0.8060 0.7152 0.106 Uiso 0.75 1 calc PR E 1
H22C H 0.1785 0.8304 0.8049 0.106 Uiso 0.75 1 calc PR E 1
C23A C 0.062(6) 0.929(5) 0.6225(17) 0.070(3) Uani 0.30 1 d PDU E 1
H23A H 0.0873 0.9850 0.6016 0.106 Uiso 0.30 1 calc PR E 1
H23B H -0.0068 0.9505 0.5902 0.106 Uiso 0.30 1 calc PR E 1
H23C H 0.1201 0.8693 0.6120 0.106 Uiso 0.30 1 calc PR E 1
C26A C 0.431(3) 0.544(2) 0.6854(13) 0.070(3) Uani 0.60 1 d PDU F 1
H26A H 0.5019 0.5526 0.6702 0.106 Uiso 0.60 1 calc PR F 1
H26B H 0.3694 0.6117 0.6718 0.106 Uiso 0.60 1 calc PR F 1
H26C H 0.4212 0.5088 0.6506 0.106 Uiso 0.60 1 calc PR F 1
C4B C 0.225(5) 0.732(6) 0.420(3) 0.092(7) Uani 0.40 1 d PDU B 2
H4BA H 0.2594 0.7709 0.4328 0.138 Uiso 0.40 1 calc PR B 2
H4BB H 0.1715 0.7768 0.3699 0.138 Uiso 0.40 1 calc PR B 2
H4BC H 0.2825 0.6750 0.4061 0.138 Uiso 0.40 1 calc PR B 2
C8B C -0.267(4) 0.334(3) 0.974(3) 0.092(7) Uani 0.50 1 d PDU C 2
H8BA H -0.3489 0.3650 0.9675 0.138 Uiso 0.50 1 calc PR C 2
H8BB H -0.2450 0.2832 1.0347 0.138 Uiso 0.50 1 calc PR C 2
H8BC H -0.2355 0.3000 0.9310 0.138 Uiso 0.50 1 calc PR C 2
C15B C -0.217(6) 0.497(7) 0.695(5) 0.070(3) Uani 0.20 1 d PDU D 2
H15D H -0.2354 0.4600 0.6661 0.106 Uiso 0.20 1 calc PR D 2
H15E H -0.2424 0.4803 0.7566 0.106 Uiso 0.20 1 calc PR D 2
H15F H -0.1361 0.4764 0.6957 0.106 Uiso 0.20 1 calc PR D 2
C22B C 0.142(4) 0.870(5) 0.667(5) 0.070(3) Uani 0.25 1 d PDU E 2
H22D H 0.1676 0.9255 0.6407 0.106 Uiso 0.25 1 calc PR E 2
H22E H 0.1237 0.8538 0.6201 0.106 Uiso 0.25 1 calc PR E 2
H22F H 0.2015 0.8095 0.7066 0.106 Uiso 0.25 1 calc PR E 2
C23B C -0.006(2) 0.959(2) 0.6272(13) 0.070(3) Uani 0.70 1 d PDU E 2
H23D H 0.0179 1.0155 0.5982 0.106 Uiso 0.70 1 calc PR E 2
H23E H -0.0876 0.9868 0.6286 0.106 Uiso 0.70 1 calc PR E 2
H23F H 0.0204 0.9131 0.5940 0.106 Uiso 0.70 1 calc PR E 2
C26B C 0.399(4) 0.587(2) 0.710(3) 0.070(3) Uani 0.40 1 d PDU F 2
H26D H 0.4648 0.6019 0.6885 0.106 Uiso 0.40 1 calc PR F 2
H26E H 0.3464 0.6385 0.7330 0.106 Uiso 0.40 1 calc PR F 2
H26F H 0.3630 0.5876 0.6603 0.106 Uiso 0.40 1 calc PR F 2


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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 O10 2.38(2) 2_567 ?
Ag1 O7 2.452(11) . ?
Ag1 S1 2.489(4) . ?
Ag1 O9 2.52(2) . ?
Ag1 S5 2.619(4) . ?
Ag1 Ag6 2.9614(18) . ?
Ag1 Ag5 3.0343(19) . ?
Ag2 S1 2.458(3) . ?
Ag2 S2 2.472(3) . ?
Ag2 O11 2.547(16) . ?
Ag2 Ag9 2.9767(19) . ?
Ag2 Ag8 3.0748(17) . ?
Ag2 Ag3 3.3213(17) . ?
Ag3 S3 2.437(4) 2_567 ?
Ag3 S2 2.439(4) . ?
Ag3 O9 2.526(19) 2_567 ?
Ag3 Ag6 3.1581(18) 2_567 ?
Ag3 Ag4 3.243(2) 2_567 ?
Ag4 O11 2.26(2) . ?
Ag4 S3 2.423(4) . ?
Ag4 S4 2.434(4) . ?
Ag4 O10 2.54(2) 2_567 ?
Ag4 Ag8 2.9782(19) . ?
Ag4 Ag3 3.243(2) 2_567 ?
Ag4 Ag7 3.2675(18) . ?
Ag5 S4 2.447(3) 2_567 ?
Ag5 S5 2.464(3) . ?
Ag5 O11 2.476(17) 2_567 ?
Ag5 O9 2.56(2) . ?
Ag5 Ag9 3.0100(17) 2_567 ?
Ag5 Ag10 3.2776(19) 2_567 ?
Ag6 O1 2.253(10) . ?
Ag6 S5 2.473(4) . ?
Ag6 S3 2.504(4) . ?
Ag6 Ag7 3.0108(19) . ?
Ag6 Ag3 3.1581(18) 2_567 ?
Ag7 O3 2.335(12) . ?
Ag7 O2 2.442(11) . ?
Ag7 S1 2.584(3) . ?
Ag7 S3 2.594(4) . ?
Ag7 Ag8 3.0041(18) . ?
Ag8 O4 2.285(11) . ?
Ag8 S1 2.536(4) . ?
Ag8 O12 2.543(10) . ?
Ag8 S4 2.613(3) . ?
Ag8 Ag9 3.2172(16) . ?
Ag9 O5 2.266(11) . ?
Ag9 S2 2.565(4) . ?
Ag9 S4 2.586(3) . ?
Ag9 Ag10 2.9251(14) . ?
Ag9 Ag5 3.0100(18) 2_567 ?
Ag10 O6 2.297(9) . ?
Ag10 O6 2.450(8) 2_657 ?
Ag10 S5 2.596(4) 2_567 ?
Ag10 S2 2.640(3) . ?
Ag10 Ag5 3.2776(19) 2_567 ?
C1 O2 1.187(18) . ?
C1 O1 1.235(19) . ?
C1 C2 1.54(2) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 O3 1.235(18) . ?
C3 O4 1.249(16) . ?
C3 C4B 1.56(2) . ?
C3 C4A 1.571(18) . ?
C5 O5 1.241(15) . ?
C5 O6 1.269(15) . ?
C5 C6 1.52(2) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 O8 1.220(19) . ?
C7 O7 1.248(17) . ?
C7 C8A 1.522(19) . ?
C7 C8B 1.551(19) . ?
C9 O10 1.22(2) . ?
C9 O10 1.22(2) 2_567 ?
C9 O9 1.24(2) 2_567 ?
C9 O9 1.24(2) . ?
C9 O11 1.46(2) . ?
C9 O11 1.46(2) 2_567 ?
C10 O12 1.24(3) . ?
C10 N1 1.30(3) . ?
C10 H10A 0.9300 . ?
C11 N1 1.44(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 N1 1.38(2) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C15A 1.499(16) . ?
C13 C15B 1.51(2) . ?
C13 C14 1.54(2) . ?
C13 C16 1.57(2) . ?
C13 S1 1.871(13) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C16 C15B 1.01(8) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.49(2) . ?
C17 C19 1.53(2) . ?
C17 C20 1.535(17) . ?
C17 S2 1.862(14) . ?
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 . ?
C21 C23B 1.454(16) . ?
C21 C22B 1.45(2) . ?
C21 C23A 1.46(2) . ?
C21 C22A 1.479(16) . ?
C21 C24 1.49(2) . ?
C21 S3 1.865(13) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C28 1.40(2) . ?
C25 C26A 1.458(17) . ?
C25 C26B 1.467(19) . ?
C25 C27 1.60(3) . ?
C25 S4 1.892(15) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C32 1.49(2) . ?
C29 C30 1.506(18) . ?
C29 C31 1.53(2) . ?
C29 S5 1.892(13) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
O6 Ag10 2.450(8) 2_657 ?
O9 O10 1.10(3) 2_567 ?
O9 O11 1.44(3) 2_567 ?
O9 Ag3 2.526(19) 2_567 ?
O10 O9 1.10(3) 2_567 ?
O10 O11 1.44(3) 2_567 ?
O10 Ag1 2.38(2) 2_567 ?
O10 Ag4 2.54(2) 2_567 ?
O11 O9 1.44(3) 2_567 ?
O11 O10 1.44(3) 2_567 ?
O11 Ag5 2.476(17) 2_567 ?
S3 Ag3 2.437(4) 2_567 ?
S4 Ag5 2.447(3) 2_567 ?
S5 Ag10 2.596(4) 2_567 ?
O1W H1 0.8500 . ?
O1W H2 0.8500 . ?
C4A H4AA 0.9600 . ?
C4A H4AB 0.9600 . ?
C4A H4AC 0.9600 . ?
C8A H8AA 0.9600 . ?
C8A H8AB 0.9600 . ?
C8A H8AC 0.9600 . ?
C15A H15A 0.9600 . ?
C15A H15B 0.9600 . ?
C15A H15C 0.9600 . ?
C22A H22A 0.9600 . ?
C22A H22B 0.9600 . ?
C22A H22C 0.9600 . ?
C23A H23A 0.9600 . ?
C23A H23B 0.9600 . ?
C23A H23C 0.9600 . ?
C26A H26A 0.9600 . ?
C26A H26B 0.9600 . ?
C26A H26C 0.9600 . ?
C4B H4BA 0.9600 . ?
C4B H4BB 0.9600 . ?
C4B H4BC 0.9600 . ?
C8B H8BA 0.9600 . ?
C8B H8BB 0.9600 . ?
C8B H8BC 0.9600 . ?
C15B H15D 0.9600 . ?
C15B H15E 0.9600 . ?
C15B H15F 0.9600 . ?
C22B C23B 1.84(6) . ?
C22B H22D 0.9600 . ?
C22B H22E 0.9600 . ?
C22B H22F 0.9600 . ?
C23B H23D 0.9600 . ?
C23B H23E 0.9600 . ?
C23B H23F 0.9600 . ?
C26B H26D 0.9600 . ?
C26B H26E 0.9600 . ?
C26B H26F 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
O10 Ag1 O7 107.0(5) 2_567 . ?
O10 Ag1 S1 86.9(6) 2_567 . ?
O7 Ag1 S1 110.7(3) . . ?
O10 Ag1 O9 25.7(7) 2_567 . ?
O7 Ag1 O9 92.3(5) . . ?
S1 Ag1 O9 112.0(5) . . ?
O10 Ag1 S5 105.0(6) 2_567 . ?
O7 Ag1 S5 92.8(3) . . ?
S1 Ag1 S5 149.51(11) . . ?
O9 Ag1 S5 85.1(5) . . ?
O10 Ag1 Ag6 93.9(5) 2_567 . ?
O7 Ag1 Ag6 143.4(3) . . ?
S1 Ag1 Ag6 99.89(9) . . ?
O9 Ag1 Ag6 94.4(4) . . ?
S5 Ag1 Ag6 52.17(8) . . ?
O10 Ag1 Ag5 79.5(6) 2_567 . ?
O7 Ag1 Ag5 59.2(3) . . ?
S1 Ag1 Ag5 158.96(8) . . ?
O9 Ag1 Ag5 53.9(5) . . ?
S5 Ag1 Ag5 51.04(7) . . ?
Ag6 Ag1 Ag5 97.05(5) . . ?
S1 Ag2 S2 164.08(12) . . ?
S1 Ag2 O11 91.9(4) . . ?
S2 Ag2 O11 101.0(4) . . ?
S1 Ag2 Ag9 116.75(10) . . ?
S2 Ag2 Ag9 55.22(9) . . ?
O11 Ag2 Ag9 87.6(4) . . ?
S1 Ag2 Ag8 53.16(9) . . ?
S2 Ag2 Ag8 119.00(10) . . ?
O11 Ag2 Ag8 82.2(5) . . ?
Ag9 Ag2 Ag8 64.21(4) . . ?
S1 Ag2 Ag3 147.27(10) . . ?
S2 Ag2 Ag3 47.02(9) . . ?
O11 Ag2 Ag3 76.1(4) . . ?
Ag9 Ag2 Ag3 93.41(4) . . ?
Ag8 Ag2 Ag3 149.49(5) . . ?
S3 Ag3 S2 156.02(12) 2_567 . ?
S3 Ag3 O9 105.1(5) 2_567 2_567 ?
S2 Ag3 O9 89.5(5) . 2_567 ?
S3 Ag3 Ag6 51.22(9) 2_567 2_567 ?
S2 Ag3 Ag6 111.30(9) . 2_567 ?
O9 Ag3 Ag6 89.7(5) 2_567 2_567 ?
S3 Ag3 Ag4 47.96(9) 2_567 2_567 ?
S2 Ag3 Ag4 155.92(9) . 2_567 ?
O9 Ag3 Ag4 73.4(5) 2_567 2_567 ?
Ag6 Ag3 Ag4 86.06(5) 2_567 2_567 ?
S3 Ag3 Ag2 155.94(10) 2_567 . ?
S2 Ag3 Ag2 47.87(8) . . ?
O9 Ag3 Ag2 58.8(5) 2_567 . ?
Ag6 Ag3 Ag2 137.64(5) 2_567 . ?
Ag4 Ag3 Ag2 108.07(5) 2_567 . ?
O11 Ag4 S3 120.9(5) . . ?
O11 Ag4 S4 80.5(5) . . ?
S3 Ag4 S4 155.67(13) . . ?
O11 Ag4 O10 34.3(7) . 2_567 ?
S3 Ag4 O10 86.6(6) . 2_567 ?
S4 Ag4 O10 113.7(6) . 2_567 ?
O11 Ag4 Ag8 89.3(4) . . ?
S3 Ag4 Ag8 108.51(9) . . ?
S4 Ag4 Ag8 56.67(8) . . ?
O10 Ag4 Ag8 100.1(5) 2_567 . ?
O11 Ag4 Ag3 81.6(5) . 2_567 ?
S3 Ag4 Ag3 48.33(9) . 2_567 ?
S4 Ag4 Ag3 155.43(9) . 2_567 ?
O10 Ag4 Ag3 53.4(6) 2_567 2_567 ?
Ag8 Ag4 Ag3 139.71(6) . 2_567 ?
O11 Ag4 Ag7 110.8(4) . . ?
S3 Ag4 Ag7 51.67(8) . . ?
S4 Ag4 Ag7 112.53(9) . . ?
O10 Ag4 Ag7 89.5(4) 2_567 . ?
Ag8 Ag4 Ag7 57.28(4) . . ?
Ag3 Ag4 Ag7 89.56(5) 2_567 . ?
S4 Ag5 S5 156.76(13) 2_567 . ?
S4 Ag5 O11 76.2(5) 2_567 2_567 ?
S5 Ag5 O11 120.6(5) . 2_567 ?
S4 Ag5 O9 108.2(5) 2_567 . ?
S5 Ag5 O9 87.5(5) . . ?
O11 Ag5 O9 33.1(7) 2_567 . ?
S4 Ag5 Ag9 55.41(9) 2_567 2_567 ?
S5 Ag5 Ag9 106.21(9) . 2_567 ?
O11 Ag5 Ag9 88.2(4) 2_567 2_567 ?
O9 Ag5 Ag9 99.3(4) . 2_567 ?
S4 Ag5 Ag1 147.50(10) 2_567 . ?
S5 Ag5 Ag1 55.73(9) . . ?
O11 Ag5 Ag1 78.3(5) 2_567 . ?
O9 Ag5 Ag1 52.7(5) . . ?
Ag9 Ag5 Ag1 143.18(5) 2_567 . ?
S4 Ag5 Ag10 107.38(9) 2_567 2_567 ?
S5 Ag5 Ag10 51.41(8) . 2_567 ?
O11 Ag5 Ag10 119.6(4) 2_567 2_567 ?
O9 Ag5 Ag10 101.2(4) . 2_567 ?
Ag9 Ag5 Ag10 55.25(3) 2_567 2_567 ?
Ag1 Ag5 Ag10 102.59(4) . 2_567 ?
O1 Ag6 S5 115.3(4) . . ?
O1 Ag6 S3 117.9(4) . . ?
S5 Ag6 S3 126.58(11) . . ?
O1 Ag6 Ag1 129.5(4) . . ?
S5 Ag6 Ag1 56.77(8) . . ?
S3 Ag6 Ag1 91.43(8) . . ?
O1 Ag6 Ag7 90.1(4) . . ?
S5 Ag6 Ag7 129.73(9) . . ?
S3 Ag6 Ag7 55.18(9) . . ?
Ag1 Ag6 Ag7 73.41(5) . . ?
O1 Ag6 Ag3 153.4(4) . 2_567 ?
S5 Ag6 Ag3 80.07(8) . 2_567 ?
S3 Ag6 Ag3 49.33(8) . 2_567 ?
Ag1 Ag6 Ag3 76.94(4) . 2_567 ?
Ag7 Ag6 Ag3 96.01(5) . 2_567 ?
O3 Ag7 O2 93.0(5) . . ?
O3 Ag7 S1 118.5(3) . . ?
O2 Ag7 S1 108.9(3) . . ?
O3 Ag7 S3 115.6(3) . . ?
O2 Ag7 S3 109.5(3) . . ?
S1 Ag7 S3 109.82(10) . . ?
O3 Ag7 Ag8 77.0(3) . . ?
O2 Ag7 Ag8 146.9(3) . . ?
S1 Ag7 Ag8 53.35(9) . . ?
S3 Ag7 Ag8 103.24(9) . . ?
O3 Ag7 Ag6 144.2(3) . . ?
O2 Ag7 Ag6 66.6(3) . . ?
S1 Ag7 Ag6 96.49(9) . . ?
S3 Ag7 Ag6 52.44(9) . . ?
Ag8 Ag7 Ag6 135.66(5) . . ?
O3 Ag7 Ag4 106.4(3) . . ?
O2 Ag7 Ag4 154.4(3) . . ?
S1 Ag7 Ag4 76.80(8) . . ?
S3 Ag7 Ag4 47.12(8) . . ?
Ag8 Ag7 Ag4 56.51(4) . . ?
Ag6 Ag7 Ag4 88.08(5) . . ?
O4 Ag8 S1 124.3(3) . . ?
O4 Ag8 O12 85.1(4) . . ?
S1 Ag8 O12 111.4(3) . . ?
O4 Ag8 S4 109.1(3) . . ?
S1 Ag8 S4 121.21(12) . . ?
O12 Ag8 S4 94.7(2) . . ?
O4 Ag8 Ag4 114.9(3) . . ?
S1 Ag8 Ag4 83.13(9) . . ?
O12 Ag8 Ag4 143.7(2) . . ?
S4 Ag8 Ag4 51.11(9) . . ?
O4 Ag8 Ag7 83.7(3) . . ?
S1 Ag8 Ag7 54.82(8) . . ?
O12 Ag8 Ag7 149.5(2) . . ?
S4 Ag8 Ag7 115.84(9) . . ?
Ag4 Ag8 Ag7 66.21(4) . . ?
O4 Ag8 Ag2 165.2(4) . . ?
S1 Ag8 Ag2 50.87(7) . . ?
O12 Ag8 Ag2 84.7(3) . . ?
S4 Ag8 Ag2 82.50(8) . . ?
Ag4 Ag8 Ag2 79.53(5) . . ?
Ag7 Ag8 Ag2 99.93(5) . . ?
O4 Ag8 Ag9 123.3(3) . . ?
S1 Ag8 Ag9 106.76(8) . . ?
O12 Ag8 Ag9 52.2(2) . . ?
S4 Ag8 Ag9 51.38(7) . . ?
Ag4 Ag8 Ag9 92.21(5) . . ?
Ag7 Ag8 Ag9 151.71(5) . . ?
Ag2 Ag8 Ag9 56.42(4) . . ?
O5 Ag9 S2 123.1(3) . . ?
O5 Ag9 S4 108.4(3) . . ?
S2 Ag9 S4 122.87(12) . . ?
O5 Ag9 Ag10 81.4(2) . . ?
S2 Ag9 Ag10 57.04(8) . . ?
S4 Ag9 Ag10 114.52(8) . . ?
O5 Ag9 Ag2 162.2(3) . . ?
S2 Ag9 Ag2 52.35(8) . . ?
S4 Ag9 Ag2 84.93(9) . . ?
Ag10 Ag9 Ag2 104.27(5) . . ?
O5 Ag9 Ag5 118.4(3) . 2_567 ?
S2 Ag9 Ag5 81.58(8) . 2_567 ?
S4 Ag9 Ag5 51.18(8) . 2_567 ?
Ag10 Ag9 Ag5 67.02(4) . 2_567 ?
Ag2 Ag9 Ag5 79.04(4) . 2_567 ?
O5 Ag9 Ag8 119.3(2) . . ?
S2 Ag9 Ag8 111.35(8) . . ?
S4 Ag9 Ag8 52.16(7) . . ?
Ag10 Ag9 Ag8 157.06(5) . . ?
Ag2 Ag9 Ag8 59.38(3) . . ?
Ag5 Ag9 Ag8 92.73(5) 2_567 . ?
O6 Ag10 O6 74.6(3) . 2_657 ?
O6 Ag10 S5 129.2(3) . 2_567 ?
O6 Ag10 S5 113.8(2) 2_657 2_567 ?
O6 Ag10 S2 123.9(2) . . ?
O6 Ag10 S2 117.8(2) 2_657 . ?
S5 Ag10 S2 97.19(11) 2_567 . ?
O6 Ag10 Ag9 81.2(2) . . ?
O6 Ag10 Ag9 141.0(2) 2_657 . ?
S5 Ag10 Ag9 105.18(8) 2_567 . ?
S2 Ag10 Ag9 54.59(7) . . ?
O6 Ag10 Ag5 110.8(2) . 2_567 ?
O6 Ag10 Ag5 160.7(2) 2_657 2_567 ?
S5 Ag10 Ag5 47.90(7) 2_567 2_567 ?
S2 Ag10 Ag5 75.49(7) . 2_567 ?
Ag9 Ag10 Ag5 57.72(4) . 2_567 ?
O2 C1 O1 126.1(14) . . ?
O2 C1 C2 116.7(16) . . ?
O1 C1 C2 117.1(16) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O3 C3 O4 127.6(14) . . ?
O3 C3 C4B 116(3) . . ?
O4 C3 C4B 116(3) . . ?
O3 C3 C4A 114(2) . . ?
O4 C3 C4A 117(2) . . ?
C4B C3 C4A 15(4) . . ?
O5 C5 O6 126.3(14) . . ?
O5 C5 C6 114.8(12) . . ?
O6 C5 C6 118.9(11) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O8 C7 O7 121.8(14) . . ?
O8 C7 C8A 114(2) . . ?
O7 C7 C8A 121(2) . . ?
O8 C7 C8B 116(2) . . ?
O7 C7 C8B 121(2) . . ?
C8A C7 C8B 27(2) . . ?
O10 C9 O10 180 . 2_567 ?
O10 C9 O9 52.9(13) . 2_567 ?
O10 C9 O9 127.1(13) 2_567 2_567 ?
O10 C9 O9 127.1(13) . . ?
O10 C9 O9 52.9(13) 2_567 . ?
O9 C9 O9 180 2_567 . ?
O10 C9 O11 115.8(13) . . ?
O10 C9 O11 64.2(13) 2_567 . ?
O9 C9 O11 63.7(12) 2_567 . ?
O9 C9 O11 116.3(12) . . ?
O10 C9 O11 64.2(13) . 2_567 ?
O10 C9 O11 115.8(13) 2_567 2_567 ?
O9 C9 O11 116.3(12) 2_567 2_567 ?
O9 C9 O11 63.7(12) . 2_567 ?
O11 C9 O11 180 . 2_567 ?
O12 C10 N1 120(2) . . ?
O12 C10 H10A 120.0 . . ?
N1 C10 H10A 120.0 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 H12A 109.5 . . ?
N1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C15A C13 C15B 80(4) . . ?
C15A C13 C14 109.7(14) . . ?
C15B C13 C14 138(4) . . ?
C15A C13 C16 115.2(14) . . ?
C15B C13 C16 38(3) . . ?
C14 C13 C16 108.0(13) . . ?
C15A C13 S1 110.3(11) . . ?
C15B C13 S1 107(4) . . ?
C14 C13 S1 106.6(10) . . ?
C16 C13 S1 106.6(11) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C15B C16 C13 68(2) . . ?
C15B C16 H16A 109.5 . . ?
C13 C16 H16A 114.7 . . ?
C15B C16 H16B 109.5 . . ?
C13 C16 H16B 42.9 . . ?
H16A C16 H16B 109.5 . . ?
C15B C16 H16C 109.5 . . ?
C13 C16 H16C 133.8 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C19 111.4(13) . . ?
C18 C17 C20 110.5(12) . . ?
C19 C17 C20 110.3(13) . . ?
C18 C17 S2 109.8(10) . . ?
C19 C17 S2 107.7(9) . . ?
C20 C17 S2 107.0(9) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C23B C21 C22B 79(3) . . ?
C23B C21 C23A 32(3) . . ?
C22B C21 C23A 46(3) . . ?
C23B C21 C22A 122.2(18) . . ?
C22B C21 C22A 47(3) . . ?
C23A C21 C22A 91(3) . . ?
C23B C21 C24 104.0(16) . . ?
C22B C21 C24 138(3) . . ?
C23A C21 C24 125(3) . . ?
C22A C21 C24 105.3(15) . . ?
C23B C21 S3 107.4(13) . . ?
C22B C21 S3 109(3) . . ?
C23A C21 S3 115(3) . . ?
C22A C21 S3 108.0(12) . . ?
C24 C21 S3 109.5(11) . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C28 C25 C26A 109(2) . . ?
C28 C25 C26B 138(3) . . ?
C26A C25 C26B 32(2) . . ?
C28 C25 C27 109.2(17) . . ?
C26A C25 C27 116.5(18) . . ?
C26B C25 C27 89(2) . . ?
C28 C25 S4 108.1(12) . . ?
C26A C25 S4 111.8(15) . . ?
C26B C25 S4 105(2) . . ?
C27 C25 S4 102.0(14) . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C32 C29 C30 115.3(14) . . ?
C32 C29 C31 110.1(14) . . ?
C30 C29 C31 110.1(12) . . ?
C32 C29 S5 107.5(9) . . ?
C30 C29 S5 106.7(10) . . ?
C31 C29 S5 106.6(10) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C1 O1 Ag6 113.2(11) . . ?
C1 O2 Ag7 133.9(11) . . ?
C3 O3 Ag7 129.1(10) . . ?
C3 O4 Ag8 122.4(10) . . ?
C5 O5 Ag9 125.7(9) . . ?
C5 O6 Ag10 124.3(8) . . ?
C5 O6 Ag10 121.7(8) . 2_657 ?
Ag10 O6 Ag10 105.4(3) . 2_657 ?
C7 O7 Ag1 114.5(10) . . ?
O10 O9 C9 62.6(16) 2_567 . ?
O10 O9 O11 127(2) 2_567 2_567 ?
C9 O9 O11 65.5(12) . 2_567 ?
O10 O9 Ag1 70.3(16) 2_567 . ?
C9 O9 Ag1 111.4(11) . . ?
O11 O9 Ag1 122.3(12) 2_567 . ?
O10 O9 Ag3 85.3(17) 2_567 2_567 ?
C9 O9 Ag3 123.0(13) . 2_567 ?
O11 O9 Ag3 133.5(13) 2_567 2_567 ?
Ag1 O9 Ag3 98.1(7) . 2_567 ?
O10 O9 Ag5 143.2(19) 2_567 . ?
C9 O9 Ag5 129.4(13) . . ?
O11 O9 Ag5 70.2(12) 2_567 . ?
Ag1 O9 Ag5 73.3(6) . . ?
Ag3 O9 Ag5 104.9(7) 2_567 . ?
O9 O10 C9 64.5(15) 2_567 . ?
O9 O10 O11 129(2) 2_567 2_567 ?
C9 O10 O11 65.9(14) . 2_567 ?
O9 O10 Ag1 84.1(18) 2_567 2_567 ?
C9 O10 Ag1 121.0(13) . 2_567 ?
O11 O10 Ag1 131.8(15) 2_567 2_567 ?
O9 O10 Ag4 145(2) 2_567 2_567 ?
C9 O10 Ag4 122.2(14) . 2_567 ?
O11 O10 Ag4 62.4(12) 2_567 2_567 ?
Ag1 O10 Ag4 112.1(8) 2_567 2_567 ?
O9 O11 O10 100.2(18) 2_567 2_567 ?
O9 O11 C9 50.8(11) 2_567 . ?
O10 O11 C9 49.9(11) 2_567 . ?
O9 O11 Ag4 160.7(12) 2_567 . ?
O10 O11 Ag4 83.3(12) 2_567 . ?
C9 O11 Ag4 127.1(10) . . ?
O9 O11 Ag5 76.7(11) 2_567 2_567 ?
O10 O11 Ag5 162.3(13) 2_567 2_567 ?
C9 O11 Ag5 122.4(9) . 2_567 ?
Ag4 O11 Ag5 94.2(7) . 2_567 ?
O9 O11 Ag2 91.3(11) 2_567 . ?
O10 O11 Ag2 98.8(11) 2_567 . ?
C9 O11 Ag2 103.6(9) . . ?
Ag4 O11 Ag2 107.1(7) . . ?
Ag5 O11 Ag2 98.6(6) 2_567 . ?
C10 O12 Ag8 108.9(13) . . ?
C10 N1 C12 126(2) . . ?
C10 N1 C11 118.9(19) . . ?
C12 N1 C11 114.5(18) . . ?
C13 S1 Ag2 109.9(4) . . ?
C13 S1 Ag1 117.0(5) . . ?
Ag2 S1 Ag1 90.70(11) . . ?
C13 S1 Ag8 109.0(5) . . ?
Ag2 S1 Ag8 75.97(10) . . ?
Ag1 S1 Ag8 133.97(14) . . ?
C13 S1 Ag7 110.2(4) . . ?
Ag2 S1 Ag7 134.74(14) . . ?
Ag1 S1 Ag7 89.41(12) . . ?
Ag8 S1 Ag7 71.84(10) . . ?
C17 S2 Ag3 112.9(5) . . ?
C17 S2 Ag2 108.6(4) . . ?
Ag3 S2 Ag2 85.11(12) . . ?
C17 S2 Ag9 113.2(5) . . ?
Ag3 S2 Ag9 133.07(14) . . ?
Ag2 S2 Ag9 72.43(9) . . ?
C17 S2 Ag10 112.5(5) . . ?
Ag3 S2 Ag10 101.35(11) . . ?
Ag2 S2 Ag10 131.39(13) . . ?
Ag9 S2 Ag10 68.38(9) . . ?
C21 S3 Ag4 119.7(5) . . ?
C21 S3 Ag3 116.2(4) . 2_567 ?
Ag4 S3 Ag3 83.71(10) . 2_567 ?
C21 S3 Ag6 114.9(4) . . ?
Ag4 S3 Ag6 124.88(14) . . ?
Ag3 S3 Ag6 79.44(12) 2_567 . ?
C21 S3 Ag7 111.4(4) . . ?
Ag4 S3 Ag7 81.21(11) . . ?
Ag3 S3 Ag7 131.43(14) 2_567 . ?
Ag6 S3 Ag7 72.37(10) . . ?
C25 S4 Ag4 115.2(5) . . ?
C25 S4 Ag5 114.4(4) . 2_567 ?
Ag4 S4 Ag5 90.81(13) . 2_567 ?
C25 S4 Ag9 118.6(5) . . ?
Ag4 S4 Ag9 125.71(15) . . ?
Ag5 S4 Ag9 73.41(9) 2_567 . ?
C25 S4 Ag8 119.3(4) . . ?
Ag4 S4 Ag8 72.22(10) . . ?
Ag5 S4 Ag8 126.00(15) 2_567 . ?
Ag9 S4 Ag8 76.46(10) . . ?
C29 S5 Ag5 111.7(5) . . ?
C29 S5 Ag6 110.5(5) . . ?
Ag5 S5 Ag6 130.98(14) . . ?
C29 S5 Ag10 107.6(5) . 2_567 ?
Ag5 S5 Ag10 80.69(10) . 2_567 ?
Ag6 S5 Ag10 108.96(13) . 2_567 ?
C29 S5 Ag1 107.8(4) . . ?
Ag5 S5 Ag1 73.23(9) . . ?
Ag6 S5 Ag1 71.06(10) . . ?
Ag10 S5 Ag1 141.79(12) 2_567 . ?
H1 O1W H2 108.1 . . ?
C3 C4A H4AA 109.5 . . ?
C3 C4A H4AB 109.5 . . ?
H4AA C4A H4AB 109.5 . . ?
C3 C4A H4AC 109.5 . . ?
H4AA C4A H4AC 109.5 . . ?
H4AB C4A H4AC 109.5 . . ?
C7 C8A H8AA 109.5 . . ?
C7 C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
C7 C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C13 C15A H15A 109.5 . . ?
C13 C15A H15B 109.5 . . ?
H15A C15A H15B 109.5 . . ?
C13 C15A H15C 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
C21 C22A H22A 109.5 . . ?
C21 C22A H22B 109.5 . . ?
H22A C22A H22B 109.5 . . ?
C21 C22A H22C 109.5 . . ?
H22A C22A H22C 109.5 . . ?
H22B C22A H22C 109.5 . . ?
C21 C23A H23A 109.5 . . ?
C21 C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C21 C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C25 C26A H26A 109.5 . . ?
C25 C26A H26B 109.5 . . ?
H26A C26A H26B 109.5 . . ?
C25 C26A H26C 109.5 . . ?
H26A C26A H26C 109.5 . . ?
H26B C26A H26C 109.5 . . ?
C3 C4B H4BA 109.5 . . ?
C3 C4B H4BB 109.5 . . ?
H4BA C4B H4BB 109.5 . . ?
C3 C4B H4BC 109.5 . . ?
H4BA C4B H4BC 109.5 . . ?
H4BB C4B H4BC 109.5 . . ?
C7 C8B H8BA 109.5 . . ?
C7 C8B H8BB 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
C7 C8B H8BC 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
C16 C15B C13 74(3) . . ?
C16 C15B H15D 109.5 . . ?
C13 C15B H15D 111.3 . . ?
C16 C15B H15E 109.5 . . ?
C13 C15B H15E 134.9 . . ?
H15D C15B H15E 109.5 . . ?
C16 C15B H15F 109.5 . . ?
C13 C15B H15F 37.8 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
C21 C22B C23B 50.7(17) . . ?
C21 C22B H22D 109.5 . . ?
C23B C22B H22D 91.9 . . ?
C21 C22B H22E 109.5 . . ?
C23B C22B H22E 71.8 . . ?
H22D C22B H22E 109.5 . . ?
C21 C22B H22F 109.5 . . ?
C23B C22B H22F 155.9 . . ?
H22D C22B H22F 109.5 . . ?
H22E C22B H22F 109.5 . . ?
C21 C23B C22B 50.7(17) . . ?
C21 C23B H23D 109.5 . . ?
C22B C23B H23D 89.7 . . ?
C21 C23B H23E 109.5 . . ?
C22B C23B H23E 157.3 . . ?
H23D C23B H23E 109.5 . . ?
C21 C23B H23F 109.5 . . ?
C22B C23B H23F 73.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C25 C26B H26D 109.5 . . ?
C25 C26B H26E 109.5 . . ?
H26D C26B H26E 109.5 . . ?
C25 C26B H26F 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         2.771
_refine_diff_density_min         -1.593
_refine_diff_density_rms         0.217
_database_code_depnum_ccdc_archive 'CCDC 998570'
