# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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. 
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data_20120101_hzg288_0m
_database_code_depnum_ccdc_archive 'CCDC 1813849'
_audit_update_record             
;
2017-12-26 deposited with the CCDC.
2018-02-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H42 N6 O86 P2 S6 W24'
_chemical_formula_weight         6529.39

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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_space_group_crystal_system      trigonal
_space_group_IT_number           146
_space_group_name_H-M_alt        'R 3 :H'
_space_group_name_Hall           'R 3'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   18.3054(7)
_cell_length_b                   18.3054(7)
_cell_length_c                   24.9411(19)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     7237.8(8)
_cell_formula_units_Z            3
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8431
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      30.18

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.494
_exptl_crystal_F_000             8562
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    28.753
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.006
_exptl_absorpt_correction_T_max  0.013
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12127
_diffrn_reflns_av_unetI/netI     0.0415
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.522
_diffrn_reflns_theta_max         25.002
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.702
_diffrn_reflns_point_group_measured_fraction_full 0.686
_reflns_number_total             3983
_reflns_number_gt                3906
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.405
_reflns_Friedel_fraction_max     0.405
_reflns_Friedel_fraction_full    0.396

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0076P)²+970.6839P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.000071(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 1090 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.04(2)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3983
_refine_ls_number_parameters     386
_refine_ls_number_restraints     493
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0317
_refine_ls_wR_factor_ref         0.0723
_refine_ls_wR_factor_gt          0.0718
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      0.996
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.55613(6) 0.21134(6) 0.81104(4) 0.00812(17) Uani 1 1 d . . . . .
W2 W 0.57343(6) 0.11013(6) 0.92195(4) 0.00812(17) Uani 1 1 d . . . . .
W3 W 0.80546(6) 0.24914(6) 0.92417(4) 0.00661(16) Uani 1 1 d . . . . .
W4 W 0.67889(6) 0.23161(6) 1.04470(4) 0.00661(16) Uani 1 1 d . . . . .
W5 W 0.92548(6) -0.12361(6) -0.11320(4) 0.01022(15) Uani 1 1 d . . . . .
W6 W 1.02844(6) 0.20751(6) 0.00848(4) 0.01022(15) Uani 1 1 d . . . . .
W7 W 0.81576(6) 0.01865(6) 0.00861(4) 0.0103(2) Uani 1 1 d . . . . .
W8 W 1.07850(6) 0.13406(6) 0.12083(4) 0.01022(15) Uani 1 1 d . . . . .
P1 P 0.6667 0.3333 0.9253(5) 0.00661(16) Uani 1 3 d S T P . .
P2 P 1.0000 0.0000 0.0059(5) 0.00661(16) Uani 1 3 d S T P . .
S1 S 0.4861(6) 0.8102(8) 0.9641(4) 0.051(3) Uani 1 1 d . . . . .
S2 S 0.5218(7) 0.7205(6) 0.9614(4) 0.048(3) Uani 1 1 d . . . . .
O1 O 0.6571(10) 0.4073(10) 0.9053(7) 0.010(2) Uani 1 1 d . U . . .
O2 O 0.6667 0.3333 0.9868(11) 0.010(2) Uani 1 3 d S TU P . .
O3 O 0.7645(10) 0.2496(10) 0.9943(7) 0.010(3) Uani 1 1 d . U . . .
O4 O 0.5876(10) 0.2447(10) 1.0712(7) 0.010(2) Uani 1 1 d . U . . .
O5 O 0.6880(11) 0.1690(10) 1.0914(7) 0.012(3) Uani 1 1 d . U . . .
O6 O 0.6024(10) 0.1518(10) 0.9937(7) 0.0105(15) Uani 1 1 d . U . . .
O7 O 0.4657(10) 0.1047(10) 0.9352(7) 0.011(3) Uani 1 1 d . U . . .
O8 O 0.5486(11) 0.0080(11) 0.9278(7) 0.015(3) Uani 1 1 d . U . . .
O9 O 0.4538(10) 0.1825(10) 0.8490(7) 0.0105(15) Uani 1 1 d . U . . .
O10 O 0.5548(10) 0.1176(10) 0.8474(7) 0.0105(15) Uani 1 1 d . U . . .
O11 O 0.6908(10) 0.1624(10) 0.9095(7) 0.0105(15) Uani 1 1 d . U . . .
O12 O 0.8560(11) 0.1936(11) 0.9306(7) 0.013(3) Uani 1 1 d . U . . .
O13 O 0.5805(10) 0.3248(11) 0.8038(7) 0.012(3) Uani 1 1 d . U . . .
O14 O 0.5186(11) 0.1692(11) 0.7488(7) 0.016(3) Uani 1 1 d . U . . .
O15 O 1.0000 0.0000 -0.0550(11) 0.010(5) Uani 1 3 d S TU P . .
O16 O 1.0525(10) 0.0903(10) 0.0271(7) 0.0107(14) Uani 1 1 d . U . . .
O17 O 1.0381(10) -0.0584(10) -0.1393(7) 0.0107(14) Uani 1 1 d . U . . .
O18 O 0.8792(11) -0.2005(11) -0.1591(8) 0.019(4) Uani 1 1 d . U . . .
O19 O 0.8600(10) 0.0313(10) -0.0628(7) 0.0107(14) Uani 1 1 d . U . . .
O20 O 0.7522(10) -0.1010(10) -0.0029(7) 0.0107(14) Uani 1 1 d . U . . .
O21 O 0.7385(11) 0.0450(11) 0.0018(7) 0.015(3) Uani 1 1 d . U . . .
O22 O 0.9152(11) 0.1250(11) 0.0229(7) 0.014(3) Uani 1 1 d . U . . .
O23 O 1.0072(11) 0.1632(11) -0.0615(7) 0.013(3) Uani 1 1 d . U . . .
O24 O 1.0234(11) 0.2967(11) 0.0028(8) 0.018(3) Uani 1 1 d . U . . .
O25 O 1.0513(12) 0.2080(11) 0.0841(8) 0.021(3) Uani 1 1 d . U . . .
O26 O 0.9630(11) 0.0550(11) 0.1278(8) 0.015(3) Uani 1 1 d . U . . .
O27 O 1.1851(10) 0.1907(10) 0.0842(7) 0.0107(14) Uani 1 1 d . U . . .
O28 O 1.1046(12) 0.1822(12) 0.1821(8) 0.023(3) Uani 1 1 d . U . . .
C1 C 0.5342(19) 0.970(2) 1.0819(14) 0.030(6) Uani 1 1 d . U . . .
H1 H 0.5186 1.0102 1.0905 0.036 Uiso 1 1 calc R U . . .
C2 C 0.5013(18) 0.9198(19) 1.0369(13) 0.028(5) Uani 1 1 d . U . . .
H2 H 0.4590 0.9208 1.0168 0.034 Uiso 1 1 calc R U . . .
C3 C 0.5328(19) 0.8680(18) 1.0226(13) 0.027(6) Uani 1 1 d . U . . .
C4 C 0.5931(18) 0.8643(19) 1.0536(12) 0.026(5) Uani 1 1 d . U . . .
H4 H 0.6162 0.8311 1.0435 0.031 Uiso 1 1 calc R U . . .
C5 C 0.619(2) 0.912(2) 1.1006(13) 0.034(6) Uani 1 1 d . U . . .
H5 H 0.6569 0.9086 1.1236 0.040 Uiso 1 1 calc R U . . .
C6 C 0.662(3) 0.821(2) 0.8294(14) 0.044(7) Uani 1 1 d . U . . .
H6 H 0.6802 0.8674 0.8073 0.052 Uiso 1 1 calc R U . . .
C7 C 0.615(2) 0.813(2) 0.8726(14) 0.038(6) Uani 1 1 d . U . . .
H7 H 0.6031 0.8547 0.8813 0.046 Uiso 1 1 calc R U . . .
C8 C 0.586(2) 0.742(2) 0.9041(13) 0.032(6) Uani 1 1 d . U . . .
C9 C 0.607(2) 0.681(2) 0.8914(13) 0.038(6) Uani 1 1 d . U . . .
H9 H 0.5888 0.6333 0.9125 0.046 Uiso 1 1 calc R U . . .
C10 C 0.655(2) 0.694(2) 0.8474(13) 0.037(6) Uani 1 1 d . U . . .
H10 H 0.6680 0.6527 0.8376 0.044 Uiso 1 1 calc R U . . .
N1 N 0.587(2) 0.9615(19) 1.1120(13) 0.045(8) Uani 1 1 d . . . . .
H1A H 0.6030 0.9898 1.1414 0.054 Uiso 1 1 calc R U . . .
N2 N 0.6838(18) 0.7631(18) 0.8173(11) 0.037(7) Uani 1 1 d . . . . .
H2A H 0.7162 0.7705 0.7904 0.044 Uiso 1 1 calc R U . . .
O1W O 0.6526(14) 0.0322(13) 0.2112(9) 0.034(5) Uani 1 1 d . . . . .
O2W O 0.9291(12) 0.3543(12) 0.0632(8) 0.025(4) Uani 1 1 d . U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O14 1.716(18) . ?
W1 O13 1.903(17) . ?
W1 O13 1.916(17) 2_655 ?
W1 O9 1.922(17) . ?
W1 O10 1.931(16) . ?
W1 O1 2.450(17) 2_655 ?
W2 O8 1.694(18) . ?
W2 O11 1.891(16) . ?
W2 O10 1.907(17) . ?
W2 O6 1.913(17) . ?
W2 O7 1.953(17) . ?
W2 O1 2.437(16) 2_655 ?
W3 O12 1.690(16) . ?
W3 O7 1.898(16) 2_655 ?
W3 O3 1.904(17) . ?
W3 O9 1.908(17) 2_655 ?
W3 O11 1.930(17) . ?
W3 O1 2.435(16) 3_665 ?
W4 O5 1.698(17) . ?
W4 O3 1.906(16) . ?
W4 O6 1.915(17) . ?
W4 O4 1.920(16) . ?
W4 O4 1.923(16) 2_655 ?
W4 O2 2.453(17) . ?
W5 O18 1.678(18) . ?
W5 O17 1.907(17) . ?
W5 O19 1.912(17) 2_645 ?
W5 O17 1.915(17) 3_765 ?
W5 O23 1.921(18) 2_645 ?
W5 O15 2.450(17) . ?
W6 O24 1.688(18) . ?
W6 O23 1.881(18) . ?
W6 O22 1.892(17) . ?
W6 O20 1.930(16) 3_765 ?
W6 O25 1.93(2) . ?
W6 O16 2.440(16) . ?
W7 O21 1.715(16) . ?
W7 O22 1.920(17) . ?
W7 O20 1.920(16) . ?
W7 O19 1.923(17) . ?
W7 O27 1.926(17) 2_645 ?
W7 O16 2.453(17) 2_645 ?
W8 O28 1.709(19) . ?
W8 O26 1.880(18) . ?
W8 O25 1.896(19) . ?
W8 O26 1.920(18) 3_765 ?
W8 O27 1.922(17) . ?
W8 O16 2.440(17) . ?
P1 O1 1.531(16) . ?
P1 O1 1.532(16) 3_665 ?
P1 O1 1.532(17) 2_655 ?
P1 O2 1.53(3) . ?
P2 O15 1.52(3) . ?
P2 O16 1.531(17) 2_645 ?
P2 O16 1.531(17) 3_765 ?
P2 O16 1.531(17) . ?
S1 C3 1.75(3) . ?
S1 S2 2.049(15) . ?
S2 C8 1.76(3) . ?
O1 W3 2.435(16) 2_655 ?
O1 W2 2.437(16) 3_665 ?
O1 W1 2.450(17) 3_665 ?
O2 W4 2.453(17) 2_655 ?
O2 W4 2.453(17) 3_665 ?
O4 W4 1.923(16) 3_665 ?
O7 W3 1.898(16) 3_665 ?
O9 W3 1.908(17) 3_665 ?
O13 W1 1.916(17) 3_665 ?
O15 W5 2.450(17) 3_765 ?
O15 W5 2.450(17) 2_645 ?
O16 W7 2.453(17) 3_765 ?
O17 W5 1.915(17) 2_645 ?
O19 W5 1.912(17) 3_765 ?
O20 W6 1.930(16) 2_645 ?
O23 W5 1.921(18) 3_765 ?
O26 W8 1.920(18) 2_645 ?
O27 W7 1.926(17) 3_765 ?
C1 N1 1.30(4) . ?
C1 C2 1.39(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.38(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.38(4) . ?
C4 C5 1.39(5) . ?
C4 H4 0.9300 . ?
C5 N1 1.33(4) . ?
C5 H5 0.9300 . ?
C6 N2 1.33(5) . ?
C6 C7 1.34(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.37(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.39(4) . ?
C9 C10 1.35(5) . ?
C9 H9 0.9300 . ?
C10 N2 1.33(4) . ?
C10 H10 0.9300 . ?
N1 H1A 0.8600 . ?
N2 H2A 0.8600 . ?

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
O14 W1 O13 103.2(8) . . ?
O14 W1 O13 102.7(8) . 2_655 ?
O13 W1 O13 86.2(10) . 2_655 ?
O14 W1 O9 101.9(8) . . ?
O13 W1 O9 90.6(7) . . ?
O13 W1 O9 155.3(7) 2_655 . ?
O14 W1 O10 101.6(8) . . ?
O13 W1 O10 155.1(7) . . ?
O13 W1 O10 85.8(7) 2_655 . ?
O9 W1 O10 87.0(7) . . ?
O14 W1 O1 171.0(7) . 2_655 ?
O13 W1 O1 84.0(7) . 2_655 ?
O13 W1 O1 83.0(6) 2_655 2_655 ?
O9 W1 O1 72.3(6) . 2_655 ?
O10 W1 O1 71.6(6) . 2_655 ?
O8 W2 O11 100.6(8) . . ?
O8 W2 O10 101.8(8) . . ?
O11 W2 O10 90.1(7) . . ?
O8 W2 O6 103.2(8) . . ?
O11 W2 O6 86.2(7) . . ?
O10 W2 O6 155.1(7) . . ?
O8 W2 O7 102.8(8) . . ?
O11 W2 O7 156.5(7) . . ?
O10 W2 O7 87.5(7) . . ?
O6 W2 O7 86.2(7) . . ?
O8 W2 O1 172.2(7) . 2_655 ?
O11 W2 O1 84.8(6) . 2_655 ?
O10 W2 O1 72.3(6) . 2_655 ?
O6 W2 O1 82.8(6) . 2_655 ?
O7 W2 O1 72.2(6) . 2_655 ?
O12 W3 O7 101.3(8) . 2_655 ?
O12 W3 O3 104.5(8) . . ?
O7 W3 O3 89.6(7) 2_655 . ?
O12 W3 O9 100.4(8) . 2_655 ?
O7 W3 O9 88.2(7) 2_655 2_655 ?
O3 W3 O9 154.9(7) . 2_655 ?
O12 W3 O11 102.7(7) . . ?
O7 W3 O11 156.0(7) 2_655 . ?
O3 W3 O11 84.8(7) . . ?
O9 W3 O11 87.2(7) 2_655 . ?
O12 W3 O1 171.1(7) . 3_665 ?
O7 W3 O1 73.1(6) 2_655 3_665 ?
O3 W3 O1 82.6(6) . 3_665 ?
O9 W3 O1 72.8(6) 2_655 3_665 ?
O11 W3 O1 83.0(6) . 3_665 ?
O5 W4 O3 102.6(7) . . ?
O5 W4 O6 102.8(8) . . ?
O3 W4 O6 85.3(7) . . ?
O5 W4 O4 103.5(7) . . ?
O3 W4 O4 153.9(7) . . ?
O6 W4 O4 88.5(7) . . ?
O5 W4 O4 102.4(8) . 2_655 ?
O3 W4 O4 86.8(7) . 2_655 ?
O6 W4 O4 154.7(7) . 2_655 ?
O4 W4 O4 88.1(10) . 2_655 ?
O5 W4 O2 172.8(8) . . ?
O3 W4 O2 82.0(6) . . ?
O6 W4 O2 83.0(6) . . ?
O4 W4 O2 72.1(6) . . ?
O4 W4 O2 72.0(6) 2_655 . ?
O18 W5 O17 103.1(8) . . ?
O18 W5 O19 102.5(8) . 2_645 ?
O17 W5 O19 86.8(7) . 2_645 ?
O18 W5 O17 103.3(8) . 3_765 ?
O17 W5 O17 88.7(9) . 3_765 ?
O19 W5 O17 154.2(7) 2_645 3_765 ?
O18 W5 O23 101.8(8) . 2_645 ?
O17 W5 O23 154.8(7) . 2_645 ?
O19 W5 O23 84.1(7) 2_645 2_645 ?
O17 W5 O23 89.4(7) 3_765 2_645 ?
O18 W5 O15 173.4(9) . . ?
O17 W5 O15 72.3(6) . . ?
O19 W5 O15 82.3(6) 2_645 . ?
O17 W5 O15 72.2(6) 3_765 . ?
O23 W5 O15 83.2(6) 2_645 . ?
O24 W6 O23 103.9(8) . . ?
O24 W6 O22 102.7(8) . . ?
O23 W6 O22 85.7(7) . . ?
O24 W6 O20 102.2(8) . 3_765 ?
O23 W6 O20 88.8(7) . 3_765 ?
O22 W6 O20 155.1(7) . 3_765 ?
O24 W6 O25 101.2(8) . . ?
O23 W6 O25 154.9(7) . . ?
O22 W6 O25 88.0(8) . . ?
O20 W6 O25 86.7(7) 3_765 . ?
O24 W6 O16 171.2(7) . . ?
O23 W6 O16 83.5(6) . . ?
O22 W6 O16 82.5(7) . . ?
O20 W6 O16 72.7(6) 3_765 . ?
O25 W6 O16 71.6(7) . . ?
O21 W7 O22 103.3(8) . . ?
O21 W7 O20 101.0(8) . . ?
O22 W7 O20 155.7(7) . . ?
O21 W7 O19 103.3(8) . . ?
O22 W7 O19 85.5(7) . . ?
O20 W7 O19 88.7(7) . . ?
O21 W7 O27 101.4(8) . 2_645 ?
O22 W7 O27 88.3(7) . 2_645 ?
O20 W7 O27 87.2(7) . 2_645 ?
O19 W7 O27 155.2(7) . 2_645 ?
O21 W7 O16 170.9(7) . 2_645 ?
O22 W7 O16 83.3(6) . 2_645 ?
O20 W7 O16 72.6(6) . 2_645 ?
O19 W7 O16 83.3(6) . 2_645 ?
O27 W7 O16 72.2(6) 2_645 2_645 ?
O28 W8 O26 103.4(9) . . ?
O28 W8 O25 99.8(9) . . ?
O26 W8 O25 89.9(8) . . ?
O28 W8 O26 105.3(9) . 3_765 ?
O26 W8 O26 83.9(10) . 3_765 ?
O25 W8 O26 154.9(8) . 3_765 ?
O28 W8 O27 101.6(8) . . ?
O26 W8 O27 155.0(7) . . ?
O25 W8 O27 86.7(7) . . ?
O26 W8 O27 88.7(7) 3_765 . ?
O28 W8 O16 170.0(8) . . ?
O26 W8 O16 82.9(7) . . ?
O25 W8 O16 72.1(7) . . ?
O26 W8 O16 82.9(7) 3_765 . ?
O27 W8 O16 72.6(6) . . ?
O1 P1 O1 110.0(8) . 3_665 ?
O1 P1 O1 110.0(8) . 2_655 ?
O1 P1 O1 110.0(8) 3_665 2_655 ?
O1 P1 O2 109.0(8) . . ?
O1 P1 O2 109.0(8) 3_665 . ?
O1 P1 O2 109.0(8) 2_655 . ?
O15 P2 O16 110.1(8) . 2_645 ?
O15 P2 O16 110.1(8) . 3_765 ?
O16 P2 O16 108.8(8) 2_645 3_765 ?
O15 P2 O16 110.1(8) . . ?
O16 P2 O16 108.8(8) 2_645 . ?
O16 P2 O16 108.8(8) 3_765 . ?
C3 S1 S2 104.8(11) . . ?
C8 S2 S1 106.9(11) . . ?
P1 O1 W3 126.8(9) . 2_655 ?
P1 O1 W2 125.7(9) . 3_665 ?
W3 O1 W2 89.2(5) 2_655 3_665 ?
P1 O1 W1 125.3(10) . 3_665 ?
W3 O1 W1 88.7(5) 2_655 3_665 ?
W2 O1 W1 89.2(5) 3_665 3_665 ?
P1 O2 W4 126.0(5) . . ?
P1 O2 W4 126.0(5) . 2_655 ?
W4 O2 W4 88.9(8) . 2_655 ?
P1 O2 W4 126.0(5) . 3_665 ?
W4 O2 W4 88.9(8) . 3_665 ?
W4 O2 W4 88.9(8) 2_655 3_665 ?
W3 O3 W4 153.7(10) . . ?
W4 O4 W4 126.8(9) . 3_665 ?
W2 O6 W4 151.3(9) . . ?
W3 O7 W2 125.3(9) 3_665 . ?
W3 O9 W1 126.2(9) 3_665 . ?
W2 O10 W1 126.8(9) . . ?
W2 O11 W3 151.5(10) . . ?
W1 O13 W1 151.3(9) . 3_665 ?
P2 O15 W5 126.4(5) . . ?
P2 O15 W5 126.4(5) . 3_765 ?
W5 O15 W5 88.4(8) . 3_765 ?
P2 O15 W5 126.4(5) . 2_645 ?
W5 O15 W5 88.4(8) . 2_645 ?
W5 O15 W5 88.4(8) 3_765 2_645 ?
P2 O16 W6 126.3(9) . . ?
P2 O16 W8 126.8(10) . . ?
W6 O16 W8 89.1(5) . . ?
P2 O16 W7 124.8(9) . 3_765 ?
W6 O16 W7 88.9(6) . 3_765 ?
W8 O16 W7 89.0(5) . 3_765 ?
W5 O17 W5 126.8(9) . 2_645 ?
W5 O19 W7 152.3(9) 3_765 . ?
W7 O20 W6 125.8(8) . 2_645 ?
W6 O22 W7 151.5(10) . . ?
W6 O23 W5 153.6(10) . 3_765 ?
W8 O25 W6 127.0(9) . . ?
W8 O26 W8 153.5(10) . 2_645 ?
W8 O27 W7 126.1(9) . 3_765 ?
N1 C1 C2 119(3) . . ?
N1 C1 H1 120.5 . . ?
C2 C1 H1 120.5 . . ?
C3 C2 C1 118(3) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C4 C3 C2 121(3) . . ?
C4 C3 S1 127(2) . . ?
C2 C3 S1 113(2) . . ?
C3 C4 C5 118(3) . . ?
C3 C4 H4 121.1 . . ?
C5 C4 H4 121.1 . . ?
N1 C5 C4 119(3) . . ?
N1 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
N2 C6 C7 121(3) . . ?
N2 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C6 C7 C8 120(3) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C7 C8 C9 119(3) . . ?
C7 C8 S2 125(2) . . ?
C9 C8 S2 115(2) . . ?
C10 C9 C8 118(3) . . ?
C10 C9 H9 121.1 . . ?
C8 C9 H9 121.1 . . ?
N2 C10 C9 122(3) . . ?
N2 C10 H10 118.8 . . ?
C9 C10 H10 118.8 . . ?
C1 N1 C5 125(3) . . ?
C1 N1 H1A 117.7 . . ?
C5 N1 H1A 117.7 . . ?
C6 N2 C10 119(3) . . ?
C6 N2 H2A 120.3 . . ?
C10 N2 H2A 120.3 . . ?

_refine_diff_density_max         4.717
_refine_diff_density_min         -3.794
_refine_diff_density_rms         0.336

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_20120704hzgcs6_0m
_database_code_depnum_ccdc_archive 'CCDC 1813850'
_audit_update_record             
;
2017-12-26 deposited with the CCDC.
2018-02-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H24 N4 O46 P S2 W12'
_chemical_formula_weight         3357.59

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'
P P 0.1023 0.0942 '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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.5893(11)
_cell_length_b                   14.0435(13)
_cell_length_c                   18.6103(14)
_cell_angle_alpha                90
_cell_angle_beta                 123.117(4)
_cell_angle_gamma                90
_cell_volume                     2536.9(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7614
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      30.50

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.390
_exptl_crystal_F_000             2941
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_absorpt_coefficient_mu    27.316
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.013
_exptl_absorpt_correction_T_max  0.029
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12454
_diffrn_reflns_av_unetI/netI     0.0479
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.952
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.971
_reflns_number_total             4452
_reflns_number_gt                4217
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1082P)²+172.2788P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4452
_refine_ls_number_parameters     367
_refine_ls_number_restraints     480
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0631
_refine_ls_wR_factor_ref         0.1815
_refine_ls_wR_factor_gt          0.1790
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.043
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 1.01406(8) 0.23260(6) 0.58190(5) 0.0192(2) Uani 1 1 d . . . . .
W2 W 0.73575(9) -0.05864(7) 0.28514(5) 0.0239(3) Uani 1 1 d . . . . .
W3 W 0.91815(9) 0.03404(6) 0.65751(5) 0.0214(2) Uani 1 1 d . . . . .
W4 W 0.65452(9) -0.02597(6) 0.44199(6) 0.0252(3) Uani 1 1 d . . . . .
W5 W 0.90549(9) -0.19912(6) 0.57639(6) 0.0229(2) Uani 1 1 d . . . . .
W6 W 0.74838(9) 0.17406(6) 0.36673(6) 0.0245(3) Uani 1 1 d . . . . .
P1 P 1.0000 0.0000 0.5000 0.0131(13) Uani 1 2 d S . P . .
O1 O 0.965(5) -0.058(4) 0.421(3) 0.024(3) Uani 0.3 1 d . U P . .
O2 O 0.914(3) -0.033(2) 0.535(2) 0.026(4) Uani 0.5 1 d . U P . .
O3 O 0.610(2) -0.0822(17) 0.1834(14) 0.056(5) Uani 1 1 d . U . . .
O4 O 0.709(2) 0.0745(13) 0.2855(13) 0.046(4) Uani 1 1 d . U . . .
O5 O 0.631(2) 0.2553(14) 0.3041(13) 0.046(4) Uani 1 1 d . U . . .
O6 O 0.8458(19) 0.2353(15) 0.4774(13) 0.046(4) Uani 1 1 d . U . . .
O7 O 0.648(2) 0.1018(14) 0.3997(14) 0.048(4) Uani 1 1 d . U . . .
O8 O 0.492(2) -0.0399(13) 0.4141(14) 0.046(4) Uani 1 1 d . U . . .
O9 O 1.0223(19) 0.3418(15) 0.6204(14) 0.049(4) Uani 1 1 d . U . . .
O10 O 1.098(2) 0.2532(18) 0.5189(14) 0.057(5) Uani 1 1 d . U . . .
O11 O 0.642(2) -0.0703(15) 0.3432(15) 0.055(4) Uani 1 1 d . U . . .
O12 O 0.9258(19) 0.1591(15) 0.6245(14) 0.050(4) Uani 1 1 d . U . . .
O13 O 0.747(2) 0.0274(14) 0.5551(15) 0.064(5) Uani 1 1 d . U . . .
O14 O 0.875(2) 0.0514(15) 0.7306(13) 0.048(4) Uani 1 1 d . U . . .
O15 O 1.113(2) 0.0310(13) 0.7247(13) 0.046(4) Uani 1 1 d . U . . .
O16 O 0.925(2) -0.0996(14) 0.6535(14) 0.061(5) Uani 1 1 d . U . . .
O17 O 1.183(2) 0.1789(16) 0.6707(15) 0.056(5) Uani 1 1 d . U . . .
O18 O 0.727(2) -0.1448(15) 0.4953(14) 0.062(5) Uani 1 1 d . U . . .
O19 O 1.100(2) -0.2071(17) 0.6411(12) 0.053(5) Uani 1 1 d . U . . .
O20 O 0.862(2) -0.2907(14) 0.6121(12) 0.049(4) Uani 1 1 d . U . . .
S1 S 0.7374(9) 0.5080(5) 0.5642(5) 0.0471(18) Uani 1 1 d . . . . .
C1 C 0.724(2) 0.2546(17) 0.6525(14) 0.028(3) Uani 1 1 d . . . . .
H1 H 0.7647 0.2249 0.7057 0.034 Uiso 1 1 calc R U . . .
C3 C 0.699(2) 0.3883(17) 0.5673(14) 0.028(5) Uani 1 1 d . . . . .
C4 C 0.601(3) 0.3362(19) 0.4927(14) 0.035(6) Uani 1 1 d . . . . .
H4 H 0.5586 0.3637 0.4386 0.042 Uiso 1 1 calc R U . . .
C5 C 0.568(2) 0.2450(19) 0.5020(15) 0.035(6) Uani 1 1 d . . . . .
H5 H 0.5037 0.2100 0.4542 0.041 Uiso 1 1 calc R U . . .
C6 C 0.735(5) 0.495(3) 0.350(2) 0.077(12) Uani 1 1 d . . . . .
H6 H 0.7670 0.4559 0.3245 0.092 Uiso 1 1 calc R U . . .
C7 C 0.751(3) 0.469(2) 0.421(2) 0.047(7) Uani 1 1 d . . . . .
H7 H 0.7925 0.4111 0.4457 0.056 Uiso 1 1 calc R U . . .
C8 C 0.706(3) 0.5260(17) 0.4619(16) 0.035(6) Uani 1 1 d . . . . .
C9 C 0.642(3) 0.615(2) 0.4224(16) 0.040(6) Uani 1 1 d . . . . .
H9 H 0.6052 0.6533 0.4458 0.048 Uiso 1 1 calc R U . . .
C10 C 0.635(3) 0.6408(19) 0.3496(17) 0.041(7) Uani 1 1 d . . . . .
H10 H 0.6030 0.7010 0.3261 0.049 Uiso 1 1 calc R U . . .
N1 N 0.6300(19) 0.2075(14) 0.5796(14) 0.032(5) Uani 1 1 d . . . . .
H1A H 0.6095 0.1499 0.5843 0.038 Uiso 1 1 calc R U . . .
N2 N 0.674(3) 0.579(2) 0.3128(17) 0.059(7) Uani 1 1 d . . . . .
H2 H 0.6599 0.5924 0.2635 0.071 Uiso 1 1 calc R U . . .
O1W O 0.311(2) 0.1643(17) 0.3191(14) 0.058(5) Uani 1 1 d . U . . .
O1' O 0.975(2) 0.1089(15) 0.4785(14) 0.024(3) Uani 0.7 1 d . U P . .
O2' O 0.848(3) 0.017(2) 0.427(2) 0.026(4) Uani 0.5 1 d . U P . .
C2 C 0.759(2) 0.3480(17) 0.6464(14) 0.028(3) Uani 1 1 d . . . . .
H2A H 0.8220 0.3820 0.6954 0.034 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O9 1.67(2) . ?
W1 O6 1.855(19) . ?
W1 O17 1.89(2) . ?
W1 O12 1.91(2) . ?
W1 O10 1.91(2) . ?
W1 O1' 2.44(2) . ?
W1 O1 2.47(5) 3_756 ?
W2 O3 1.67(2) . ?
W2 O17 1.89(2) 3_756 ?
W2 O15 1.90(2) 3_756 ?
W2 O4 1.896(19) . ?
W2 O11 1.92(2) . ?
W2 O2' 2.46(3) . ?
W2 O1 2.47(5) . ?
W3 O14 1.705(19) . ?
W3 O13 1.85(2) . ?
W3 O12 1.88(2) . ?
W3 O16 1.88(2) . ?
W3 O15 1.895(19) . ?
W3 O2 2.44(3) . ?
W3 O1 2.50(4) 3_756 ?
W4 O8 1.671(19) . ?
W4 O11 1.87(2) . ?
W4 O18 1.89(2) . ?
W4 O13 1.92(2) . ?
W4 O7 1.94(2) . ?
W4 O2' 2.47(3) . ?
W4 O2 2.52(3) . ?
W5 O20 1.651(17) . ?
W5 O19 1.90(2) . ?
W5 O10 1.91(2) 3_756 ?
W5 O16 1.93(2) . ?
W5 O18 1.93(2) . ?
W5 O1' 2.470(19) 3_756 ?
W5 O2 2.48(3) . ?
W6 O5 1.669(19) . ?
W6 O7 1.884(19) . ?
W6 O19 1.89(2) 3_756 ?
W6 O4 1.922(18) . ?
W6 O6 1.93(2) . ?
W6 O2' 2.46(3) . ?
W6 O1' 2.47(2) . ?
P1 O1 1.53(5) 3_756 ?
P1 O1 1.53(5) . ?
P1 O2 1.53(3) . ?
P1 O2 1.53(3) 3_756 ?
P1 O2' 1.55(3) 3_756 ?
P1 O2' 1.55(3) . ?
P1 O1' 1.57(2) . ?
P1 O1' 1.57(2) 3_756 ?
O1 O2 1.73(6) 3_756 ?
O1 O1' 1.75(6) 3_756 ?
O1 O2' 1.77(6) . ?
O1 W1 2.47(5) 3_756 ?
O1 W3 2.50(4) 3_756 ?
O2 O1 1.73(6) 3_756 ?
O2 O1' 1.79(4) 3_756 ?
O2 O2' 1.85(4) . ?
O10 W5 1.91(2) 3_756 ?
O15 W2 1.90(2) 3_756 ?
O17 W2 1.89(2) 3_756 ?
O19 W6 1.89(2) 3_756 ?
S1 C3 1.75(2) . ?
S1 C8 1.75(3) . ?
C1 N1 1.36(3) . ?
C1 C2 1.40(3) . ?
C1 H1 0.9300 . ?
C3 C2 1.36(3) . ?
C3 C4 1.43(3) . ?
C4 C5 1.37(4) . ?
C4 H4 0.9300 . ?
C5 N1 1.32(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.28(5) . ?
C6 N2 1.35(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.38(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.43(4) . ?
C9 C10 1.36(4) . ?
C9 H9 0.9300 . ?
C10 N2 1.33(4) . ?
C10 H10 0.9300 . ?
N1 H1A 0.8600 . ?
N2 H2 0.8600 . ?
O1' O1 1.75(6) 3_756 ?
O1' O2 1.79(4) 3_756 ?
O1' O2' 1.80(4) . ?
O1' W5 2.470(19) 3_756 ?
C2 H2A 0.9300 . ?

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
O9 W1 O6 102.2(10) . . ?
O9 W1 O17 101.6(10) . . ?
O6 W1 O17 156.2(10) . . ?
O9 W1 O12 103.7(10) . . ?
O6 W1 O12 87.2(9) . . ?
O17 W1 O12 87.4(8) . . ?
O9 W1 O10 101.2(10) . . ?
O6 W1 O10 87.1(8) . . ?
O17 W1 O10 88.1(9) . . ?
O12 W1 O10 155.1(10) . . ?
O9 W1 O1' 158.6(9) . . ?
O6 W1 O1' 63.5(8) . . ?
O17 W1 O1' 93.6(9) . . ?
O12 W1 O1' 91.9(8) . . ?
O10 W1 O1' 64.0(8) . . ?
O9 W1 O1 159.5(14) . 3_756 ?
O6 W1 O1 93.4(14) . 3_756 ?
O17 W1 O1 63.6(14) . 3_756 ?
O12 W1 O1 63.4(12) . 3_756 ?
O10 W1 O1 92.7(13) . 3_756 ?
O1' W1 O1 41.9(13) . 3_756 ?
O3 W2 O17 103.6(11) . 3_756 ?
O3 W2 O15 102.1(10) . 3_756 ?
O17 W2 O15 87.5(8) 3_756 3_756 ?
O3 W2 O4 99.0(11) . . ?
O17 W2 O4 157.4(10) 3_756 . ?
O15 W2 O4 87.7(8) 3_756 . ?
O3 W2 O11 102.0(11) . . ?
O17 W2 O11 88.9(9) 3_756 . ?
O15 W2 O11 155.7(10) 3_756 . ?
O4 W2 O11 86.4(8) . . ?
O3 W2 O2' 157.3(11) . . ?
O17 W2 O2' 94.3(11) 3_756 . ?
O15 W2 O2' 92.5(9) 3_756 . ?
O4 W2 O2' 63.9(10) . . ?
O11 W2 O2' 63.8(9) . . ?
O3 W2 O1 160.5(14) . . ?
O17 W2 O1 63.6(14) 3_756 . ?
O15 W2 O1 64.3(12) 3_756 . ?
O4 W2 O1 94.5(14) . . ?
O11 W2 O1 92.8(13) . . ?
O2' W2 O1 42.2(13) . . ?
O14 W3 O13 102.4(11) . . ?
O14 W3 O12 102.3(10) . . ?
O13 W3 O12 85.7(9) . . ?
O14 W3 O16 102.3(11) . . ?
O13 W3 O16 87.4(8) . . ?
O12 W3 O16 155.3(11) . . ?
O14 W3 O15 104.0(10) . . ?
O13 W3 O15 153.6(11) . . ?
O12 W3 O15 89.1(8) . . ?
O16 W3 O15 86.7(9) . . ?
O14 W3 O2 159.4(10) . . ?
O13 W3 O2 63.6(11) . . ?
O12 W3 O2 92.0(10) . . ?
O16 W3 O2 63.8(11) . . ?
O15 W3 O2 90.8(10) . . ?
O14 W3 O1 159.5(14) . 3_756 ?
O13 W3 O1 91.2(15) . 3_756 ?
O12 W3 O1 63.0(13) . 3_756 ?
O16 W3 O1 93.6(14) . 3_756 ?
O15 W3 O1 63.6(14) . 3_756 ?
O2 W3 O1 41.1(13) . 3_756 ?
O8 W4 O11 100.7(10) . . ?
O8 W4 O18 99.4(11) . . ?
O11 W4 O18 89.8(10) . . ?
O8 W4 O13 104.4(11) . . ?
O11 W4 O13 154.9(11) . . ?
O18 W4 O13 87.0(9) . . ?
O8 W4 O7 101.1(9) . . ?
O11 W4 O7 86.9(9) . . ?
O18 W4 O7 159.5(10) . . ?
O13 W4 O7 87.5(9) . . ?
O8 W4 O2' 158.3(11) . . ?
O11 W4 O2' 64.1(10) . . ?
O18 W4 O2' 96.0(11) . . ?
O13 W4 O2' 91.5(11) . . ?
O7 W4 O2' 64.4(9) . . ?
O8 W4 O2 158.1(10) . . ?
O11 W4 O2 95.1(10) . . ?
O18 W4 O2 65.4(10) . . ?
O13 W4 O2 61.0(10) . . ?
O7 W4 O2 94.7(9) . . ?
O2' W4 O2 43.5(10) . . ?
O20 W5 O19 102.7(10) . . ?
O20 W5 O10 102.1(11) . 3_756 ?
O19 W5 O10 88.9(8) . 3_756 ?
O20 W5 O16 101.7(11) . . ?
O19 W5 O16 87.4(9) . . ?
O10 W5 O16 156.2(11) 3_756 . ?
O20 W5 O18 100.9(11) . . ?
O19 W5 O18 156.4(11) . . ?
O10 W5 O18 87.8(10) 3_756 . ?
O16 W5 O18 86.3(9) . . ?
O20 W5 O1' 158.6(10) . 3_756 ?
O19 W5 O1' 63.4(8) . 3_756 ?
O10 W5 O1' 63.4(9) 3_756 3_756 ?
O16 W5 O1' 94.1(10) . 3_756 ?
O18 W5 O1' 94.4(10) . 3_756 ?
O20 W5 O2 158.9(11) . . ?
O19 W5 O2 90.9(10) . . ?
O10 W5 O2 94.2(10) 3_756 . ?
O16 W5 O2 62.4(10) . . ?
O18 W5 O2 66.0(10) . . ?
O1' W5 O2 42.5(8) 3_756 . ?
O5 W6 O7 100.3(10) . . ?
O5 W6 O19 102.5(10) . 3_756 ?
O7 W6 O19 157.1(10) . 3_756 ?
O5 W6 O4 101.3(10) . . ?
O7 W6 O4 86.7(8) . . ?
O19 W6 O4 87.1(9) 3_756 . ?
O5 W6 O6 102.6(9) . . ?
O7 W6 O6 89.8(8) . . ?
O19 W6 O6 87.0(8) 3_756 . ?
O4 W6 O6 156.0(9) . . ?
O5 W6 O2' 158.9(10) . . ?
O7 W6 O2' 65.5(9) . . ?
O19 W6 O2' 92.0(10) 3_756 . ?
O4 W6 O2' 63.8(10) . . ?
O6 W6 O2' 93.3(10) . . ?
O5 W6 O1' 158.4(9) . . ?
O7 W6 O1' 95.1(8) . . ?
O19 W6 O1' 63.4(8) 3_756 . ?
O4 W6 O1' 94.5(8) . . ?
O6 W6 O1' 62.2(8) . . ?
O2' W6 O1' 42.7(9) . . ?
O1 P1 O1 180.0 3_756 . ?
O1 P1 O2 69(2) 3_756 . ?
O1 P1 O2 111(2) . . ?
O1 P1 O2 111(2) 3_756 3_756 ?
O1 P1 O2 69(2) . 3_756 ?
O2 P1 O2 180.0 . 3_756 ?
O1 P1 O2' 70(2) 3_756 3_756 ?
O1 P1 O2' 110(2) . 3_756 ?
O2 P1 O2' 106.0(16) . 3_756 ?
O2 P1 O2' 74.0(16) 3_756 3_756 ?
O1 P1 O2' 110(2) 3_756 . ?
O1 P1 O2' 70(2) . . ?
O2 P1 O2' 74.0(16) . . ?
O2 P1 O2' 106.0(16) 3_756 . ?
O2' P1 O2' 180.0 3_756 . ?
O1 P1 O1' 69(2) 3_756 . ?
O1 P1 O1' 111(2) . . ?
O2 P1 O1' 109.3(13) . . ?
O2 P1 O1' 70.7(13) 3_756 . ?
O2' P1 O1' 109.7(14) 3_756 . ?
O2' P1 O1' 70.3(14) . . ?
O1 P1 O1' 111(2) 3_756 3_756 ?
O1 P1 O1' 69(2) . 3_756 ?
O2 P1 O1' 70.7(13) . 3_756 ?
O2 P1 O1' 109.3(13) 3_756 3_756 ?
O2' P1 O1' 70.3(14) 3_756 3_756 ?
O2' P1 O1' 109.7(14) . 3_756 ?
O1' P1 O1' 180.0 . 3_756 ?
P1 O1 O2 55.5(19) . 3_756 ?
P1 O1 O1' 56.5(18) . 3_756 ?
O2 O1 O1' 93(3) 3_756 3_756 ?
P1 O1 O2' 55.3(19) . . ?
O2 O1 O2' 89(3) 3_756 . ?
O1' O1 O2' 92(2) 3_756 . ?
P1 O1 W1 125(3) . 3_756 ?
O2 O1 W1 132(3) 3_756 3_756 ?
O1' O1 W1 68.4(18) 3_756 3_756 ?
O2' O1 W1 133(2) . 3_756 ?
P1 O1 W2 124(3) . . ?
O2 O1 W2 129(3) 3_756 . ?
O1' O1 W2 132(2) 3_756 . ?
O2' O1 W2 68.7(19) . . ?
W1 O1 W2 92.3(17) 3_756 . ?
P1 O1 W3 123(3) . 3_756 ?
O2 O1 W3 67.5(17) 3_756 3_756 ?
O1' O1 W3 131(3) 3_756 3_756 ?
O2' O1 W3 130(3) . 3_756 ?
W1 O1 W3 91.7(16) 3_756 3_756 ?
W2 O1 W3 91.5(17) . 3_756 ?
P1 O2 O1 55.5(18) . 3_756 ?
P1 O2 O1' 55.6(11) . 3_756 ?
O1 O2 O1' 93(2) 3_756 3_756 ?
P1 O2 O2' 53.4(13) . . ?
O1 O2 O2' 89(2) 3_756 . ?
O1' O2 O2' 88.6(17) 3_756 . ?
P1 O2 W3 126.9(17) . . ?
O1 O2 W3 71.4(18) 3_756 . ?
O1' O2 W3 135.6(18) 3_756 . ?
O2' O2 W3 130.7(18) . . ?
P1 O2 W5 124.1(16) . . ?
O1 O2 W5 135(2) 3_756 . ?
O1' O2 W5 68.5(12) 3_756 . ?
O2' O2 W5 128.8(18) . . ?
W3 O2 W5 93.3(10) . . ?
P1 O2 W4 120.2(17) . . ?
O1 O2 W4 131(2) 3_756 . ?
O1' O2 W4 126.9(17) 3_756 . ?
O2' O2 W4 66.7(14) . . ?
W3 O2 W4 92.0(10) . . ?
W5 O2 W4 90.8(10) . . ?
W2 O4 W6 138.7(12) . . ?
W1 O6 W6 141.0(11) . . ?
W6 O7 W4 137.2(12) . . ?
W1 O10 W5 138.6(13) . 3_756 ?
W4 O11 W2 139.7(12) . . ?
W3 O12 W1 140.8(12) . . ?
W3 O13 W4 142.4(14) . . ?
W3 O15 W2 139.8(11) . 3_756 ?
W3 O16 W5 139.8(15) . . ?
W2 O17 W1 140.1(13) 3_756 . ?
W4 O18 W5 137.7(13) . . ?
W5 O19 W6 140.1(12) . 3_756 ?
C3 S1 C8 105.6(11) . . ?
N1 C1 C2 119(2) . . ?
N1 C1 H1 120.5 . . ?
C2 C1 H1 120.5 . . ?
C2 C3 C4 120(2) . . ?
C2 C3 S1 116.6(18) . . ?
C4 C3 S1 123.0(19) . . ?
C5 C4 C3 119(2) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N1 C5 C4 119(2) . . ?
N1 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C7 C6 N2 121(3) . . ?
C7 C6 H6 119.4 . . ?
N2 C6 H6 119.4 . . ?
C6 C7 C8 121(3) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C7 C8 C9 118(2) . . ?
C7 C8 S1 127(2) . . ?
C9 C8 S1 115(2) . . ?
C10 C9 C8 118(3) . . ?
C10 C9 H9 120.8 . . ?
C8 C9 H9 120.8 . . ?
N2 C10 C9 119(3) . . ?
N2 C10 H10 120.5 . . ?
C9 C10 H10 120.5 . . ?
C5 N1 C1 124(2) . . ?
C5 N1 H1A 118.1 . . ?
C1 N1 H1A 118.1 . . ?
C10 N2 C6 122(3) . . ?
C10 N2 H2 119.0 . . ?
C6 N2 H2 119.0 . . ?
P1 O1' O1 54.6(18) . 3_756 ?
P1 O1' O2 53.8(12) . 3_756 ?
O1 O1' O2 91(2) 3_756 3_756 ?
P1 O1' O2' 54.4(12) . . ?
O1 O1' O2' 90(2) 3_756 . ?
O2 O1' O2' 86.6(17) 3_756 . ?
P1 O1' W1 124.3(12) . . ?
O1 O1' W1 69.8(18) 3_756 . ?
O2 O1' W1 134.4(15) 3_756 . ?
O2' O1' W1 132.3(13) . . ?
P1 O1' W5 122.7(10) . 3_756 ?
O1 O1' W5 131.7(19) 3_756 3_756 ?
O2 O1' W5 69.0(11) 3_756 3_756 ?
O2' O1' W5 129.3(14) . 3_756 ?
W1 O1' W5 93.3(7) . 3_756 ?
P1 O1' W6 122.6(11) . . ?
O1 O1' W6 132.0(18) 3_756 . ?
O2 O1' W6 127.9(15) 3_756 . ?
O2' O1' W6 68.2(12) . . ?
W1 O1' W6 93.0(7) . . ?
W5 O1' W6 92.3(7) 3_756 . ?
P1 O2' O1 54(2) . . ?
P1 O2' O1' 55.3(12) . . ?
O1 O2' O1' 91(2) . . ?
P1 O2' O2 52.6(13) . . ?
O1 O2' O2 88(2) . . ?
O1' O2' O2 87.7(18) . . ?
P1 O2' W6 124.3(16) . . ?
O1 O2' W6 133(2) . . ?
O1' O2' W6 69.1(12) . . ?
O2 O2' W6 130.5(17) . . ?
P1 O2' W2 123.5(16) . . ?
O1 O2' W2 69(2) . . ?
O1' O2' W2 132.8(15) . . ?
O2 O2' W2 131.7(18) . . ?
W6 O2' W2 93.2(11) . . ?
P1 O2' W4 122.3(16) . . ?
O1 O2' W4 129(2) . . ?
O1' O2' W4 130.5(16) . . ?
O2 O2' W4 69.7(13) . . ?
W6 O2' W4 92.6(10) . . ?
W2 O2' W4 92.1(10) . . ?
C3 C2 C1 119(2) . . ?
C3 C2 H2A 120.7 . . ?
C1 C2 H2A 120.7 . . ?

_refine_diff_density_max         2.918
_refine_diff_density_min         -4.593
_refine_diff_density_rms         0.608

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_286
_database_code_depnum_ccdc_archive 'CCDC 1813851'
_audit_update_record             
;
2017-12-26 deposited with the CCDC.
2018-02-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H48 Ag12 N4 O137 P4 S4 W36'
_chemical_formula_weight         10701.46

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'
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'
P P 0.1023 0.0942 '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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.9281(17)
_cell_length_b                   20.076(2)
_cell_length_c                   26.708(3)
_cell_angle_alpha                90
_cell_angle_beta                 120.559(5)
_cell_angle_gamma                90
_cell_volume                     6892.5(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3135
_cell_measurement_theta_min      2.51
_cell_measurement_theta_max      26.80

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    5.156
_exptl_crystal_F_000             9284
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    31.782
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.002
_exptl_absorpt_correction_T_max  0.009
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34429
_diffrn_reflns_av_unetI/netI     0.0939
_diffrn_reflns_av_R_equivalents  0.0817
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.346
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.975
_reflns_number_total             12137
_reflns_number_gt                7719
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0669P)²+27.0255P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12137
_refine_ls_number_parameters     976
_refine_ls_number_restraints     2136
_refine_ls_R_factor_all          0.0966
_refine_ls_R_factor_gt           0.0533
_refine_ls_wR_factor_ref         0.1565
_refine_ls_wR_factor_gt          0.1297
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      0.979
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.67305(9) 0.08050(5) 0.26316(5) 0.0177(3) Uani 1 1 d . . . . .
W2 W 0.42727(9) 0.17590(5) 0.19778(5) 0.0216(3) Uani 1 1 d . . . . .
W3 W 0.50190(9) 0.25266(5) 0.32511(5) 0.0194(3) Uani 1 1 d . . . . .
W4 W 0.43702(9) 0.34554(5) 0.20572(5) 0.0198(3) Uani 1 1 d . . . . .
W5 W 0.74786(9) 0.15708(5) 0.39041(5) 0.0157(2) Uani 1 1 d . . . . .
W6 W 0.59391(9) 0.18176(5) 0.13194(5) 0.0202(3) Uani 1 1 d . . . . .
W7 W 0.69053(9) 0.43186(5) 0.28153(5) 0.0179(3) Uani 1 1 d . . . . .
W8 W 0.60676(9) 0.34834(5) 0.14126(5) 0.0183(3) Uani 1 1 d . . . . .
W9 W 0.75734(9) 0.33932(5) 0.40027(5) 0.0172(3) Uani 1 1 d . . . . .
W10 W 1.03356(9) 0.33701(5) 0.43179(5) 0.0178(3) Uani 1 1 d . . . . .
W11 W 0.96464(9) 0.42919(5) 0.31235(5) 0.0177(3) Uani 1 1 d . . . . .
W12 W 0.88121(9) 0.34630(5) 0.17301(5) 0.0174(2) Uani 1 1 d . . . . .
W13 W 1.15670(9) 0.33918(5) 0.28863(5) 0.0208(3) Uani 1 1 d . . . . .
W14 W 1.14601(9) 0.17068(5) 0.27810(5) 0.0221(3) Uani 1 1 d . . . . .
W15 W 0.86938(9) 0.17869(5) 0.16287(5) 0.0193(3) Uani 1 1 d . . . . .
W16 W 0.94737(9) 0.07787(5) 0.29379(5) 0.0178(3) Uani 1 1 d . . . . .
W17 W 1.22724(9) 0.24574(5) 0.40843(5) 0.0211(3) Uani 1 1 d . . . . .
W18 W 1.02310(9) 0.15418(5) 0.42112(5) 0.0164(2) Uani 1 1 d . . . . .
P1 P 0.6701(5) 0.2565(3) 0.2677(3) 0.0115(14) Uani 1 1 d . . . . .
P2 P 0.9622(5) 0.2543(3) 0.3014(3) 0.0117(14) Uani 1 1 d . . . . .
Ag1 Ag 1.0000 0.0000 0.5000 0.0327(8) Uani 1 2 d S U P . .
Ag2 Ag 0.78517(19) -0.02661(12) 0.40748(12) 0.0415(6) Uani 1 1 d . U . . .
Ag3 Ag 1.13845(19) -0.02430(12) 0.45140(12) 0.0437(7) Uani 1 1 d . U . . .
Ag4 Ag 0.6653(3) -0.14848(16) 0.45776(16) 0.0528(10) Uani 0.75 1 d . U P . .
Ag5 Ag 0.5828(5) -0.0811(2) 0.1721(2) 0.0474(13) Uani 0.5 1 d . U P . .
Ag6 Ag 0.6558(6) -0.0822(3) 0.0533(3) 0.0722(18) Uani 0.5 1 d . U P . .
Ag7 Ag 0.8659(5) 0.0381(3) 0.0492(3) 0.0569(15) Uani 0.5 1 d . U P . .
Ag8 Ag 1.2196(5) 0.4513(3) 0.5816(3) 0.0635(17) Uani 0.5 1 d . U P . .
Ag9 Ag 0.4314(12) -0.1973(4) 0.0219(4) 0.185(5) Uani 0.5 1 d . U P . .
Ag10 Ag 0.5955(16) 0.0333(11) -0.0367(10) 0.151(7) Uani 0.25 1 d . U P . .
O1 O 0.6086(14) 0.1854(8) 0.3587(8) 0.020(3) Uani 1 1 d . U . . .
O2 O 0.6670(13) 0.2598(7) 0.2085(7) 0.0160(16) Uani 1 1 d . U . . .
O3 O 0.7183(14) 0.1911(7) 0.2996(7) 0.0160(16) Uani 1 1 d . U . . .
O4 O 0.5547(14) 0.2573(7) 0.2536(7) 0.0160(16) Uani 1 1 d . U . . .
O5 O 0.7259(13) 0.3162(7) 0.3061(7) 0.017(3) Uani 1 1 d . U . . .
O6 O 1.0774(14) 0.2531(7) 0.3136(7) 0.0155(19) Uani 1 1 d . U . . .
O7 O 0.8907(14) 0.2595(7) 0.2346(7) 0.0155(19) Uani 1 1 d . U . . .
O8 O 0.9422(14) 0.1898(7) 0.3252(8) 0.019(3) Uani 1 1 d . U . . .
O9 O 0.9508(14) 0.3150(7) 0.3316(7) 0.017(3) Uani 1 1 d . U . . .
O10 O 0.7055(14) 0.0790(8) 0.3431(8) 0.023(3) Uani 1 1 d . U . . .
O11 O 0.5403(14) 0.1151(8) 0.2420(8) 0.024(3) Uani 1 1 d . U . . .
O12 O 0.7621(15) 0.1237(8) 0.4534(8) 0.026(3) Uani 1 1 d . U . . .
O13 O 0.3197(15) 0.1294(8) 0.1551(8) 0.026(4) Uani 1 1 d . U . . .
O14 O 0.4203(14) 0.1913(7) 0.2662(7) 0.018(3) Uani 1 1 d . U . . .
O15 O 0.4260(14) 0.3229(8) 0.2735(8) 0.023(3) Uani 1 1 d . U . . .
O16 O 0.3643(15) 0.2631(8) 0.1724(8) 0.025(3) Uani 1 1 d . U . . .
O17 O 0.4493(15) 0.2495(8) 0.3696(8) 0.027(3) Uani 1 1 d . U . . .
O18 O 0.6170(14) 0.3140(8) 0.3659(8) 0.022(3) Uani 1 1 d . U . . .
O19 O 0.7878(14) 0.2466(8) 0.4120(8) 0.021(3) Uani 1 1 d . U . . .
O20 O 0.7790(15) 0.3625(8) 0.4668(8) 0.027(4) Uani 1 1 d . U . . .
O21 O 0.5541(14) 0.4011(8) 0.2552(8) 0.021(3) Uani 1 1 d . U . . .
O22 O 0.7197(14) 0.4218(8) 0.3603(8) 0.022(3) Uani 1 1 d . U . . .
O23 O 0.6629(14) 0.5139(8) 0.2713(8) 0.024(3) Uani 1 1 d . U . . .
O24 O 0.8967(14) 0.3502(8) 0.4162(8) 0.020(3) Uani 1 1 d . U . . .
O25 O 0.4903(14) 0.3433(8) 0.1541(8) 0.022(3) Uani 1 1 d . U . . .
O26 O 0.4831(14) 0.1861(8) 0.1476(8) 0.023(3) Uani 1 1 d . U . . .
O27 O 0.8870(14) 0.1415(8) 0.4063(8) 0.023(3) Uani 1 1 d . U . . .
O28 O 0.8150(14) 0.0763(8) 0.2900(8) 0.024(3) Uani 1 1 d . U . . .
O29 O 1.0888(15) 0.1213(8) 0.4896(8) 0.026(3) Uani 1 1 d . U . . .
O30 O 0.5338(15) 0.1318(9) 0.0723(8) 0.028(3) Uani 1 1 d . U . . .
O31 O 0.6546(15) 0.1185(9) 0.1934(8) 0.029(3) Uani 1 1 d . U . . .
O32 O 1.0154(14) 0.0778(8) 0.3763(8) 0.021(3) Uani 1 1 d . U . . .
O33 O 1.0136(15) 0.2456(8) 0.4366(8) 0.024(3) Uani 1 1 d . U . . .
O34 O 0.5591(15) 0.2684(8) 0.0969(8) 0.024(3) Uani 1 1 d . U . . .
O35 O 0.7364(14) 0.3392(8) 0.1487(8) 0.021(3) Uani 1 1 d . U . . .
O36 O 1.0361(15) 0.4188(8) 0.3963(8) 0.025(3) Uani 1 1 d . U . . .
O37 O 0.5492(15) 0.4038(8) 0.0849(8) 0.025(3) Uani 1 1 d . U . . .
O38 O 0.6669(14) 0.4037(8) 0.2079(7) 0.019(3) Uani 1 1 d . U . . .
O39 O 0.8357(14) 0.4339(8) 0.3102(7) 0.019(3) Uani 1 1 d . U . . .
O40 O 1.1010(16) 0.3595(9) 0.5042(8) 0.030(3) Uani 1 1 d . U . . .
O41 O 0.9847(15) 0.5117(8) 0.3100(8) 0.027(3) Uani 1 1 d . U . . .
O42 O 0.8673(16) 0.4007(9) 0.1205(8) 0.032(4) Uani 1 1 d . U . . .
O43 O 1.0879(14) 0.3964(8) 0.3157(8) 0.022(3) Uani 1 1 d . U . . .
O44 O 0.8934(14) 0.4015(8) 0.2341(8) 0.022(3) Uani 1 1 d . U . . .
O45 O 1.1557(14) 0.3103(8) 0.4277(8) 0.022(3) Uani 1 1 d . U . . .
O46 O 1.3469(15) 0.2399(8) 0.4693(9) 0.032(4) Uani 1 1 d . U . . .
O47 O 0.8715(15) 0.2649(8) 0.1334(7) 0.021(3) Uani 1 1 d . U . . .
O48 O 1.0274(15) 0.3386(8) 0.2156(8) 0.026(3) Uani 1 1 d . U . . .
O49 O 1.2560(15) 0.3167(8) 0.3684(8) 0.026(3) Uani 1 1 d . U . . .
O50 O 1.2340(15) 0.3945(9) 0.2768(9) 0.030(4) Uani 1 1 d . U . . .
O51 O 1.1909(15) 0.2565(8) 0.2663(8) 0.023(3) Uani 1 1 d . U . . .
O52 O 1.2470(14) 0.1836(8) 0.3597(8) 0.026(3) Uani 1 1 d . U . . .
O53 O 1.2179(15) 0.1204(8) 0.2604(8) 0.026(3) Uani 1 1 d . U . . .
O54 O 0.8562(16) 0.1307(9) 0.1072(9) 0.034(3) Uani 1 1 d . U . . .
O55 O 1.0737(14) 0.1089(8) 0.2987(8) 0.022(3) Uani 1 1 d . U . . .
O56 O 0.8805(15) 0.1170(8) 0.2190(8) 0.027(3) Uani 1 1 d . U . . .
O57 O 0.9592(15) -0.0038(9) 0.2815(8) 0.030(3) Uani 1 1 d . U . . .
O58 O 1.0190(14) 0.1824(8) 0.2082(8) 0.022(3) Uani 1 1 d . U . . .
O59 O 1.1472(14) 0.1810(8) 0.4193(8) 0.023(3) Uani 1 1 d . U . . .
O60 O 0.6362(15) -0.0004(8) 0.2425(9) 0.030(4) Uani 1 1 d . U . . .
O61 O 0.7292(15) 0.1894(8) 0.1410(8) 0.026(3) Uani 1 1 d . U . . .
O62 O 0.3366(14) 0.4009(8) 0.1706(8) 0.022(3) Uani 1 1 d . U . . .
S1 S 0.9458(6) -0.0529(3) 0.4042(3) 0.0257(16) Uani 1 1 d . . . . .
S2 S 0.7082(6) -0.0315(4) 0.4710(4) 0.0335(19) Uani 1 1 d . . . . .
C1 C 0.857(3) -0.2416(14) 0.3563(15) 0.043(5) Uani 1 1 d . U . . .
H1 H 0.8014 -0.2638 0.3260 0.051 Uiso 1 1 calc R U . . .
C2 C 0.860(2) -0.1715(14) 0.3574(14) 0.035(5) Uani 1 1 d . U . . .
H2 H 0.8078 -0.1465 0.3272 0.042 Uiso 1 1 calc R U . . .
C3 C 0.940(2) -0.1421(14) 0.4042(13) 0.030(4) Uani 1 1 d . U . . .
C4 C 1.022(2) -0.1794(14) 0.4481(13) 0.034(5) Uani 1 1 d . U . . .
H4 H 1.0804 -0.1583 0.4779 0.040 Uiso 1 1 calc R U . . .
C5 C 1.015(3) -0.2484(14) 0.4465(14) 0.037(5) Uani 1 1 d . U . . .
H5 H 1.0628 -0.2746 0.4773 0.045 Uiso 1 1 calc R U . . .
C6 C 0.446(2) 0.0711(13) 0.3560(14) 0.032(3) Uani 1 1 d . U . . .
H6 H 0.4050 0.0770 0.3160 0.038 Uiso 1 1 calc R U . . .
C7 C 0.534(2) 0.0287(13) 0.3827(13) 0.030(4) Uani 1 1 d . U . . .
H7 H 0.5498 0.0043 0.3586 0.036 Uiso 1 1 calc R U . . .
C8 C 0.597(2) 0.0208(14) 0.4415(14) 0.033(4) Uani 1 1 d . U . . .
C9 C 0.577(2) 0.0567(13) 0.4772(13) 0.031(4) Uani 1 1 d . U . . .
H9 H 0.6201 0.0540 0.5173 0.037 Uiso 1 1 calc R U . . .
C10 C 0.487(2) 0.0996(14) 0.4511(13) 0.032(3) Uani 1 1 d . U . . .
H10 H 0.4696 0.1249 0.4743 0.038 Uiso 1 1 calc R U . . .
N1 N 0.934(2) -0.2758(12) 0.3979(11) 0.033(4) Uani 1 1 d . U . . .
H1A H 0.9336 -0.3184 0.3942 0.040 Uiso 1 1 calc R U . . .
N2 N 0.4296(19) 0.1020(11) 0.3951(11) 0.033(4) Uani 1 1 d . U . . .
H2A H 0.3746 0.1263 0.3812 0.039 Uiso 1 1 calc R U . . .
O1W O 0.736(2) -0.2419(10) 0.4465(10) 0.056(5) Uani 1 1 d . U . . .
O2W O 0.5064(17) -0.0988(9) 0.0686(9) 0.039(2) Uani 1 1 d . U . . .
O3W O 0.7077(17) -0.0344(9) -0.0126(10) 0.039(2) Uani 1 1 d . U . . .
O4W O 0.7378(18) 0.0085(10) 0.1354(10) 0.052(3) Uani 1 1 d . U . . .
O5W O 0.333(4) -0.2777(17) -0.0123(16) 0.191(9) Uani 1 1 d . U . . .
O6W O 1.091(2) 0.4163(12) 0.6196(11) 0.065(5) Uani 1 1 d . U . . .
O7W O 0.0000 0.5000 0.5000 0.039(2) Uani 1 2 d S . P . .


_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
W1 O60 1.714(17) . ?
W1 O28 1.863(18) . ?
W1 O11 1.894(18) . ?
W1 O31 1.899(18) . ?
W1 O10 1.934(17) . ?
W1 O3 2.380(16) . ?
W2 O13 1.700(18) . ?
W2 O14 1.909(15) . ?
W2 O26 1.916(16) . ?
W2 O11 1.925(18) . ?
W2 O16 1.938(16) . ?
W2 O4 2.373(17) . ?
W3 O17 1.725(17) . ?
W3 O14 1.877(17) . ?
W3 O15 1.892(17) . ?
W3 O1 1.927(17) . ?
W3 O18 1.937(18) . ?
W3 O4 2.410(15) . ?
W4 O62 1.713(17) . ?
W4 O25 1.910(16) . ?
W4 O21 1.922(18) . ?
W4 O16 1.932(17) . ?
W4 O15 1.953(16) . ?
W4 O4 2.361(16) . ?
W5 O12 1.720(18) . ?
W5 O1 1.890(18) . ?
W5 O19 1.889(16) . ?
W5 O10 1.908(17) . ?
W5 O27 1.923(18) . ?
W5 O3 2.335(15) . ?
W6 O30 1.701(18) . ?
W6 O26 1.903(17) . ?
W6 O31 1.902(18) . ?
W6 O61 1.914(18) . ?
W6 O34 1.918(16) . ?
W6 O2 2.357(16) . ?
W7 O23 1.686(16) . ?
W7 O21 1.890(18) . ?
W7 O39 1.897(17) . ?
W7 O38 1.899(16) . ?
W7 O22 1.930(17) . ?
W7 O5 2.397(15) . ?
W8 O37 1.711(17) . ?
W8 O35 1.851(17) . ?
W8 O38 1.893(17) . ?
W8 O34 1.906(17) . ?
W8 O25 1.938(17) . ?
W8 O2 2.356(15) . ?
W9 O20 1.701(18) . ?
W9 O18 1.880(18) . ?
W9 O22 1.893(16) . ?
W9 O19 1.905(15) . ?
W9 O24 1.912(17) . ?
W9 O5 2.358(16) . ?
W10 O40 1.726(19) . ?
W10 O33 1.874(15) . ?
W10 O24 1.885(17) . ?
W10 O36 1.906(16) . ?
W10 O45 1.957(17) . ?
W10 O9 2.349(17) . ?
W11 O41 1.691(17) . ?
W11 O44 1.884(17) . ?
W11 O39 1.898(17) . ?
W11 O43 1.914(17) . ?
W11 O36 1.943(18) . ?
W11 O9 2.381(15) . ?
W12 O42 1.704(17) . ?
W12 O48 1.885(19) . ?
W12 O44 1.902(16) . ?
W12 O47 1.912(16) . ?
W12 O35 1.921(18) . ?
W12 O7 2.350(15) . ?
W13 O50 1.742(17) . ?
W13 O43 1.909(16) . ?
W13 O51 1.918(16) . ?
W13 O48 1.92(2) . ?
W13 O49 1.932(19) . ?
W13 O6 2.374(15) . ?
W14 O53 1.706(17) . ?
W14 O58 1.881(19) . ?
W14 O55 1.901(16) . ?
W14 O51 1.933(15) . ?
W14 O52 1.937(19) . ?
W14 O6 2.383(15) . ?
W15 O54 1.697(18) . ?
W15 O61 1.878(18) . ?
W15 O56 1.886(17) . ?
W15 O47 1.907(16) . ?
W15 O58 1.926(19) . ?
W15 O7 2.405(15) . ?
W16 O57 1.699(17) . ?
W16 O56 1.891(19) . ?
W16 O32 1.901(18) . ?
W16 O28 1.926(17) . ?
W16 O55 1.925(17) . ?
W16 O8 2.414(15) . ?
W17 O46 1.70(2) . ?
W17 O59 1.885(17) . ?
W17 O45 1.909(16) . ?
W17 O52 1.929(18) . ?
W17 O49 1.955(17) . ?
W17 O6 2.383(18) . ?
W18 O29 1.709(19) . ?
W18 O27 1.879(18) . ?
W18 O33 1.903(15) . ?
W18 O32 1.912(16) . ?
W18 O59 1.953(17) . ?
W18 O8 2.321(17) . ?
P1 O5 1.521(17) . ?
P1 O3 1.531(16) . ?
P1 O2 1.561(16) . ?
P1 O4 1.565(18) . ?
P2 O9 1.519(15) . ?
P2 O8 1.536(16) . ?
P2 O7 1.550(18) . ?
P2 O6 1.579(18) . ?
Ag1 S1 2.494(7) . ?
Ag1 S1 2.494(7) 3_756 ?
Ag1 Ag2 2.936(3) . ?
Ag1 Ag2 2.936(3) 3_756 ?
Ag1 Ag3 2.987(3) . ?
Ag1 Ag3 2.987(3) 3_756 ?
Ag2 O62 2.432(18) 2_645 ?
Ag2 S2 2.487(8) . ?
Ag2 S1 2.499(7) . ?
Ag2 O10 2.606(17) . ?
Ag2 Ag3 3.490(4) 3_756 ?
Ag2 Ag4 3.665(5) . ?
Ag3 O42 2.408(17) 2_745 ?
Ag3 S2 2.443(8) 3_756 ?
Ag3 S1 2.550(8) . ?
Ag3 Ag2 3.490(4) 3_756 ?
Ag4 O1W 2.24(2) . ?
Ag4 S2 2.412(8) . ?
Ag4 O25 2.701(19) 2_645 ?
Ag4 O46 2.750(19) 3_756 ?
Ag5 O60 2.297(19) . ?
Ag5 O50 2.41(2) 2_745 ?
Ag5 O2W 2.42(2) . ?
Ag5 O15 2.457(16) 2_645 ?
Ag5 Ag10 3.36(2) 3_655 ?
Ag6 O3W 2.451(19) . ?
Ag6 O2W 2.48(2) . ?
Ag6 O4W 2.63(2) . ?
Ag6 O49 2.724(19) 2_745 ?
Ag6 Ag10 3.12(2) . ?
Ag6 Ag10 3.68(2) 3_655 ?
Ag7 O54 2.471(19) . ?
Ag7 O3W 2.54(2) . ?
Ag7 O20 2.758(19) 4_565 ?
Ag7 Ag10 3.48(2) . ?
Ag7 Ag8 3.512(8) 2_745 ?
Ag8 O13 2.393(19) 4_666 ?
Ag8 O3W 2.587(18) 2_755 ?
Ag8 O40 2.661(19) . ?
Ag8 O6W 2.68(3) . ?
Ag8 Ag7 3.512(8) 2_755 ?
Ag9 O5W 2.06(4) . ?
Ag9 O2W 2.30(2) . ?
Ag9 O17 2.73(2) 2_645 ?
Ag9 Ag10 3.36(2) 3_655 ?
Ag10 O2W 1.86(3) 3_655 ?
Ag10 O3W 1.99(3) . ?
Ag10 Ag9 3.36(2) 3_655 ?
Ag10 Ag5 3.36(2) 3_655 ?
Ag10 Ag6 3.68(2) 3_655 ?
O13 Ag8 2.393(19) 4_465 ?
O15 Ag5 2.457(16) 2_655 ?
O17 Ag9 2.73(2) 2_655 ?
O20 Ag7 2.758(19) 4_566 ?
O25 Ag4 2.701(19) 2_655 ?
O42 Ag3 2.408(17) 2_755 ?
O46 Ag4 2.750(19) 3_756 ?
O49 Ag6 2.724(19) 2_755 ?
O50 Ag5 2.41(2) 2_755 ?
O62 Ag2 2.432(18) 2_655 ?
S1 C3 1.79(3) . ?
S2 C8 1.77(3) . ?
S2 Ag3 2.444(8) 3_756 ?
C1 N1 1.31(4) . ?
C1 C2 1.41(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.35(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.41(4) . ?
C4 C5 1.39(4) . ?
C4 H4 0.9300 . ?
C5 N1 1.36(4) . ?
C5 H5 0.9300 . ?
C6 N2 1.34(3) . ?
C6 C7 1.41(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.37(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.34(4) . ?
C9 C10 1.45(4) . ?
C9 H9 0.9300 . ?
C10 N2 1.29(4) . ?
C10 H10 0.9300 . ?
N1 H1A 0.8600 . ?
N2 H2A 0.8600 . ?
O2W Ag10 1.86(3) 3_655 ?
O3W Ag8 2.587(18) 2_745 ?

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
O60 W1 O28 101.4(8) . . ?
O60 W1 O11 97.8(8) . . ?
O28 W1 O11 160.8(7) . . ?
O60 W1 O31 101.7(8) . . ?
O28 W1 O31 87.9(8) . . ?
O11 W1 O31 87.2(8) . . ?
O60 W1 O10 101.5(8) . . ?
O28 W1 O10 88.7(7) . . ?
O11 W1 O10 88.4(7) . . ?
O31 W1 O10 156.8(7) . . ?
O60 W1 O3 173.6(7) . . ?
O28 W1 O3 81.6(6) . . ?
O11 W1 O3 79.4(7) . . ?
O31 W1 O3 84.0(7) . . ?
O10 W1 O3 72.7(6) . . ?
O13 W2 O14 103.8(8) . . ?
O13 W2 O26 100.9(8) . . ?
O14 W2 O26 155.2(7) . . ?
O13 W2 O11 107.3(8) . . ?
O14 W2 O11 88.5(7) . . ?
O26 W2 O11 86.5(7) . . ?
O13 W2 O16 97.8(8) . . ?
O14 W2 O16 86.3(7) . . ?
O26 W2 O16 88.0(7) . . ?
O11 W2 O16 154.8(8) . . ?
O13 W2 O4 169.2(7) . . ?
O14 W2 O4 72.7(6) . . ?
O26 W2 O4 82.6(7) . . ?
O11 W2 O4 83.0(7) . . ?
O16 W2 O4 71.9(7) . . ?
O17 W3 O14 102.9(8) . . ?
O17 W3 O15 102.4(8) . . ?
O14 W3 O15 89.2(7) . . ?
O17 W3 O1 102.2(7) . . ?
O14 W3 O1 87.8(7) . . ?
O15 W3 O1 155.2(7) . . ?
O17 W3 O18 102.8(8) . . ?
O14 W3 O18 154.2(7) . . ?
O15 W3 O18 88.1(8) . . ?
O1 W3 O18 84.1(7) . . ?
O17 W3 O4 173.3(8) . . ?
O14 W3 O4 72.3(6) . . ?
O15 W3 O4 73.1(6) . . ?
O1 W3 O4 82.5(6) . . ?
O18 W3 O4 82.3(6) . . ?
O62 W4 O25 100.9(7) . . ?
O62 W4 O21 103.7(8) . . ?
O25 W4 O21 86.8(7) . . ?
O62 W4 O16 100.0(8) . . ?
O25 W4 O16 89.5(7) . . ?
O21 W4 O16 156.3(7) . . ?
O62 W4 O15 101.3(7) . . ?
O25 W4 O15 157.7(7) . . ?
O21 W4 O15 88.4(7) . . ?
O16 W4 O15 86.2(7) . . ?
O62 W4 O4 170.7(7) . . ?
O25 W4 O4 84.5(6) . . ?
O21 W4 O4 84.1(6) . . ?
O16 W4 O4 72.3(7) . . ?
O15 W4 O4 73.3(6) . . ?
O12 W5 O1 96.7(8) . . ?
O12 W5 O19 102.0(8) . . ?
O1 W5 O19 87.5(7) . . ?
O12 W5 O10 99.4(8) . . ?
O1 W5 O10 91.8(7) . . ?
O19 W5 O10 158.5(7) . . ?
O12 W5 O27 97.9(8) . . ?
O1 W5 O27 165.2(7) . . ?
O19 W5 O27 87.1(7) . . ?
O10 W5 O27 88.2(7) . . ?
O12 W5 O3 173.4(7) . . ?
O1 W5 O3 82.1(6) . . ?
O19 W5 O3 84.4(7) . . ?
O10 W5 O3 74.2(6) . . ?
O27 W5 O3 83.7(7) . . ?
O30 W6 O26 97.4(8) . . ?
O30 W6 O31 102.0(8) . . ?
O26 W6 O31 85.8(7) . . ?
O30 W6 O61 100.8(8) . . ?
O26 W6 O61 161.3(8) . . ?
O31 W6 O61 86.3(8) . . ?
O30 W6 O34 101.2(8) . . ?
O26 W6 O34 90.9(7) . . ?
O31 W6 O34 156.8(8) . . ?
O61 W6 O34 89.7(7) . . ?
O30 W6 O2 174.3(7) . . ?
O26 W6 O2 81.3(7) . . ?
O31 W6 O2 83.6(7) . . ?
O61 W6 O2 81.0(6) . . ?
O34 W6 O2 73.3(7) . . ?
O23 W7 O21 97.5(8) . . ?
O23 W7 O39 100.3(8) . . ?
O21 W7 O39 162.1(7) . . ?
O23 W7 O38 102.8(8) . . ?
O21 W7 O38 85.4(7) . . ?
O39 W7 O38 89.8(7) . . ?
O23 W7 O22 100.4(7) . . ?
O21 W7 O22 88.5(7) . . ?
O39 W7 O22 89.1(7) . . ?
O38 W7 O22 156.6(7) . . ?
O23 W7 O5 172.7(7) . . ?
O21 W7 O5 80.2(6) . . ?
O39 W7 O5 82.1(6) . . ?
O38 W7 O5 84.0(6) . . ?
O22 W7 O5 72.8(6) . . ?
O37 W8 O35 100.9(8) . . ?
O37 W8 O38 103.3(8) . . ?
O35 W8 O38 89.3(7) . . ?
O37 W8 O34 98.0(8) . . ?
O35 W8 O34 91.3(7) . . ?
O38 W8 O34 158.2(7) . . ?
O37 W8 O25 95.5(8) . . ?
O35 W8 O25 163.5(7) . . ?
O38 W8 O25 84.5(7) . . ?
O34 W8 O25 89.0(7) . . ?
O37 W8 O2 171.0(7) . . ?
O35 W8 O2 82.5(6) . . ?
O38 W8 O2 85.0(6) . . ?
O34 W8 O2 73.5(7) . . ?
O25 W8 O2 81.7(6) . . ?
O20 W9 O18 99.1(8) . . ?
O20 W9 O22 101.2(8) . . ?
O18 W9 O22 91.3(7) . . ?
O20 W9 O19 101.1(8) . . ?
O18 W9 O19 86.0(7) . . ?
O22 W9 O19 157.7(7) . . ?
O20 W9 O24 97.4(8) . . ?
O18 W9 O24 162.9(7) . . ?
O22 W9 O24 90.2(7) . . ?
O19 W9 O24 86.2(7) . . ?
O20 W9 O5 175.5(7) . . ?
O18 W9 O5 81.8(7) . . ?
O22 W9 O5 74.3(6) . . ?
O19 W9 O5 83.4(6) . . ?
O24 W9 O5 82.2(7) . . ?
O40 W10 O33 101.6(8) . . ?
O40 W10 O24 99.2(8) . . ?
O33 W10 O24 87.8(7) . . ?
O40 W10 O36 100.7(8) . . ?
O33 W10 O36 157.1(8) . . ?
O24 W10 O36 93.6(7) . . ?
O40 W10 O45 96.0(8) . . ?
O33 W10 O45 85.5(7) . . ?
O24 W10 O45 164.3(7) . . ?
O36 W10 O45 87.3(7) . . ?
O40 W10 O9 174.3(7) . . ?
O33 W10 O9 83.3(7) . . ?
O24 W10 O9 83.8(6) . . ?
O36 W10 O9 74.2(7) . . ?
O45 W10 O9 81.4(7) . . ?
O41 W11 O44 105.0(8) . . ?
O41 W11 O39 98.5(8) . . ?
O44 W11 O39 89.4(7) . . ?
O41 W11 O43 98.9(8) . . ?
O44 W11 O43 86.4(7) . . ?
O39 W11 O43 162.7(7) . . ?
O41 W11 O36 98.3(8) . . ?
O44 W11 O36 156.5(7) . . ?
O39 W11 O36 89.7(7) . . ?
O43 W11 O36 87.6(7) . . ?
O41 W11 O9 171.1(7) . . ?
O44 W11 O9 83.9(6) . . ?
O39 W11 O9 81.7(6) . . ?
O43 W11 O9 81.1(6) . . ?
O36 W11 O9 72.8(6) . . ?
O42 W12 O48 99.7(8) . . ?
O42 W12 O44 104.5(8) . . ?
O48 W12 O44 87.3(8) . . ?
O42 W12 O47 98.6(8) . . ?
O48 W12 O47 90.2(8) . . ?
O44 W12 O47 156.8(7) . . ?
O42 W12 O35 97.1(8) . . ?
O48 W12 O35 163.0(7) . . ?
O44 W12 O35 86.2(7) . . ?
O47 W12 O35 89.6(7) . . ?
O42 W12 O7 171.6(8) . . ?
O48 W12 O7 82.9(7) . . ?
O44 W12 O7 83.5(6) . . ?
O47 W12 O7 73.4(6) . . ?
O35 W12 O7 80.7(6) . . ?
O50 W13 O43 102.6(8) . . ?
O50 W13 O51 101.0(8) . . ?
O43 W13 O51 156.5(7) . . ?
O50 W13 O48 103.7(8) . . ?
O43 W13 O48 86.1(8) . . ?
O51 W13 O48 88.2(8) . . ?
O50 W13 O49 98.1(8) . . ?
O43 W13 O49 88.9(8) . . ?
O51 W13 O49 88.0(8) . . ?
O48 W13 O49 158.2(7) . . ?
O50 W13 O6 170.4(8) . . ?
O43 W13 O6 83.7(6) . . ?
O51 W13 O6 73.0(6) . . ?
O48 W13 O6 83.9(7) . . ?
O49 W13 O6 74.5(7) . . ?
O53 W14 O58 104.9(8) . . ?
O53 W14 O55 102.9(8) . . ?
O58 W14 O55 86.3(8) . . ?
O53 W14 O51 99.4(8) . . ?
O58 W14 O51 89.1(8) . . ?
O55 W14 O51 157.6(7) . . ?
O53 W14 O52 98.7(8) . . ?
O58 W14 O52 156.3(7) . . ?
O55 W14 O52 89.6(8) . . ?
O51 W14 O52 85.9(7) . . ?
O53 W14 O6 168.5(8) . . ?
O58 W14 O6 83.6(7) . . ?
O55 W14 O6 85.2(6) . . ?
O51 W14 O6 72.6(6) . . ?
O52 W14 O6 72.8(7) . . ?
O54 W15 O61 100.3(9) . . ?
O54 W15 O56 104.3(8) . . ?
O61 W15 O56 87.5(8) . . ?
O54 W15 O47 99.9(8) . . ?
O61 W15 O47 91.0(8) . . ?
O56 W15 O47 155.6(7) . . ?
O54 W15 O58 98.8(8) . . ?
O61 W15 O58 160.8(7) . . ?
O56 W15 O58 85.5(8) . . ?
O47 W15 O58 88.1(8) . . ?
O54 W15 O7 172.0(7) . . ?
O61 W15 O7 81.1(7) . . ?
O56 W15 O7 83.6(6) . . ?
O47 W15 O7 72.1(6) . . ?
O58 W15 O7 80.4(6) . . ?
O57 W16 O56 104.3(8) . . ?
O57 W16 O32 100.1(8) . . ?
O56 W16 O32 155.4(7) . . ?
O57 W16 O28 100.3(8) . . ?
O56 W16 O28 88.5(8) . . ?
O32 W16 O28 89.5(7) . . ?
O57 W16 O55 97.5(8) . . ?
O56 W16 O55 84.9(8) . . ?
O32 W16 O55 89.6(7) . . ?
O28 W16 O55 162.1(7) . . ?
O57 W16 O8 172.1(8) . . ?
O56 W16 O8 83.5(7) . . ?
O32 W16 O8 72.0(6) . . ?
O28 W16 O8 79.7(6) . . ?
O55 W16 O8 83.0(6) . . ?
O46 W17 O59 104.2(8) . . ?
O46 W17 O45 104.4(9) . . ?
O59 W17 O45 86.6(7) . . ?
O46 W17 O52 98.8(9) . . ?
O59 W17 O52 89.1(7) . . ?
O45 W17 O52 156.7(8) . . ?
O46 W17 O49 99.0(8) . . ?
O59 W17 O49 156.8(8) . . ?
O45 W17 O49 87.7(7) . . ?
O52 W17 O49 87.2(7) . . ?
O46 W17 O6 169.1(8) . . ?
O59 W17 O6 83.1(7) . . ?
O45 W17 O6 83.8(7) . . ?
O52 W17 O6 72.9(7) . . ?
O49 W17 O6 73.9(7) . . ?
O29 W18 O27 98.2(8) . . ?
O29 W18 O33 101.9(8) . . ?
O27 W18 O33 89.1(7) . . ?
O29 W18 O32 100.3(8) . . ?
O27 W18 O32 92.6(7) . . ?
O33 W18 O32 157.3(7) . . ?
O29 W18 O59 95.6(8) . . ?
O27 W18 O59 165.8(7) . . ?
O33 W18 O59 85.1(7) . . ?
O32 W18 O59 87.8(7) . . ?
O29 W18 O8 173.7(7) . . ?
O27 W18 O8 84.8(7) . . ?
O33 W18 O8 83.6(7) . . ?
O32 W18 O8 74.0(6) . . ?
O59 W18 O8 81.7(7) . . ?
O5 P1 O3 111.1(10) . . ?
O5 P1 O2 112.0(9) . . ?
O3 P1 O2 111.3(9) . . ?
O5 P1 O4 108.2(9) . . ?
O3 P1 O4 106.9(9) . . ?
O2 P1 O4 107.1(10) . . ?
O9 P2 O8 111.0(10) . . ?
O9 P2 O7 111.0(9) . . ?
O8 P2 O7 111.6(10) . . ?
O9 P2 O6 107.9(9) . . ?
O8 P2 O6 108.9(9) . . ?
O7 P2 O6 106.2(9) . . ?
S1 Ag1 S1 180.0(2) . 3_756 ?
S1 Ag1 Ag2 54.08(18) . . ?
S1 Ag1 Ag2 125.92(18) 3_756 . ?
S1 Ag1 Ag2 125.92(18) . 3_756 ?
S1 Ag1 Ag2 54.08(18) 3_756 3_756 ?
Ag2 Ag1 Ag2 180.0 . 3_756 ?
S1 Ag1 Ag3 54.56(17) . . ?
S1 Ag1 Ag3 125.44(17) 3_756 . ?
Ag2 Ag1 Ag3 107.80(7) . . ?
Ag2 Ag1 Ag3 72.20(7) 3_756 . ?
S1 Ag1 Ag3 125.44(17) . 3_756 ?
S1 Ag1 Ag3 54.56(17) 3_756 3_756 ?
Ag2 Ag1 Ag3 72.20(7) . 3_756 ?
Ag2 Ag1 Ag3 107.80(7) 3_756 3_756 ?
Ag3 Ag1 Ag3 180.0 . 3_756 ?
O62 Ag2 S2 99.1(4) 2_645 . ?
O62 Ag2 S1 99.0(4) 2_645 . ?
S2 Ag2 S1 143.1(3) . . ?
O62 Ag2 O10 91.7(6) 2_645 . ?
S2 Ag2 O10 105.6(4) . . ?
S1 Ag2 O10 105.8(4) . . ?
O62 Ag2 Ag1 148.3(4) 2_645 . ?
S2 Ag2 Ag1 96.8(2) . . ?
S1 Ag2 Ag1 53.91(18) . . ?
O10 Ag2 Ag1 110.1(4) . . ?
O62 Ag2 Ag3 142.4(4) 2_645 3_756 ?
S2 Ag2 Ag3 44.44(18) . 3_756 ?
S1 Ag2 Ag3 107.9(2) . 3_756 ?
O10 Ag2 Ag3 105.3(4) . 3_756 ?
Ag1 Ag2 Ag3 54.58(6) . 3_756 ?
O62 Ag2 Ag4 67.9(4) 2_645 . ?
S2 Ag2 Ag4 40.79(18) . . ?
S1 Ag2 Ag4 121.85(18) . . ?
O10 Ag2 Ag4 129.9(4) . . ?
Ag1 Ag2 Ag4 109.93(10) . . ?
Ag3 Ag2 Ag4 75.65(9) 3_756 . ?
O42 Ag3 S2 127.0(5) 2_745 3_756 ?
O42 Ag3 S1 83.8(5) 2_745 . ?
S2 Ag3 S1 149.0(3) 3_756 . ?
O42 Ag3 Ag1 134.2(5) 2_745 . ?
S2 Ag3 Ag1 96.5(2) 3_756 . ?
S1 Ag3 Ag1 52.83(17) . . ?
O42 Ag3 Ag2 154.7(5) 2_745 3_756 ?
S2 Ag3 Ag2 45.5(2) 3_756 3_756 ?
S1 Ag3 Ag2 105.47(18) . 3_756 ?
Ag1 Ag3 Ag2 53.22(6) . 3_756 ?
O1W Ag4 S2 136.6(7) . . ?
O1W Ag4 O25 89.9(7) . 2_645 ?
S2 Ag4 O25 103.7(4) . 2_645 ?
O1W Ag4 O46 75.0(8) . 3_756 ?
S2 Ag4 O46 130.9(5) . 3_756 ?
O25 Ag4 O46 114.4(6) 2_645 3_756 ?
O1W Ag4 Ag2 99.2(7) . . ?
S2 Ag4 Ag2 42.4(2) . . ?
O25 Ag4 Ag2 86.6(4) 2_645 . ?
O46 Ag4 Ag2 157.8(4) 3_756 . ?
O60 Ag5 O50 81.8(7) . 2_745 ?
O60 Ag5 O2W 143.6(7) . . ?
O50 Ag5 O2W 110.9(7) 2_745 . ?
O60 Ag5 O15 99.8(6) . 2_645 ?
O50 Ag5 O15 83.8(6) 2_745 2_645 ?
O2W Ag5 O15 115.1(6) . 2_645 ?
O60 Ag5 Ag10 115.8(6) . 3_655 ?
O50 Ag5 Ag10 135.9(6) 2_745 3_655 ?
O2W Ag5 Ag10 32.7(6) . 3_655 ?
O15 Ag5 Ag10 127.5(6) 2_645 3_655 ?
O3W Ag6 O2W 143.9(8) . . ?
O3W Ag6 O4W 98.3(7) . . ?
O2W Ag6 O4W 91.9(7) . . ?
O3W Ag6 O49 129.5(7) . 2_745 ?
O2W Ag6 O49 84.2(6) . 2_745 ?
O4W Ag6 O49 92.1(7) . 2_745 ?
O3W Ag6 Ag10 39.6(6) . . ?
O2W Ag6 Ag10 107.1(7) . . ?
O4W Ag6 Ag10 87.6(7) . . ?
O49 Ag6 Ag10 168.7(6) 2_745 . ?
O3W Ag6 Ag10 119.0(6) . 3_655 ?
O2W Ag6 Ag10 27.2(6) . 3_655 ?
O4W Ag6 Ag10 86.0(6) . 3_655 ?
O49 Ag6 Ag10 110.9(5) 2_745 3_655 ?
Ag10 Ag6 Ag10 80.4(7) . 3_655 ?
O54 Ag7 O3W 120.5(7) . . ?
O54 Ag7 O20 78.6(6) . 4_565 ?
O3W Ag7 O20 89.5(6) . 4_565 ?
O54 Ag7 Ag10 91.0(7) . . ?
O3W Ag7 Ag10 34.3(6) . . ?
O20 Ag7 Ag10 65.0(5) 4_565 . ?
O54 Ag7 Ag8 152.8(5) . 2_745 ?
O3W Ag7 Ag8 47.3(4) . 2_745 ?
O20 Ag7 Ag8 77.3(4) 4_565 2_745 ?
Ag10 Ag7 Ag8 67.5(5) . 2_745 ?
O13 Ag8 O3W 110.3(7) 4_666 2_755 ?
O13 Ag8 O40 93.4(6) 4_666 . ?
O3W Ag8 O40 83.0(6) 2_755 . ?
O13 Ag8 O6W 77.3(7) 4_666 . ?
O3W Ag8 O6W 159.9(8) 2_755 . ?
O40 Ag8 O6W 77.9(6) . . ?
O13 Ag8 Ag7 155.7(5) 4_666 2_755 ?
O3W Ag8 Ag7 46.2(5) 2_755 2_755 ?
O40 Ag8 Ag7 79.0(4) . 2_755 ?
O6W Ag8 Ag7 122.6(6) . 2_755 ?
O5W Ag9 O2W 162.7(18) . . ?
O5W Ag9 O17 95.5(11) . 2_645 ?
O2W Ag9 O17 83.5(7) . 2_645 ?
O5W Ag9 Ag10 135.9(17) . 3_655 ?
O2W Ag9 Ag10 31.8(6) . 3_655 ?
O17 Ag9 Ag10 108.1(6) 2_645 3_655 ?
O2W Ag10 O3W 171.5(17) 3_655 . ?
O2W Ag10 Ag6 136.5(13) 3_655 . ?
O3W Ag10 Ag6 51.6(7) . . ?
O2W Ag10 Ag9 40.7(9) 3_655 3_655 ?
O3W Ag10 Ag9 139.5(11) . 3_655 ?
Ag6 Ag10 Ag9 129.8(8) . 3_655 ?
O2W Ag10 Ag5 44.7(8) 3_655 3_655 ?
O3W Ag10 Ag5 128.3(12) . 3_655 ?
Ag6 Ag10 Ag5 143.2(7) . 3_655 ?
Ag9 Ag10 Ag5 76.7(5) 3_655 3_655 ?
O2W Ag10 Ag7 133.3(11) 3_655 . ?
O3W Ag10 Ag7 45.9(8) . . ?
Ag6 Ag10 Ag7 74.3(5) . . ?
Ag9 Ag10 Ag7 93.6(6) 3_655 . ?
Ag5 Ag10 Ag7 136.0(8) 3_655 . ?
O2W Ag10 Ag6 37.7(8) 3_655 3_655 ?
O3W Ag10 Ag6 149.2(11) . 3_655 ?
Ag6 Ag10 Ag6 99.6(7) . 3_655 ?
Ag9 Ag10 Ag6 65.0(5) 3_655 3_655 ?
Ag5 Ag10 Ag6 66.0(4) 3_655 3_655 ?
Ag7 Ag10 Ag6 147.1(8) . 3_655 ?
W5 O1 W3 151.6(9) . . ?
P1 O2 W6 127.8(8) . . ?
P1 O2 W8 127.4(9) . . ?
W6 O2 W8 90.7(6) . . ?
P1 O3 W5 128.0(9) . . ?
P1 O3 W1 128.1(10) . . ?
W5 O3 W1 90.9(5) . . ?
P1 O4 W4 124.3(8) . . ?
P1 O4 W2 125.2(8) . . ?
W4 O4 W2 92.2(6) . . ?
P1 O4 W3 124.9(10) . . ?
W4 O4 W3 90.3(5) . . ?
W2 O4 W3 89.4(5) . . ?
P1 O5 W9 128.2(9) . . ?
P1 O5 W7 127.6(10) . . ?
W9 O5 W7 89.9(5) . . ?
P2 O6 W13 125.3(9) . . ?
P2 O6 W17 123.7(8) . . ?
W13 O6 W17 90.6(6) . . ?
P2 O6 W14 124.8(9) . . ?
W13 O6 W14 91.0(5) . . ?
W17 O6 W14 91.1(6) . . ?
P2 O7 W12 128.2(9) . . ?
P2 O7 W15 127.3(9) . . ?
W12 O7 W15 90.4(5) . . ?
P2 O8 W18 127.9(10) . . ?
P2 O8 W16 126.4(9) . . ?
W18 O8 W16 90.3(5) . . ?
P2 O9 W10 128.3(10) . . ?
P2 O9 W11 127.8(9) . . ?
W10 O9 W11 90.7(5) . . ?
W5 O10 W1 122.1(8) . . ?
W5 O10 Ag2 110.2(8) . . ?
W1 O10 Ag2 121.0(8) . . ?
W1 O11 W2 150.9(10) . . ?
W2 O13 Ag8 154.8(10) . 4_465 ?
W3 O14 W2 125.5(8) . . ?
W3 O15 W4 123.2(8) . . ?
W3 O15 Ag5 110.2(8) . 2_655 ?
W4 O15 Ag5 114.9(7) . 2_655 ?
W4 O16 W2 123.6(10) . . ?
W3 O17 Ag9 115.9(10) . 2_655 ?
W9 O18 W3 153.7(9) . . ?
W5 O19 W9 150.2(11) . . ?
W9 O20 Ag7 142.6(9) . 4_566 ?
W7 O21 W4 151.2(9) . . ?
W9 O22 W7 123.0(8) . . ?
W10 O24 W9 165.3(9) . . ?
W4 O25 W8 150.1(11) . . ?
W4 O25 Ag4 110.9(8) . 2_655 ?
W8 O25 Ag4 98.4(6) . 2_655 ?
W6 O26 W2 152.3(11) . . ?
W18 O27 W5 162.8(10) . . ?
W1 O28 W16 162.9(11) . . ?
W1 O31 W6 152.0(10) . . ?
W16 O32 W18 123.4(9) . . ?
W10 O33 W18 153.9(10) . . ?
W8 O34 W6 122.5(10) . . ?
W8 O35 W12 164.6(10) . . ?
W10 O36 W11 121.9(9) . . ?
W8 O38 W7 153.8(9) . . ?
W11 O39 W7 160.7(10) . . ?
W10 O40 Ag8 146.1(9) . . ?
W12 O42 Ag3 175.5(11) . 2_755 ?
W13 O43 W11 151.5(10) . . ?
W11 O44 W12 151.3(10) . . ?
W17 O45 W10 150.0(9) . . ?
W17 O46 Ag4 107.9(8) . 3_756 ?
W15 O47 W12 124.0(8) . . ?
W12 O48 W13 150.3(10) . . ?
W13 O49 W17 121.0(9) . . ?
W13 O49 Ag6 118.3(7) . 2_755 ?
W17 O49 Ag6 106.2(8) . 2_755 ?
W13 O50 Ag5 133.9(10) . 2_755 ?
W13 O51 W14 123.5(9) . . ?
W17 O52 W14 123.2(9) . . ?
W15 O54 Ag7 163.5(11) . . ?
W14 O55 W16 150.7(10) . . ?
W16 O56 W15 153.9(11) . . ?
W14 O58 W15 151.7(10) . . ?
W17 O59 W18 151.4(10) . . ?
W1 O60 Ag5 148.5(10) . . ?
W15 O61 W6 165.4(10) . . ?
W4 O62 Ag2 157.3(9) . 2_655 ?
C3 S1 Ag1 114.6(10) . . ?
C3 S1 Ag2 99.6(10) . . ?
Ag1 S1 Ag2 72.02(19) . . ?
C3 S1 Ag3 105.3(10) . . ?
Ag1 S1 Ag3 72.6(2) . . ?
Ag2 S1 Ag3 142.8(3) . . ?
C8 S2 Ag4 113.2(10) . . ?
C8 S2 Ag3 111.4(10) . 3_756 ?
Ag4 S2 Ag3 129.4(3) . 3_756 ?
C8 S2 Ag2 109.0(11) . . ?
Ag4 S2 Ag2 96.9(3) . . ?
Ag3 S2 Ag2 90.1(3) 3_756 . ?
N1 C1 C2 120(3) . . ?
N1 C1 H1 119.9 . . ?
C2 C1 H1 119.9 . . ?
C3 C2 C1 117(3) . . ?
C3 C2 H2 121.4 . . ?
C1 C2 H2 121.4 . . ?
C2 C3 C4 122(3) . . ?
C2 C3 S1 117(2) . . ?
C4 C3 S1 121(2) . . ?
C5 C4 C3 119(3) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 117(3) . . ?
N1 C5 H5 121.6 . . ?
C4 C5 H5 121.6 . . ?
N2 C6 C7 112(3) . . ?
N2 C6 H6 124.0 . . ?
C7 C6 H6 124.0 . . ?
C8 C7 C6 125(3) . . ?
C8 C7 H7 117.7 . . ?
C6 C7 H7 117.7 . . ?
C9 C8 C7 119(3) . . ?
C9 C8 S2 120(2) . . ?
C7 C8 S2 121(2) . . ?
C8 C9 C10 118(3) . . ?
C8 C9 H9 121.1 . . ?
C10 C9 H9 121.1 . . ?
N2 C10 C9 119(3) . . ?
N2 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C1 N1 C5 124(3) . . ?
C1 N1 H1A 117.8 . . ?
C5 N1 H1A 117.8 . . ?
C10 N2 C6 128(3) . . ?
C10 N2 H2A 116.2 . . ?
C6 N2 H2A 116.2 . . ?
Ag10 O2W Ag9 107.5(13) 3_655 . ?
Ag10 O2W Ag5 102.7(11) 3_655 . ?
Ag9 O2W Ag5 124.1(8) . . ?
Ag10 O2W Ag6 115.1(11) 3_655 . ?
Ag9 O2W Ag6 104.8(8) . . ?
Ag5 O2W Ag6 103.1(9) . . ?
Ag10 O3W Ag6 88.8(9) . . ?
Ag10 O3W Ag7 99.8(10) . . ?
Ag6 O3W Ag7 106.7(8) . . ?
Ag10 O3W Ag8 115.7(11) . 2_745 ?
Ag6 O3W Ag8 150.3(8) . 2_745 ?
Ag7 O3W Ag8 86.5(6) . 2_745 ?

_refine_diff_density_max         4.035
_refine_diff_density_min         -5.325
_refine_diff_density_rms         0.550

_shelxl_version_number           2014-3

