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

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

data_160227b
_database_code_depnum_ccdc_archive 'CCDC 1959945'
loop_
_audit_author_name
_audit_author_address
'Mingyu Dou'
;Beijing Institute of Technology
China
;
_audit_update_record             
;
2019-10-17 deposited with the CCDC.	2020-03-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H58 Ag3 N10 O46 P S6 W12'
_chemical_formula_weight         4168.10

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'
Ag Ag -0.8971 1.1015 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   11.6301(11)
_cell_length_b                   13.3660(12)
_cell_length_c                   15.5869(13)
_cell_angle_alpha                98.1610(10)
_cell_angle_beta                 101.089(2)
_cell_angle_gamma                101.148(2)
_cell_volume                     2292.1(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2288
_cell_measurement_theta_min      2.265
_cell_measurement_theta_max      25.163

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.020
_exptl_crystal_F_000             1876
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    15.849
_shelx_estimated_absorpt_T_min   0.128
_shelx_estimated_absorpt_T_max   0.163
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1282
_exptl_absorpt_correction_T_max  0.1626
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(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            11714
_diffrn_reflns_av_unetI/netI     0.1352
_diffrn_reflns_av_R_equivalents  0.0856
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.265
_diffrn_reflns_theta_max         25.020
_diffrn_reflns_theta_full        25.020
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             7930
_reflns_number_gt                4246
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.1280P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7930
_refine_ls_number_parameters     596
_refine_ls_number_restraints     1797
_refine_ls_R_factor_all          0.1331
_refine_ls_R_factor_gt           0.0815
_refine_ls_wR_factor_ref         0.2284
_refine_ls_wR_factor_gt          0.2058
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_restrained_S_all      0.860
_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 0.74814(10) 0.49222(9) 0.32601(7) 0.0471(3) Uani 1 1 d . U . . .
W2 W 1.04593(11) 0.56153(9) 0.29191(7) 0.0472(3) Uani 1 1 d . U . . .
W3 W 0.92142(10) 0.30074(8) 0.30678(7) 0.0461(3) Uani 1 1 d . U . . .
W4 W 1.29779(10) 0.56879(9) 0.46581(7) 0.0450(3) Uani 1 1 d . U . . .
W5 W 1.17306(11) 0.30806(9) 0.48149(8) 0.0467(3) Uani 1 1 d . U . . .
W6 W 0.87467(11) 0.23920(8) 0.51461(8) 0.0472(3) Uani 1 1 d . U . . .
Ag1 Ag 0.3318(3) 1.1603(3) -0.00577(19) 0.0715(11) Uani 0.836(5) 1 d . U P A 1
Ag2 Ag 0.4485(11) 0.6981(8) -0.0119(7) 0.088(2) Uani 0.319(5) 1 d . U P B 1
Ag1' Ag 0.2370(19) 1.1035(14) 0.0018(10) 0.0715(11) Uani 0.164(5) 1 d . U P A 2
Ag2' Ag 0.552(2) 0.7541(14) 0.0137(12) 0.088(2) Uani 0.181(5) 1 d . U P B 2
P1 P 1.000000 0.500000 0.500000 0.0254(14) Uani 1 2 d S U P . .
N1 N 0.266(2) 1.1423(18) -0.1533(15) 0.059(4) Uani 1 1 d . U . . .
N2 N 0.325(2) 0.9791(19) -0.0751(15) 0.060(3) Uani 1 1 d . U . . .
N3 N 0.437(2) 0.8511(19) -0.0704(16) 0.064(4) Uani 1 1 d . U . . .
N4 N 0.608(2) 0.7633(19) -0.1397(16) 0.062(4) Uani 1 1 d . U . . .
N5 N 0.355(2) 0.9034(19) 0.0455(16) 0.067(5) Uani 1 1 d . U . . .
H5A H 0.382190 0.858955 0.073554 0.081 Uiso 1 1 calc R U . . .
H5B H 0.314386 0.942619 0.069230 0.081 Uiso 1 1 calc R U . . .
O1 O 1.051(3) 0.526(3) 0.601(2) 0.046(5) Uani 0.5 1 d . U P . .
O2 O 0.872(3) 0.522(3) 0.481(2) 0.047(4) Uani 0.5 1 d . U P . .
O3 O 1.085(3) 0.571(3) 0.454(2) 0.046(4) Uani 0.5 1 d . U P . .
O4 O 0.996(3) 0.388(3) 0.467(2) 0.050(3) Uani 0.5 1 d . U P . .
O5 O 0.6754(18) 0.4303(14) 0.4101(12) 0.056(3) Uani 1 1 d . U . . .
O6 O 0.6273(18) 0.4878(17) 0.2437(15) 0.072(5) Uani 1 1 d . U . . .
O7 O 0.8734(17) 0.5507(15) 0.2747(13) 0.058(3) Uani 1 1 d . U . . .
O8 O 0.7923(17) 0.3625(15) 0.2918(13) 0.057(3) Uani 1 1 d . U . . .
O9 O 1.0690(17) 0.5900(15) 0.1939(12) 0.055(4) Uani 1 1 d . U . . .
O10 O 1.2008(17) 0.5489(15) 0.3494(12) 0.055(3) Uani 1 1 d . U . . .
O11 O 1.0038(17) 0.4122(15) 0.2650(13) 0.059(3) Uani 1 1 d . U . . .
O12 O 0.8868(18) 0.2085(17) 0.2173(13) 0.068(5) Uani 1 1 d . U . . .
O13 O 1.0725(17) 0.2815(15) 0.3636(12) 0.055(3) Uani 1 1 d . U . . .
O14 O 1.2640(18) 0.4211(15) 0.4444(13) 0.060(3) Uani 1 1 d . U . . .
O15 O 1.4373(18) 0.6001(18) 0.4496(14) 0.074(6) Uani 1 1 d . U . . .
O16 O 1.255(2) 0.2192(17) 0.4730(15) 0.074(5) Uani 1 1 d . U . . .
O17 O 1.2302(18) 0.3775(16) 0.5976(13) 0.064(4) Uani 1 1 d . U . . .
O18 O 1.0379(17) 0.2396(15) 0.5195(13) 0.060(3) Uani 1 1 d . U . . .
O19 O 0.8144(18) 0.1188(15) 0.5223(15) 0.068(5) Uani 1 1 d . U . . .
O20 O 0.9196(17) 0.3031(15) 0.6356(13) 0.062(4) Uani 1 1 d . U . . .
O21 O 0.7380(18) 0.2991(15) 0.5080(13) 0.062(3) Uani 1 1 d . U . . .
O22 O 0.8509(17) 0.2327(15) 0.3886(12) 0.054(3) Uani 1 1 d . U . . .
O23 O 0.207(2) 1.0135(19) 0.1356(11) 0.101(5) Uani 1 1 d D U . . .
O24 O 0.415(3) 0.740(2) 0.1343(14) 0.102(5) Uani 1 1 d D U . . .
O25 O 1.145(2) 0.322(3) -0.002(2) 0.220(13) Uani 1 1 d D U . . .
S1 S 0.2185(18) 1.0274(16) 0.2321(11) 0.133(6) Uani 0.64(2) 1 d D U P A 1
S2 S 0.3875(14) 0.7001(11) 0.2126(10) 0.134(4) Uani 1 1 d D U . . .
S3 S 1.0207(16) 0.2606(17) -0.0331(10) 0.185(7) Uani 1 1 d D U . . .
S1' S 0.118(3) 0.977(3) 0.186(2) 0.126(8) Uani 0.36(2) 1 d D U P A 2
C1 C 0.198(3) 1.205(2) -0.2003(19) 0.061(4) Uani 1 1 d . U . . .
H1 H 0.182668 1.261420 -0.166245 0.073 Uiso 1 1 calc R U . . .
C2 C 0.157(3) 1.190(2) -0.2852(19) 0.060(5) Uani 1 1 d . U . . .
H2 H 0.122006 1.239050 -0.310477 0.072 Uiso 1 1 calc R U . . .
C3 C 0.164(3) 1.101(2) -0.338(2) 0.063(5) Uani 1 1 d . U . . .
H3 H 0.129947 1.086325 -0.398969 0.075 Uiso 1 1 calc R U . . .
C4 C 0.226(3) 1.031(2) -0.2977(18) 0.059(4) Uani 1 1 d . U . . .
H4 H 0.235316 0.971227 -0.332229 0.070 Uiso 1 1 calc R U . . .
C5 C 0.272(3) 1.052(2) -0.2079(19) 0.060(4) Uani 1 1 d . U . . .
C6 C 0.337(3) 0.983(2) -0.1583(19) 0.058(4) Uani 1 1 d . U . . .
C7 C 0.389(3) 0.919(2) -0.2035(18) 0.053(4) Uani 1 1 d . U . . .
H7 H 0.387342 0.918333 -0.263432 0.064 Uiso 1 1 calc R U . . .
C8 C 0.446(3) 0.852(2) -0.1568(19) 0.060(3) Uani 1 1 d . U . . .
C9 C 0.375(3) 0.912(2) -0.037(2) 0.064(4) Uani 1 1 d . U . . .
C10 C 0.522(3) 0.790(2) -0.1921(19) 0.057(4) Uani 1 1 d . U . . .
C11 C 0.506(3) 0.761(2) -0.2849(19) 0.059(4) Uani 1 1 d . U . . .
H11 H 0.447074 0.782799 -0.322518 0.071 Uiso 1 1 calc R U . . .
C12 C 0.578(3) 0.699(2) -0.3220(19) 0.056(4) Uani 1 1 d . U . . .
H12 H 0.566834 0.679145 -0.383215 0.068 Uiso 1 1 calc R U . . .
C13 C 0.669(3) 0.669(2) -0.261(2) 0.064(5) Uani 1 1 d . U . . .
H13 H 0.720452 0.630394 -0.280104 0.077 Uiso 1 1 calc R U . . .
C14 C 0.673(3) 0.704(2) -0.171(2) 0.064(4) Uani 1 1 d . U . . .
H14 H 0.727752 0.682605 -0.129464 0.077 Uiso 1 1 calc R U . . .
C15 C 0.084(4) 1.064(4) 0.253(3) 0.134(11) Uani 0.64(2) 1 d D U P A 1
H15A H 0.035709 1.073744 0.199246 0.201 Uiso 0.64(2) 1 d R U P A 1
H15B H 0.107934 1.127501 0.295735 0.201 Uiso 0.64(2) 1 d R U P A 1
H15C H 0.038280 1.011022 0.277021 0.201 Uiso 0.64(2) 1 d R U P A 1
C16 C 0.192(6) 0.900(3) 0.260(3) 0.130(11) Uani 0.64(2) 1 d D U P A 1
H16A H 0.108894 0.878203 0.261431 0.195 Uiso 0.64(2) 1 calc R U P A 1
H16B H 0.241719 0.901956 0.317165 0.195 Uiso 0.64(2) 1 calc R U P A 1
H16C H 0.211206 0.852073 0.215866 0.195 Uiso 0.64(2) 1 calc R U P A 1
C15' C 0.166(8) 1.058(6) 0.295(3) 0.125(12) Uani 0.36(2) 1 d D U P A 2
H15D H 0.109125 1.099089 0.304506 0.187 Uiso 0.36(2) 1 d R U P A 2
H15E H 0.243455 1.102864 0.300282 0.187 Uiso 0.36(2) 1 d R U P A 2
H15F H 0.172143 1.013692 0.337975 0.187 Uiso 0.36(2) 1 d R U P A 2
C16' C 0.150(9) 0.859(5) 0.218(6) 0.128(11) Uani 0.36(2) 1 d D U P A 2
H16D H 0.235704 0.865106 0.235319 0.192 Uiso 0.36(2) 1 d R U P A 2
H16E H 0.116245 0.803290 0.168265 0.192 Uiso 0.36(2) 1 d R U P A 2
H16F H 0.114867 0.844539 0.267283 0.192 Uiso 0.36(2) 1 d R U P A 2
C17 C 0.532(3) 0.726(4) 0.289(3) 0.129(11) Uani 1 1 d D U . . .
H17A H 0.572935 0.796844 0.292225 0.193 Uiso 1 1 calc R U . . .
H17B H 0.578504 0.680282 0.267597 0.193 Uiso 1 1 calc R U . . .
H17C H 0.520769 0.715737 0.346360 0.193 Uiso 1 1 calc R U . . .
C18 C 0.365(4) 0.5617(14) 0.185(3) 0.128(10) Uani 1 1 d D U . . .
H18A H 0.310279 0.536333 0.128498 0.192 Uiso 1 1 calc R U . . .
H18B H 0.333140 0.530630 0.229954 0.192 Uiso 1 1 calc R U . . .
H18C H 0.441085 0.544165 0.182680 0.192 Uiso 1 1 calc R U . . .
C19 C 1.003(4) 0.170(3) 0.041(3) 0.166(12) Uani 1 1 d D U . . .
H19A H 1.000420 0.101292 0.010603 0.250 Uiso 1 1 calc R U . . .
H19B H 0.930090 0.169860 0.060958 0.250 Uiso 1 1 calc R U . . .
H19C H 1.070332 0.189337 0.091749 0.250 Uiso 1 1 calc R U . . .
C20 C 0.924(3) 0.339(3) 0.004(3) 0.201(15) Uani 1 1 d D U . . .
H20A H 0.872163 0.355970 -0.045236 0.301 Uiso 1 1 d R U . . .
H20B H 0.974400 0.402319 0.040666 0.301 Uiso 1 1 d R U . . .
H20C H 0.876155 0.302867 0.038402 0.301 Uiso 1 1 d 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 O6 1.696(19) . ?
W1 O7 1.886(19) . ?
W1 O5 1.892(18) . ?
W1 O17 1.91(2) 2_766 ?
W1 O8 1.934(19) . ?
W1 O1 2.47(3) 2_766 ?
W1 O2 2.50(3) . ?
W2 O9 1.684(17) . ?
W2 O10 1.902(18) . ?
W2 O11 1.924(19) . ?
W2 O20 1.917(19) 2_766 ?
W2 O7 1.947(19) . ?
W2 O3 2.47(3) . ?
W2 O1 2.49(3) 2_766 ?
W3 O12 1.65(2) . ?
W3 O8 1.841(19) . ?
W3 O11 1.878(19) . ?
W3 O22 1.889(18) . ?
W3 O13 1.892(19) . ?
W3 O1 2.47(3) 2_766 ?
W3 O4 2.52(4) . ?
W4 O15 1.67(2) . ?
W4 O21 1.899(19) 2_766 ?
W4 O10 1.896(18) . ?
W4 O5 1.897(19) 2_766 ?
W4 O14 1.904(19) . ?
W4 O2 2.45(4) 2_766 ?
W4 O3 2.45(3) . ?
W5 O16 1.666(19) . ?
W5 O17 1.84(2) . ?
W5 O14 1.898(19) . ?
W5 O18 1.901(19) . ?
W5 O13 1.923(19) . ?
W5 O2 2.45(3) 2_766 ?
W5 O4 2.48(4) . ?
W6 O19 1.66(2) . ?
W6 O20 1.88(2) . ?
W6 O18 1.884(19) . ?
W6 O21 1.905(19) . ?
W6 O22 1.918(18) . ?
W6 O3 2.44(3) 2_766 ?
W6 O4 2.50(4) . ?
Ag1 N1 2.24(2) . ?
Ag1 N4 2.27(2) 2_675 ?
Ag1 N2 2.49(2) . ?
Ag1 Ag2 2.810(13) 2_675 ?
Ag2 N3 2.37(2) . ?
Ag2 O24 2.39(2) . ?
Ag2 N4 3.07(3) . ?
Ag1' N2 2.41(3) . ?
Ag1' N1 2.61(3) . ?
Ag1' O23 2.60(3) . ?
Ag1' Ag2' 2.87(3) 2_675 ?
Ag2' N3 2.38(3) . ?
Ag2' N4 2.61(3) . ?
P1 O4 1.50(4) 2_766 ?
P1 O4 1.50(4) . ?
P1 O1 1.54(3) 2_766 ?
P1 O1 1.54(3) . ?
P1 O2 1.55(3) 2_766 ?
P1 O2 1.55(3) . ?
P1 O3 1.58(3) 2_766 ?
P1 O3 1.58(3) . ?
N1 C5 1.40(3) . ?
N1 C1 1.43(3) . ?
N2 C9 1.32(3) . ?
N2 C6 1.34(3) . ?
N3 C9 1.29(4) . ?
N3 C8 1.37(4) . ?
N4 C14 1.31(3) . ?
N4 C10 1.30(3) . ?
N5 C9 1.37(3) . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
O1 O4 1.77(5) 2_766 ?
O1 O2 1.82(5) 2_766 ?
O1 O3 1.82(5) 2_766 ?
O2 O4 1.73(5) 2_766 ?
O2 O3 1.79(4) 2_766 ?
O3 O4 1.77(5) 2_766 ?
O23 S1' 1.466(10) . ?
O23 S1 1.467(10) . ?
O24 S2 1.464(10) . ?
O25 S3 1.463(10) . ?
S1 C16 1.799(10) . ?
S1 C15 1.798(10) . ?
S2 C18 1.794(10) . ?
S2 C17 1.797(10) . ?
S3 C20 1.800(10) . ?
S3 C19 1.805(10) . ?
S1' C16' 1.803(10) . ?
S1' C15' 1.803(10) . ?
C1 C2 1.29(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.38(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.43(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.37(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.50(3) . ?
C6 C7 1.34(4) . ?
C7 C8 1.41(3) . ?
C7 H7 0.9300 . ?
C8 C10 1.46(4) . ?
C10 C11 1.41(4) . ?
C11 C12 1.43(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.43(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.41(4) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C15' H15D 0.9600 . ?
C15' H15E 0.9600 . ?
C15' H15F 0.9600 . ?
C16' H16D 0.9600 . ?
C16' H16E 0.9600 . ?
C16' H16F 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O6 W1 O7 100.1(9) . . ?
O6 W1 O5 102.1(10) . . ?
O7 W1 O5 157.7(8) . . ?
O6 W1 O17 104.3(10) . 2_766 ?
O7 W1 O17 89.7(8) . 2_766 ?
O5 W1 O17 87.2(8) . 2_766 ?
O6 W1 O8 103.0(10) . . ?
O7 W1 O8 85.0(8) . . ?
O5 W1 O8 87.7(8) . . ?
O17 W1 O8 152.7(8) 2_766 . ?
O6 W1 O1 159.4(12) . 2_766 ?
O7 W1 O1 65.8(10) . 2_766 ?
O5 W1 O1 92.2(10) . 2_766 ?
O17 W1 O1 91.1(10) 2_766 2_766 ?
O8 W1 O1 62.3(10) . 2_766 ?
O6 W1 O2 157.7(12) . . ?
O7 W1 O2 96.6(10) . . ?
O5 W1 O2 62.7(10) . . ?
O17 W1 O2 61.0(10) 2_766 . ?
O8 W1 O2 93.0(10) . . ?
O1 W1 O2 42.9(11) 2_766 . ?
O9 W2 O10 102.2(8) . . ?
O9 W2 O11 101.4(9) . . ?
O10 W2 O11 86.4(8) . . ?
O9 W2 O20 101.9(9) . 2_766 ?
O10 W2 O20 87.7(8) . 2_766 ?
O11 W2 O20 156.7(9) . 2_766 ?
O9 W2 O7 100.9(8) . . ?
O10 W2 O7 156.5(8) . . ?
O11 W2 O7 85.0(8) . . ?
O20 W2 O7 91.7(8) 2_766 . ?
O9 W2 O3 157.8(11) . . ?
O10 W2 O3 63.1(10) . . ?
O11 W2 O3 94.4(10) . . ?
O20 W2 O3 63.0(10) 2_766 . ?
O7 W2 O3 95.8(10) . . ?
O9 W2 O1 159.1(11) . 2_766 ?
O10 W2 O1 91.9(9) . 2_766 ?
O11 W2 O1 63.8(10) . 2_766 ?
O20 W2 O1 93.9(10) 2_766 2_766 ?
O7 W2 O1 64.7(9) . 2_766 ?
O3 W2 O1 43.0(12) . 2_766 ?
O12 W3 O8 102.9(10) . . ?
O12 W3 O11 100.8(9) . . ?
O8 W3 O11 86.6(8) . . ?
O12 W3 O22 102.4(9) . . ?
O8 W3 O22 86.7(8) . . ?
O11 W3 O22 156.7(8) . . ?
O12 W3 O13 100.7(10) . . ?
O8 W3 O13 156.3(9) . . ?
O11 W3 O13 88.2(8) . . ?
O22 W3 O13 89.0(8) . . ?
O12 W3 O1 159.3(11) . 2_766 ?
O8 W3 O1 63.2(10) . 2_766 ?
O11 W3 O1 64.7(10) . 2_766 ?
O22 W3 O1 92.5(10) . 2_766 ?
O13 W3 O1 93.8(10) . 2_766 ?
O12 W3 O4 159.2(11) . . ?
O8 W3 O4 92.7(10) . . ?
O11 W3 O4 93.6(10) . . ?
O22 W3 O4 64.5(10) . . ?
O13 W3 O4 64.6(10) . . ?
O1 W3 O4 41.5(11) 2_766 . ?
O15 W4 O21 102.1(10) . 2_766 ?
O15 W4 O10 102.7(9) . . ?
O21 W4 O10 89.4(8) 2_766 . ?
O15 W4 O5 102.9(9) . 2_766 ?
O21 W4 O5 86.5(8) 2_766 2_766 ?
O10 W4 O5 154.3(8) . 2_766 ?
O15 W4 O14 102.6(10) . . ?
O21 W4 O14 155.2(9) 2_766 . ?
O10 W4 O14 83.8(8) . . ?
O5 W4 O14 89.4(8) 2_766 . ?
O15 W4 O2 158.7(11) . 2_766 ?
O21 W4 O2 93.9(10) 2_766 2_766 ?
O10 W4 O2 91.3(10) . 2_766 ?
O5 W4 O2 63.8(10) 2_766 2_766 ?
O14 W4 O2 62.6(10) . 2_766 ?
O15 W4 O3 158.5(11) . . ?
O21 W4 O3 63.4(10) 2_766 . ?
O10 W4 O3 63.4(10) . . ?
O5 W4 O3 92.3(10) 2_766 . ?
O14 W4 O3 92.5(10) . . ?
O2 W4 O3 42.8(11) 2_766 . ?
O16 W5 O17 103.6(10) . . ?
O16 W5 O14 102.5(10) . . ?
O17 W5 O14 88.9(9) . . ?
O16 W5 O18 103.7(10) . . ?
O17 W5 O18 86.6(9) . . ?
O14 W5 O18 153.8(9) . . ?
O16 W5 O13 101.9(10) . . ?
O17 W5 O13 154.6(9) . . ?
O14 W5 O13 85.1(8) . . ?
O18 W5 O13 88.0(8) . . ?
O16 W5 O2 158.5(12) . 2_766 ?
O17 W5 O2 62.8(10) . 2_766 ?
O14 W5 O2 62.7(10) . 2_766 ?
O18 W5 O2 92.5(10) . 2_766 ?
O13 W5 O2 92.6(10) . 2_766 ?
O16 W5 O4 160.4(12) . . ?
O17 W5 O4 90.5(11) . . ?
O14 W5 O4 91.2(10) . . ?
O18 W5 O4 63.1(10) . . ?
O13 W5 O4 65.0(10) . . ?
O2 W5 O4 41.0(12) 2_766 . ?
O19 W6 O20 100.7(10) . . ?
O19 W6 O18 104.0(9) . . ?
O20 W6 O18 88.1(8) . . ?
O19 W6 O21 100.7(9) . . ?
O20 W6 O21 86.4(8) . . ?
O18 W6 O21 155.3(9) . . ?
O19 W6 O22 102.8(10) . . ?
O20 W6 O22 156.4(8) . . ?
O18 W6 O22 88.7(8) . . ?
O21 W6 O22 86.8(8) . . ?
O19 W6 O3 157.3(11) . 2_766 ?
O20 W6 O3 63.8(10) . 2_766 ?
O18 W6 O3 92.5(10) . 2_766 ?
O21 W6 O3 63.5(10) . 2_766 ?
O22 W6 O3 92.9(10) . 2_766 ?
O19 W6 O4 160.8(11) . . ?
O20 W6 O4 93.2(11) . . ?
O18 W6 O4 63.0(10) . . ?
O21 W6 O4 93.3(10) . . ?
O22 W6 O4 64.6(10) . . ?
O3 W6 O4 41.9(12) 2_766 . ?
N1 Ag1 N4 159.6(8) . 2_675 ?
N1 Ag1 N2 71.8(8) . . ?
N4 Ag1 N2 128.6(8) 2_675 . ?
N1 Ag1 Ag2 97.9(7) . 2_675 ?
N4 Ag1 Ag2 73.6(7) 2_675 2_675 ?
N2 Ag1 Ag2 115.0(6) . 2_675 ?
N3 Ag2 O24 103.4(9) . . ?
N3 Ag2 Ag1 64.0(7) . 2_675 ?
O24 Ag2 Ag1 100.1(8) . 2_675 ?
N3 Ag2 N4 60.4(8) . . ?
O24 Ag2 N4 144.7(9) . . ?
Ag1 Ag2 N4 45.0(5) 2_675 . ?
N2 Ag1' N1 67.1(8) . . ?
N2 Ag1' O23 98.5(9) . . ?
N1 Ag1' O23 164.2(10) . . ?
N2 Ag1' Ag2' 82.4(9) . 2_675 ?
N1 Ag1' Ag2' 59.2(8) . 2_675 ?
O23 Ag1' Ag2' 127.5(9) . 2_675 ?
N3 Ag2' N4 68.3(9) . . ?
N3 Ag2' Ag1' 87.3(9) . 2_675 ?
N4 Ag2' Ag1' 58.6(8) . 2_675 ?
O4 P1 O4 180.0 2_766 . ?
O4 P1 O1 108.8(18) 2_766 2_766 ?
O4 P1 O1 71.2(18) . 2_766 ?
O4 P1 O1 71.2(18) 2_766 . ?
O4 P1 O1 108.8(18) . . ?
O1 P1 O1 180.0(10) 2_766 . ?
O4 P1 O2 111.1(19) 2_766 2_766 ?
O4 P1 O2 68.9(19) . 2_766 ?
O1 P1 O2 107.9(18) 2_766 2_766 ?
O1 P1 O2 72.1(18) . 2_766 ?
O4 P1 O2 68.9(19) 2_766 . ?
O4 P1 O2 111.1(19) . . ?
O1 P1 O2 72.1(18) 2_766 . ?
O1 P1 O2 107.9(18) . . ?
O2 P1 O2 180.0 2_766 . ?
O4 P1 O3 109.9(19) 2_766 2_766 ?
O4 P1 O3 70.1(19) . 2_766 ?
O1 P1 O3 108.6(19) 2_766 2_766 ?
O1 P1 O3 71.4(19) . 2_766 ?
O2 P1 O3 110.4(17) 2_766 2_766 ?
O2 P1 O3 69.6(17) . 2_766 ?
O4 P1 O3 70.1(19) 2_766 . ?
O4 P1 O3 109.9(19) . . ?
O1 P1 O3 71.4(18) 2_766 . ?
O1 P1 O3 108.6(19) . . ?
O2 P1 O3 69.6(17) 2_766 . ?
O2 P1 O3 110.4(17) . . ?
O3 P1 O3 180.0 2_766 . ?
C5 N1 C1 113(2) . . ?
C5 N1 Ag1 118.5(16) . . ?
C1 N1 Ag1 127.8(18) . . ?
C5 N1 Ag1' 110.3(16) . . ?
C1 N1 Ag1' 122.2(18) . . ?
C9 N2 C6 115(2) . . ?
C9 N2 Ag1' 124(2) . . ?
C6 N2 Ag1' 120.5(17) . . ?
C9 N2 Ag1 127(2) . . ?
C6 N2 Ag1 105.7(17) . . ?
C9 N3 C8 117(2) . . ?
C9 N3 Ag2 118(2) . . ?
C8 N3 Ag2 118.9(18) . . ?
C9 N3 Ag2' 124(2) . . ?
C8 N3 Ag2' 118.1(18) . . ?
C14 N4 C10 121(3) . . ?
C14 N4 Ag1 117(2) . 2_675 ?
C10 N4 Ag1 121(2) . 2_675 ?
C14 N4 Ag2' 121.6(18) . . ?
C10 N4 Ag2' 109.2(19) . . ?
C14 N4 Ag2 122.2(19) . . ?
C10 N4 Ag2 93.5(18) . . ?
Ag1 N4 Ag2 61.3(6) 2_675 . ?
C9 N5 H5A 120.0 . . ?
C9 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
P1 O1 O4 53.4(15) . 2_766 ?
P1 O1 O2 54.4(16) . 2_766 ?
O4 O1 O2 89(2) 2_766 2_766 ?
P1 O1 O3 55.4(15) . 2_766 ?
O4 O1 O3 89(2) 2_766 2_766 ?
O2 O1 O3 90(2) 2_766 2_766 ?
P1 O1 W1 124.0(19) . 2_766 ?
O4 O1 W1 132(2) 2_766 2_766 ?
O2 O1 W1 69.5(15) 2_766 2_766 ?
O3 O1 W1 131(2) 2_766 2_766 ?
P1 O1 W3 124.0(17) . 2_766 ?
O4 O1 W3 70.6(16) 2_766 2_766 ?
O2 O1 W3 132(2) 2_766 2_766 ?
O3 O1 W3 131(2) 2_766 2_766 ?
W1 O1 W3 92.4(11) 2_766 2_766 ?
P1 O1 W2 123.2(19) . 2_766 ?
O4 O1 W2 131(2) 2_766 2_766 ?
O2 O1 W2 131(2) 2_766 2_766 ?
O3 O1 W2 67.8(15) 2_766 2_766 ?
W1 O1 W2 92.1(11) 2_766 2_766 ?
W3 O1 W2 91.9(12) 2_766 2_766 ?
P1 O2 O4 54.0(16) . 2_766 ?
P1 O2 O3 55.8(16) . 2_766 ?
O4 O2 O3 92(2) 2_766 2_766 ?
P1 O2 O1 53.5(15) . 2_766 ?
O4 O2 O1 88(2) 2_766 2_766 ?
O3 O2 O1 89(2) 2_766 2_766 ?
P1 O2 W5 124.6(19) . 2_766 ?
O4 O2 W5 70.6(16) 2_766 2_766 ?
O3 O2 W5 134(2) 2_766 2_766 ?
O1 O2 W5 130(2) 2_766 2_766 ?
P1 O2 W4 124.5(18) . 2_766 ?
O4 O2 W4 134(2) 2_766 2_766 ?
O3 O2 W4 68.7(15) 2_766 2_766 ?
O1 O2 W4 130(2) 2_766 2_766 ?
W5 O2 W4 93.5(12) 2_766 2_766 ?
P1 O2 W1 121.1(18) . . ?
O4 O2 W1 130(2) 2_766 . ?
O3 O2 W1 129(2) 2_766 . ?
O1 O2 W1 67.6(15) 2_766 . ?
W5 O2 W1 92.0(11) 2_766 . ?
W4 O2 W1 92.2(12) 2_766 . ?
P1 O3 O4 52.8(16) . 2_766 ?
P1 O3 O2 54.6(15) . 2_766 ?
O4 O3 O2 90(2) 2_766 2_766 ?
P1 O3 O1 53.2(15) . 2_766 ?
O4 O3 O1 87(2) 2_766 2_766 ?
O2 O3 O1 88(2) 2_766 2_766 ?
P1 O3 W4 123.1(17) . . ?
O4 O3 W4 133(2) 2_766 . ?
O2 O3 W4 68.5(15) 2_766 . ?
O1 O3 W4 131(2) 2_766 . ?
P1 O3 W6 123.5(19) . 2_766 ?
O4 O3 W6 70.7(16) 2_766 2_766 ?
O2 O3 W6 133(2) 2_766 2_766 ?
O1 O3 W6 131.5(19) 2_766 2_766 ?
W4 O3 W6 93.4(12) . 2_766 ?
P1 O3 W2 122.4(19) . . ?
O4 O3 W2 131(2) 2_766 . ?
O2 O3 W2 129(2) 2_766 . ?
O1 O3 W2 69.1(15) 2_766 . ?
W4 O3 W2 92.8(12) . . ?
W6 O3 W2 93.3(11) 2_766 . ?
P1 O4 O2 57.1(17) . 2_766 ?
P1 O4 O1 55.4(16) . 2_766 ?
O2 O4 O1 91(2) 2_766 2_766 ?
P1 O4 O3 57.1(17) . 2_766 ?
O2 O4 O3 95(2) 2_766 2_766 ?
O1 O4 O3 91(2) 2_766 2_766 ?
P1 O4 W5 125(2) . . ?
O2 O4 W5 68.4(16) 2_766 . ?
O1 O4 W5 132(2) 2_766 . ?
O3 O4 W5 132(2) 2_766 . ?
P1 O4 W6 124(2) . . ?
O2 O4 W6 133(2) 2_766 . ?
O1 O4 W6 130(2) 2_766 . ?
O3 O4 W6 67.4(16) 2_766 . ?
W5 O4 W6 91.6(11) . . ?
P1 O4 W3 123.3(18) . . ?
O2 O4 W3 129(2) 2_766 . ?
O1 O4 W3 67.9(16) 2_766 . ?
O3 O4 W3 130(2) 2_766 . ?
W5 O4 W3 91.1(12) . . ?
W6 O4 W3 90.7(12) . . ?
W1 O5 W4 140.6(11) . 2_766 ?
W1 O7 W2 137.3(10) . . ?
W3 O8 W1 141.6(11) . . ?
W2 O10 W4 139.5(10) . . ?
W3 O11 W2 139.3(11) . . ?
W3 O13 W5 138.6(10) . . ?
W5 O14 W4 139.7(11) . . ?
W5 O17 W1 143.4(11) . 2_766 ?
W6 O18 W5 141.2(11) . . ?
W6 O20 W2 139.8(11) . 2_766 ?
W4 O21 W6 139.1(11) 2_766 . ?
W3 O22 W6 139.2(11) . . ?
S1' O23 Ag1' 143(2) . . ?
S2 O24 Ag2 146.3(17) . . ?
O23 S1 C16 107.1(13) . . ?
O23 S1 C15 106.7(13) . . ?
C16 S1 C15 98.7(11) . . ?
O24 S2 C18 106(2) . . ?
O24 S2 C17 104(2) . . ?
C18 S2 C17 98(2) . . ?
O25 S3 C20 107.4(13) . . ?
O25 S3 C19 105.4(12) . . ?
C20 S3 C19 97.3(10) . . ?
O23 S1' C16' 106.8(14) . . ?
O23 S1' C15' 106.3(14) . . ?
C16' S1' C15' 97.6(11) . . ?
C2 C1 N1 126(3) . . ?
C2 C1 H1 116.8 . . ?
N1 C1 H1 116.8 . . ?
C1 C2 C3 120(3) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C2 C3 C4 118(3) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
C5 C4 C3 120(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 N1 123(2) . . ?
C4 C5 C6 124(3) . . ?
N1 C5 C6 113(2) . . ?
C7 C6 N2 124(2) . . ?
C7 C6 C5 118(2) . . ?
N2 C6 C5 118(2) . . ?
C6 C7 C8 118(2) . . ?
C6 C7 H7 121.2 . . ?
C8 C7 H7 121.2 . . ?
N3 C8 C7 118(2) . . ?
N3 C8 C10 117(2) . . ?
C7 C8 C10 124(3) . . ?
N3 C9 N2 128(3) . . ?
N3 C9 N5 118(2) . . ?
N2 C9 N5 114(3) . . ?
N4 C10 C11 119(3) . . ?
N4 C10 C8 121(3) . . ?
C11 C10 C8 119(2) . . ?
C10 C11 C12 121(3) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C11 C12 C13 117(3) . . ?
C11 C12 H12 121.3 . . ?
C13 C12 H12 121.3 . . ?
C14 C13 C12 115(3) . . ?
C14 C13 H13 122.7 . . ?
C12 C13 H13 122.7 . . ?
N4 C14 C13 126(3) . . ?
N4 C14 H14 117.0 . . ?
C13 C14 H14 117.0 . . ?
S1 C15 H15A 110.2 . . ?
S1 C15 H15B 107.7 . . ?
H15A C15 H15B 109.5 . . ?
S1 C15 H15C 110.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
S1 C16 H16A 109.5 . . ?
S1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
S1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
S1' C15' H15D 110.8 . . ?
S1' C15' H15E 109.7 . . ?
H15D C15' H15E 109.5 . . ?
S1' C15' H15F 107.9 . . ?
H15D C15' H15F 109.5 . . ?
H15E C15' H15F 109.5 . . ?
S1' C16' H16D 110.5 . . ?
S1' C16' H16E 107.9 . . ?
H16D C16' H16E 109.5 . . ?
S1' C16' H16F 110.0 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
S2 C17 H17A 109.5 . . ?
S2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
S2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
S2 C18 H18A 109.5 . . ?
S2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
S2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
S3 C19 H19A 109.5 . . ?
S3 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
S3 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
S3 C20 H20A 111.6 . . ?
S3 C20 H20B 107.7 . . ?
H20A C20 H20B 109.5 . . ?
S3 C20 H20C 109.1 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C19 H19B O12 0.96 2.58 3.31(5) 132.3 . yes
C19 H19A S1'^b 0.96 3.05 3.66(6) 123.1 2_665 yes
C18 H18C O6 0.96 2.49 3.38(5) 154.2 . yes
C17 H17C O15 0.96 2.58 3.45(5) 151.0 1_455 yes
C16'^b H16E^b S3 0.96 2.32 3.18(11) 148.7 2_665 yes
C15'^b H15D^b O13 0.96 2.62 3.47(9) 147.5 1_465 yes
C15^a H15B^a O13 0.96 2.32 3.20(5) 152.3 1_465 yes
C14 H14 O25 0.93 2.30 3.19(5) 160.9 2_765 yes
C13 H13 O14 0.93 2.61 3.24(4) 125.4 2_765 yes
C4 H4 O22 0.93 2.67 3.48(4) 145.3 2_665 yes
C2 H2 O18 0.93 2.64 3.31(3) 128.6 1_464 yes
N5 H5B O23 0.86 2.05 2.90(3) 169.7 . yes
N5 H5A O24 0.86 2.03 2.88(3) 169.5 . yes

_refine_diff_density_max         5.814
_refine_diff_density_min         -2.531
_refine_diff_density_rms         0.435

####################################################################### 
# 
# 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_160412f
_database_code_depnum_ccdc_archive 'CCDC 1959951'
loop_
_audit_author_name
_audit_author_address
'Mingyu Dou'
;Beijing Institute of Technology
China
;
_audit_update_record             
;
2019-10-17 deposited with the CCDC.	2020-03-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C76 H112 Ag4 N20 O54 S10 Si W12'
_chemical_formula_weight         5156.23

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'
Si Si 0.0817 0.0704 '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'
W W -0.8490 6.8722 '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                   14.1080(13)
_cell_length_b                   15.0509(14)
_cell_length_c                   16.3421(15)
_cell_angle_alpha                97.1360(10)
_cell_angle_beta                 108.793(2)
_cell_angle_gamma                104.501(2)
_cell_volume                     3099.9(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2918
_cell_measurement_theta_min      2.447
_cell_measurement_theta_max      26.03

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.762
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2390
_exptl_absorpt_coefficient_mu    11.967
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1878
_exptl_absorpt_correction_T_max  0.2219
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15867
_diffrn_reflns_av_R_equivalents  0.0628
_diffrn_reflns_av_sigmaI/netI    0.1263
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.45
_diffrn_reflns_theta_max         25.02
_reflns_number_total             10734
_reflns_number_gt                5896
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1163P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10734
_refine_ls_number_parameters     825
_refine_ls_number_restraints     2522
_refine_ls_R_factor_all          0.1372
_refine_ls_R_factor_gt           0.0789
_refine_ls_wR_factor_ref         0.2223
_refine_ls_wR_factor_gt          0.1943
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_restrained_S_all      0.913
_refine_ls_shift/su_max          0.187
_refine_ls_shift/su_mean         0.002

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 0.46180(19) 0.84294(13) 0.59710(13) 0.0613(6) Uani 1 1 d U . .
Ag2 Ag 0.90353(19) 0.04794(15) 0.31759(13) 0.0636(6) Uani 1 1 d U . .
W1 W 0.31014(8) 0.43165(6) 0.09703(6) 0.0401(3) Uani 1 1 d U . .
W2 W 0.40161(8) 0.66935(7) 0.08551(6) 0.0430(3) Uani 1 1 d U . .
W3 W 0.58611(8) 0.73640(6) -0.01650(6) 0.0399(3) Uani 1 1 d U . .
W4 W 0.66668(8) 0.67726(6) 0.19159(6) 0.0402(3) Uani 1 1 d U . .
W5 W 0.76376(8) 0.50464(7) 0.10937(6) 0.0431(3) Uani 1 1 d U . .
W6 W 0.57485(8) 0.44136(6) 0.20851(5) 0.0390(3) Uani 1 1 d U . .
Si1 Si 0.5000 0.5000 0.0000 0.0134(12) Uani 1 2 d SU . .
S1 S 0.2288(7) 0.6601(6) 0.2792(5) 0.077(2) Uani 1 1 d U . .
S2 S 0.2322(8) 0.9293(6) 0.1400(6) 0.092(3) Uani 1 1 d U . .
S3 S 0.8784(10) 0.6279(7) 0.5052(7) 0.117(4) Uani 1 1 d U . .
S4 S 0.9722(11) 0.2231(8) 0.1306(7) 0.106(4) Uani 0.826(16) 1 d PDU A 1
S5 S 0.2494(16) 0.2518(14) 0.2813(14) 0.119(4) Uani 0.480(15) 1 d PDU B 1
S4' S 0.902(3) 0.253(4) 0.1473(19) 0.106(4) Uani 0.174(16) 1 d PDU A 2
S5' S 0.3149(15) 0.2511(13) 0.3447(12) 0.119(4) Uani 0.520(15) 1 d PDU B 2
N1 N 0.4582(17) 0.7204(14) 0.4981(13) 0.053(3) Uani 1 1 d U . .
N2 N 0.5820(16) 0.9042(13) 0.5163(12) 0.046(3) Uani 1 1 d U . .
N3 N 0.6166(15) 1.0314(12) 0.4467(11) 0.041(3) Uani 1 1 d U . .
N4 N 0.5631(16) 1.0880(13) 0.2850(12) 0.049(3) Uani 1 1 d U . .
N5 N 0.6577(15) 1.0580(13) 0.5967(11) 0.047(4) Uani 1 1 d U . .
H5A H 0.6821 1.1173 0.6000 0.057 Uiso 1 1 calc R . .
H5B H 0.6592 1.0379 0.6439 0.057 Uiso 1 1 calc R . .
N6 N 0.8413(17) 0.1609(14) 0.3544(13) 0.055(4) Uani 1 1 d U . .
N7 N 0.8578(16) 0.0270(14) 0.4539(12) 0.050(3) Uani 1 1 d U . .
N8 N 0.9326(15) -0.0088(13) 0.5914(11) 0.044(3) Uani 1 1 d U . .
N9 N 1.0648(16) 0.0545(13) 0.7690(12) 0.051(4) Uani 1 1 d U . .
N10 N 0.8664(16) -0.1231(12) 0.4630(12) 0.050(5) Uani 1 1 d U . .
H10A H 0.8843 -0.1635 0.4927 0.060 Uiso 1 1 calc R . .
H10B H 0.8358 -0.1397 0.4063 0.060 Uiso 1 1 calc R . .
O1 O 0.393(2) 0.5197(19) 0.0085(18) 0.038(4) Uani 0.50 1 d PU . .
O2 O 0.461(2) 0.431(2) 0.0619(19) 0.045(4) Uani 0.50 1 d PU . .
O3 O 0.595(2) 0.526(2) 0.0951(19) 0.048(3) Uani 0.50 1 d PU . .
O4 O 0.533(2) 0.6110(19) 0.0519(17) 0.038(3) Uani 0.50 1 d PU . .
O5 O 0.2217(14) 0.4032(12) 0.1416(10) 0.061(4) Uani 1 1 d U . .
O6 O 0.3135(14) 0.3102(12) 0.0481(11) 0.068(3) Uani 1 1 d U . .
O7 O 0.4385(14) 0.4457(11) 0.1963(11) 0.062(3) Uani 1 1 d U . .
O8 O 0.3581(14) 0.5667(11) 0.1308(11) 0.060(3) Uani 1 1 d U . .
O9 O 0.3556(15) 0.7490(12) 0.1276(11) 0.064(4) Uani 1 1 d U . .
O10 O 0.4754(13) 0.7408(12) 0.0233(10) 0.060(3) Uani 1 1 d U . .
O11 O 0.5339(13) 0.6915(11) 0.1755(10) 0.056(3) Uani 1 1 d U . .
O12 O 0.6305(12) 0.8434(11) -0.0231(10) 0.052(4) Uani 1 1 d U . .
O13 O 0.6695(13) 0.7435(12) 0.1035(10) 0.058(3) Uani 1 1 d U . .
O14 O 0.7454(15) 0.7608(12) 0.2828(10) 0.067(5) Uani 1 1 d U . .
O15 O 0.7642(14) 0.6234(11) 0.1711(11) 0.062(3) Uani 1 1 d U . .
O16 O 0.6252(13) 0.5729(11) 0.2414(11) 0.058(3) Uani 1 1 d U . .
O17 O 0.8902(15) 0.5081(12) 0.1635(13) 0.076(5) Uani 1 1 d U . .
O18 O 0.7068(15) 0.3887(12) 0.0295(12) 0.076(4) Uani 1 1 d U . .
O19 O 0.7766(14) 0.5695(12) 0.0201(10) 0.063(4) Uani 1 1 d U . .
O20 O 0.6915(14) 0.4480(12) 0.1822(11) 0.063(3) Uani 1 1 d U . .
O21 O 0.6103(14) 0.4111(11) 0.3082(9) 0.054(4) Uani 1 1 d U . .
O22 O 0.5121(15) 0.3199(12) 0.1353(12) 0.072(3) Uani 1 1 d U . .
O23 O 0.1999(16) 0.7313(13) 0.3286(12) 0.077(5) Uani 1 1 d U . .
O24 O 0.2953(19) 0.9932(16) 0.2323(15) 0.105(7) Uani 1 1 d U . .
O25 O 0.9346(17) 0.7244(12) 0.5483(13) 0.089(6) Uani 1 1 d U . .
O26 O 0.877(2) 0.1507(17) 0.1220(16) 0.117(5) Uani 1 1 d U . .
O27 O 0.276(2) 0.3469(16) 0.3434(15) 0.109(5) Uani 1 1 d U . .
O28 O 0.944(2) 0.5599(18) 0.0079(19) 0.152(8) Uani 1 1 d U . .
H28C H 0.9264 0.5474 0.0513 0.182 Uiso 1 1 d R . .
H28D H 0.9791 0.5244 -0.0018 0.182 Uiso 0.50 1 d PR . .
H28B H 0.8889 0.5500 -0.0379 0.182 Uiso 0.50 1 d PR . .
O29 O 0.722(2) 0.2244(17) 0.1053(15) 0.127(5) Uani 1 1 d U . .
H29F H 0.7143 0.2710 0.0821 0.152 Uiso 1 1 d R . .
H29G H 0.7825 0.2205 0.1120 0.152 Uiso 1 1 d R . .
C1 C 0.505(2) 0.7436(16) 0.4407(15) 0.047(3) Uani 1 1 d U . .
C2 C 0.505(2) 0.6669(17) 0.3782(15) 0.053(3) Uani 1 1 d U . .
H2 H 0.5363 0.6791 0.3370 0.063 Uiso 1 1 calc R . .
C3 C 0.459(2) 0.5782(18) 0.3803(17) 0.060(4) Uani 1 1 d U . .
H3 H 0.4540 0.5290 0.3369 0.073 Uiso 1 1 calc R . .
C4 C 0.420(2) 0.5581(18) 0.4458(16) 0.056(4) Uani 1 1 d U . .
H4 H 0.3956 0.4971 0.4524 0.067 Uiso 1 1 calc R . .
C5 C 0.421(2) 0.6367(17) 0.5006(16) 0.053(4) Uani 1 1 d U . .
H5 H 0.3915 0.6260 0.5430 0.064 Uiso 1 1 calc R . .
C6 C 0.552(2) 0.8463(17) 0.4438(15) 0.048(3) Uani 1 1 d U . .
C7 C 0.5602(19) 0.8730(16) 0.3638(14) 0.045(3) Uani 1 1 d U . .
H7 H 0.5472 0.8289 0.3132 0.054 Uiso 1 1 calc R . .
C8 C 0.5891(19) 0.9688(15) 0.3682(14) 0.040(3) Uani 1 1 d U . .
C9 C 0.6178(19) 0.9979(16) 0.5189(14) 0.042(4) Uani 1 1 d U . .
C10 C 0.5889(19) 1.0073(16) 0.2937(14) 0.044(3) Uani 1 1 d U . .
C11 C 0.6105(19) 0.9633(16) 0.2233(14) 0.048(4) Uani 1 1 d U . .
H11 H 0.6269 0.9074 0.2270 0.057 Uiso 1 1 calc R . .
C12 C 0.609(2) 0.9994(17) 0.1484(16) 0.054(4) Uani 1 1 d U . .
H12 H 0.6249 0.9699 0.1035 0.065 Uiso 1 1 calc R . .
C13 C 0.581(2) 1.0837(17) 0.1442(16) 0.054(4) Uani 1 1 d U . .
H13 H 0.5784 1.1106 0.0957 0.065 Uiso 1 1 calc R . .
C14 C 0.5573(19) 1.1259(16) 0.2128(14) 0.047(4) Uani 1 1 d U . .
H14 H 0.5375 1.1802 0.2093 0.056 Uiso 1 1 calc R . .
C15 C 0.836(2) 0.1780(18) 0.4367(16) 0.054(4) Uani 1 1 d U . .
C16 C 0.808(2) 0.2540(18) 0.4684(17) 0.059(4) Uani 1 1 d U . .
H16 H 0.8016 0.2625 0.5237 0.071 Uiso 1 1 calc R . .
C17 C 0.788(2) 0.3189(19) 0.4115(16) 0.061(5) Uani 1 1 d U . .
H17 H 0.7710 0.3715 0.4306 0.073 Uiso 1 1 calc R . .
C18 C 0.794(2) 0.303(2) 0.3288(18) 0.071(5) Uani 1 1 d U . .
H18 H 0.7868 0.3459 0.2932 0.085 Uiso 1 1 calc R . .
C19 C 0.812(2) 0.219(2) 0.2999(19) 0.075(4) Uani 1 1 d U . .
H19 H 0.8041 0.2020 0.2407 0.090 Uiso 1 1 calc R . .
C20 C 0.872(2) 0.1179(17) 0.4970(15) 0.047(3) Uani 1 1 d U . .
C21 C 0.9124(19) 0.1441(17) 0.5849(15) 0.050(4) Uani 1 1 d U . .
H21 H 0.9172 0.2031 0.6140 0.060 Uiso 1 1 calc R . .
C22 C 0.9481(19) 0.0803(16) 0.6323(14) 0.046(4) Uani 1 1 d U . .
C23 C 0.886(2) -0.0341(16) 0.5053(15) 0.049(4) Uani 1 1 d U . .
C24 C 1.005(2) 0.1067(16) 0.7349(14) 0.046(4) Uani 1 1 d U . .
C25 C 0.9940(19) 0.1818(16) 0.7832(14) 0.049(4) Uani 1 1 d U . .
H25 H 0.9534 0.2170 0.7551 0.059 Uiso 1 1 calc R . .
C26 C 1.045(2) 0.2049(19) 0.8749(16) 0.064(5) Uani 1 1 d U . .
H26 H 1.0345 0.2526 0.9099 0.076 Uiso 1 1 calc R . .
C27 C 1.112(2) 0.1539(17) 0.9128(16) 0.057(5) Uani 1 1 d U . .
H27 H 1.1489 0.1677 0.9736 0.069 Uiso 1 1 calc R . .
C28 C 1.120(2) 0.0810(16) 0.8553(14) 0.050(4) Uani 1 1 d U . .
H28 H 1.1677 0.0495 0.8794 0.060 Uiso 1 1 calc R . .
C29 C 0.161(3) 0.555(2) 0.298(2) 0.090(8) Uani 1 1 d U . .
H29A H 0.1774 0.5607 0.3601 0.135 Uiso 1 1 calc R . .
H29B H 0.1815 0.5045 0.2745 0.135 Uiso 1 1 calc R . .
H29C H 0.0866 0.5431 0.2682 0.135 Uiso 1 1 calc R . .
C30 C 0.141(3) 0.636(2) 0.1674(19) 0.094(8) Uani 1 1 d U . .
H30A H 0.0725 0.5992 0.1617 0.140 Uiso 1 1 calc R . .
H30B H 0.1665 0.6023 0.1296 0.140 Uiso 1 1 calc R . .
H30C H 0.1379 0.6945 0.1504 0.140 Uiso 1 1 calc R . .
C31 C 0.314(3) 0.938(2) 0.077(2) 0.083(7) Uani 1 1 d U . .
H31A H 0.3610 1.0011 0.0926 0.124 Uiso 1 1 calc R . .
H31B H 0.2715 0.9222 0.0149 0.124 Uiso 1 1 calc R . .
H31C H 0.3546 0.8951 0.0891 0.124 Uiso 1 1 calc R . .
C32 C 0.168(3) 0.999(3) 0.087(3) 0.114(10) Uani 1 1 d U . .
H32A H 0.1469 1.0343 0.1276 0.171 Uiso 1 1 calc R . .
H32B H 0.1069 0.9607 0.0375 0.171 Uiso 1 1 calc R . .
H32C H 0.2139 1.0416 0.0671 0.171 Uiso 1 1 calc R . .
C33 C 0.741(3) 0.620(2) 0.459(2) 0.093(7) Uani 1 1 d U . .
H33A H 0.7191 0.6420 0.5057 0.140 Uiso 1 1 calc R . .
H33B H 0.6995 0.5562 0.4307 0.140 Uiso 1 1 calc R . .
H33C H 0.7313 0.6590 0.4164 0.140 Uiso 1 1 calc R . .
C34 C 0.894(3) 0.609(2) 0.404(2) 0.108(9) Uani 1 1 d U . .
H34A H 0.8913 0.6631 0.3785 0.162 Uiso 1 1 calc R . .
H34B H 0.8391 0.5546 0.3642 0.162 Uiso 1 1 calc R . .
H34C H 0.9612 0.5994 0.4126 0.162 Uiso 1 1 calc R . .
C35 C 1.028(3) 0.308(2) 0.2349(14) 0.112(6) Uani 1 1 d DU . .
H35A H 0.9731 0.3204 0.2516 0.168 Uiso 0.826(16) 1 calc PR A 1
H35B H 1.0721 0.3649 0.2291 0.168 Uiso 0.826(16) 1 calc PR A 1
H35C H 1.0702 0.2828 0.2796 0.168 Uiso 0.826(16) 1 calc PR A 1
H35D H 1.0110 0.3396 0.2799 0.168 Uiso 0.174(16) 1 d PR A 2
H35E H 1.0798 0.3520 0.2211 0.168 Uiso 0.174(16) 1 d PR A 2
H35F H 1.0568 0.2595 0.2560 0.168 Uiso 0.174(16) 1 d PR A 2
C36 C 0.933(3) 0.302(2) 0.0605(19) 0.110(6) Uani 1 1 d DU . .
H36A H 0.9942 0.3434 0.0566 0.165 Uiso 0.826(16) 1 calc PR A 1
H36B H 0.8975 0.3375 0.0854 0.165 Uiso 0.826(16) 1 calc PR A 1
H36C H 0.8864 0.2654 0.0023 0.165 Uiso 0.826(16) 1 calc PR A 1
H36D H 1.0024 0.3459 0.0824 0.165 Uiso 0.174(16) 1 d PR A 2
H36E H 0.8818 0.3341 0.0433 0.165 Uiso 0.174(16) 1 d PR A 2
H36F H 0.9247 0.2559 0.0101 0.165 Uiso 0.174(16) 1 d PR A 2
C37 C 0.198(2) 0.1591(19) 0.3294(19) 0.108(7) Uani 1 1 d DU . .
H37A H 0.2543 0.1534 0.3786 0.162 Uiso 0.480(15) 1 calc PR B 1
H37B H 0.1670 0.1008 0.2857 0.162 Uiso 0.480(15) 1 calc PR B 1
H37C H 0.1458 0.1734 0.3497 0.162 Uiso 0.480(15) 1 calc PR B 1
H37D H 0.1903 0.1511 0.3845 0.162 Uiso 0.520(15) 1 d PR B 2
H37E H 0.2032 0.1021 0.3000 0.162 Uiso 0.520(15) 1 d PR B 2
H37F H 0.1383 0.1734 0.2923 0.162 Uiso 0.520(15) 1 d PR B 2
C38 C 0.356(2) 0.231(2) 0.2523(17) 0.098(5) Uani 1 1 d DU . .
H38A H 0.3488 0.2432 0.1948 0.146 Uiso 0.480(15) 1 calc PR B 1
H38B H 0.3538 0.1666 0.2515 0.146 Uiso 0.480(15) 1 calc PR B 1
H38C H 0.4217 0.2719 0.2953 0.146 Uiso 0.480(15) 1 calc PR B 1
H38D H 0.3566 0.1670 0.2408 0.146 Uiso 0.520(15) 1 d PR B 2
H38E H 0.4258 0.2730 0.2687 0.146 Uiso 0.520(15) 1 d PR B 2
H38F H 0.3099 0.2428 0.2000 0.146 Uiso 0.520(15) 1 d PR B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N4 2.244(18) 2_676 ?
Ag1 N1 2.28(2) . ?
Ag1 N3 2.487(18) 2_676 ?
Ag1 N2 2.537(17) . ?
Ag2 N9 2.189(19) 2_756 ?
Ag2 N6 2.20(2) . ?
Ag2 N7 2.544(19) . ?
Ag2 N8 2.57(2) 2_756 ?
W1 O5 1.633(16) . ?
W1 O19 1.906(16) 2_665 ?
W1 O8 1.920(16) . ?
W1 O6 1.921(16) . ?
W1 O7 1.945(17) . ?
W1 O2 2.37(3) . ?
W1 O1 2.45(3) . ?
W2 O9 1.675(16) . ?
W2 O8 1.847(17) . ?
W2 O11 1.885(17) . ?
W2 O10 1.915(16) . ?
W2 O18 1.925(17) 2_665 ?
W2 O1 2.39(3) . ?
W2 O4 2.42(3) . ?
W3 O12 1.606(17) . ?
W3 O10 1.887(18) . ?
W3 O13 1.907(16) . ?
W3 O6 1.908(18) 2_665 ?
W3 O22 1.918(17) 2_665 ?
W3 O4 2.39(3) . ?
W3 O2 2.40(3) 2_665 ?
W4 O14 1.675(15) . ?
W4 O13 1.856(16) . ?
W4 O15 1.857(19) . ?
W4 O11 1.877(18) . ?
W4 O16 1.907(17) . ?
W4 O4 2.34(3) . ?
W4 O3 2.37(3) . ?
W5 O17 1.70(2) . ?
W5 O18 1.857(17) . ?
W5 O19 1.885(15) . ?
W5 O15 1.938(17) . ?
W5 O20 1.945(17) . ?
W5 O1 2.33(3) 2_665 ?
W5 O3 2.42(3) . ?
W6 O21 1.698(15) . ?
W6 O20 1.812(18) . ?
W6 O16 1.870(16) . ?
W6 O22 1.876(16) . ?
W6 O7 1.888(18) . ?
W6 O2 2.38(3) . ?
W6 O3 2.43(3) . ?
Si1 O3 1.62(3) . ?
Si1 O3 1.62(3) 2_665 ?
Si1 O2 1.65(3) . ?
Si1 O2 1.65(3) 2_665 ?
Si1 O4 1.65(3) . ?
Si1 O4 1.65(3) 2_665 ?
Si1 O1 1.65(3) . ?
Si1 O1 1.65(3) 2_665 ?
S1 O23 1.476(18) . ?
S1 C29 1.74(3) . ?
S1 C30 1.78(3) . ?
S2 O24 1.53(2) . ?
S2 C32 1.69(4) . ?
S2 C31 1.77(3) . ?
S3 O25 1.429(19) . ?
S3 C34 1.74(4) . ?
S3 C33 1.81(4) . ?
S4 O26 1.46(3) . ?
S4 C35 1.800(9) . ?
S4 C36 1.808(9) . ?
S5 O27 1.53(3) . ?
S5 C37 1.795(9) . ?
S5 C38 1.798(9) . ?
S5 H37F 1.7867 . ?
S5 H38F 1.8039 . ?
S4' O26 1.46(6) . ?
S4' C36 1.799(10) . ?
S4' C35 1.801(10) . ?
S4' H29G 1.5150 . ?
S5' O27 1.67(3) . ?
S5' C37 1.789(9) . ?
S5' C38 1.799(9) . ?
N1 C5 1.25(3) . ?
N1 C1 1.34(3) . ?
N2 C6 1.25(3) . ?
N2 C9 1.36(3) . ?
N3 C9 1.34(2) . ?
N3 C8 1.37(2) . ?
N3 Ag1 2.487(18) 2_676 ?
N4 C14 1.36(3) . ?
N4 C10 1.36(3) . ?
N4 Ag1 2.244(18) 2_676 ?
N5 C9 1.32(3) . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
N6 C19 1.36(3) . ?
N6 C15 1.37(3) . ?
N7 C23 1.37(3) . ?
N7 C20 1.39(3) . ?
N8 C23 1.30(3) . ?
N8 C22 1.35(3) . ?
N8 Ag2 2.566(19) 2_756 ?
N9 C28 1.32(3) . ?
N9 C24 1.34(3) . ?
N9 Ag2 2.189(19) 2_756 ?
N10 C23 1.35(3) . ?
N10 H10A 0.8600 . ?
N10 H10B 0.8600 . ?
O1 W5 2.33(3) 2_665 ?
O2 W3 2.40(3) 2_665 ?
O3 O4 1.81(4) . ?
O6 W3 1.908(17) 2_665 ?
O18 W2 1.925(17) 2_665 ?
O19 W1 1.906(16) 2_665 ?
O22 W3 1.918(17) 2_665 ?
O28 H28C 0.8500 . ?
O28 H28D 0.8500 . ?
O28 H28B 0.8500 . ?
O29 H29F 0.8500 . ?
O29 H29G 0.8501 . ?
C1 C2 1.45(3) . ?
C1 C6 1.51(3) . ?
C2 C3 1.34(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.38(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.39(3) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.45(3) . ?
C7 C8 1.38(3) . ?
C7 H7 0.9300 . ?
C8 C10 1.41(3) . ?
C10 C11 1.41(3) . ?
C11 C12 1.40(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.42(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.39(3) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.40(3) . ?
C15 C20 1.47(3) . ?
C16 C17 1.45(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.38(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.40(4) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.33(3) . ?
C21 C22 1.40(3) . ?
C21 H21 0.9300 . ?
C22 C24 1.56(3) . ?
C24 C25 1.36(3) . ?
C25 C26 1.39(3) . ?
C25 H25 0.9300 . ?
C26 C27 1.40(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.41(3) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
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 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C35 H35D 0.9599 . ?
C35 H35E 0.9599 . ?
C35 H35F 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C36 H36D 0.9600 . ?
C36 H36E 0.9600 . ?
C36 H36F 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C37 H37D 0.9601 . ?
C37 H37E 0.9600 . ?
C37 H37F 0.9601 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C38 H38D 0.9600 . ?
C38 H38E 0.9601 . ?
C38 H38F 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
N4 Ag1 N1 156.0(7) 2_676 . ?
N4 Ag1 N3 72.6(6) 2_676 2_676 ?
N1 Ag1 N3 123.6(6) . 2_676 ?
N4 Ag1 N2 131.8(7) 2_676 . ?
N1 Ag1 N2 70.9(7) . . ?
N3 Ag1 N2 84.7(6) 2_676 . ?
N9 Ag2 N6 157.8(7) 2_756 . ?
N9 Ag2 N7 127.8(7) 2_756 . ?
N6 Ag2 N7 70.4(7) . . ?
N9 Ag2 N8 71.2(7) 2_756 2_756 ?
N6 Ag2 N8 128.8(7) . 2_756 ?
N7 Ag2 N8 81.5(6) . 2_756 ?
O5 W1 O19 100.7(8) . 2_665 ?
O5 W1 O8 102.8(8) . . ?
O19 W1 O8 92.7(7) 2_665 . ?
O5 W1 O6 101.7(8) . . ?
O19 W1 O6 86.5(8) 2_665 . ?
O8 W1 O6 155.2(8) . . ?
O5 W1 O7 101.1(8) . . ?
O19 W1 O7 158.1(8) 2_665 . ?
O8 W1 O7 82.4(7) . . ?
O6 W1 O7 89.1(7) . . ?
O5 W1 O2 158.3(10) . . ?
O19 W1 O2 95.2(9) 2_665 . ?
O8 W1 O2 90.9(9) . . ?
O6 W1 O2 64.5(9) . . ?
O7 W1 O2 63.7(9) . . ?
O5 W1 O1 153.9(9) . . ?
O19 W1 O1 62.1(8) 2_665 . ?
O8 W1 O1 61.4(8) . . ?
O6 W1 O1 96.9(8) . . ?
O7 W1 O1 97.3(9) . . ?
O2 W1 O1 47.8(10) . . ?
O9 W2 O8 103.1(8) . . ?
O9 W2 O11 102.0(8) . . ?
O8 W2 O11 85.1(7) . . ?
O9 W2 O10 100.9(8) . . ?
O8 W2 O10 155.9(8) . . ?
O11 W2 O10 87.1(7) . . ?
O9 W2 O18 103.1(9) . 2_665 ?
O8 W2 O18 91.9(7) . 2_665 ?
O11 W2 O18 154.7(8) . 2_665 ?
O10 W2 O18 85.5(8) . 2_665 ?
O9 W2 O1 156.4(10) . . ?
O8 W2 O1 63.5(8) . . ?
O11 W2 O1 96.2(9) . . ?
O10 W2 O1 94.8(9) . . ?
O18 W2 O1 60.4(9) 2_665 . ?
O9 W2 O4 156.0(9) . . ?
O8 W2 O4 92.3(9) . . ?
O11 W2 O4 60.5(8) . . ?
O10 W2 O4 64.1(9) . . ?
O18 W2 O4 94.6(9) 2_665 . ?
O1 W2 O4 47.7(10) . . ?
O12 W3 O10 102.1(7) . . ?
O12 W3 O13 100.1(7) . . ?
O10 W3 O13 87.1(7) . . ?
O12 W3 O6 97.5(8) . 2_665 ?
O10 W3 O6 160.1(8) . 2_665 ?
O13 W3 O6 86.5(8) . 2_665 ?
O12 W3 O22 101.4(8) . 2_665 ?
O10 W3 O22 91.0(8) . 2_665 ?
O13 W3 O22 158.3(8) . 2_665 ?
O6 W3 O22 88.1(8) 2_665 2_665 ?
O12 W3 O4 156.8(8) . . ?
O10 W3 O4 64.9(8) . . ?
O13 W3 O4 61.5(8) . . ?
O6 W3 O4 95.5(9) 2_665 . ?
O22 W3 O4 98.2(9) 2_665 . ?
O12 W3 O2 155.2(9) . 2_665 ?
O10 W3 O2 97.9(9) . 2_665 ?
O13 W3 O2 95.2(9) . 2_665 ?
O6 W3 O2 64.0(9) 2_665 2_665 ?
O22 W3 O2 63.6(9) 2_665 2_665 ?
O4 W3 O2 47.5(9) . 2_665 ?
O14 W4 O13 101.2(8) . . ?
O14 W4 O15 99.9(9) . . ?
O13 W4 O15 91.2(8) . . ?
O14 W4 O11 102.4(8) . . ?
O13 W4 O11 86.9(7) . . ?
O15 W4 O11 157.5(7) . . ?
O14 W4 O16 101.5(7) . . ?
O13 W4 O16 157.3(7) . . ?
O15 W4 O16 86.6(7) . . ?
O11 W4 O16 86.7(7) . . ?
O14 W4 O4 157.3(10) . . ?
O13 W4 O4 63.3(8) . . ?
O15 W4 O4 97.0(8) . . ?
O11 W4 O4 62.2(8) . . ?
O16 W4 O4 94.6(8) . . ?
O14 W4 O3 157.5(10) . . ?
O13 W4 O3 95.5(9) . . ?
O15 W4 O3 64.5(9) . . ?
O11 W4 O3 93.4(9) . . ?
O16 W4 O3 63.2(9) . . ?
O4 W4 O3 45.2(10) . . ?
O17 W5 O18 103.0(9) . . ?
O17 W5 O19 102.0(8) . . ?
O18 W5 O19 92.1(8) . . ?
O17 W5 O15 100.2(8) . . ?
O18 W5 O15 156.7(8) . . ?
O19 W5 O15 84.7(8) . . ?
O17 W5 O20 102.6(8) . . ?
O18 W5 O20 87.8(8) . . ?
O19 W5 O20 154.7(8) . . ?
O15 W5 O20 85.4(7) . . ?
O17 W5 O1 158.7(9) . 2_665 ?
O18 W5 O1 62.6(9) . 2_665 ?
O19 W5 O1 65.0(9) . 2_665 ?
O15 W5 O1 95.4(8) . 2_665 ?
O20 W5 O1 92.9(9) . 2_665 ?
O17 W5 O3 156.1(10) . . ?
O18 W5 O3 94.9(9) . . ?
O19 W5 O3 92.8(9) . . ?
O15 W5 O3 62.3(9) . . ?
O20 W5 O3 62.1(9) . . ?
O1 W5 O3 45.1(10) 2_665 . ?
O21 W6 O20 101.0(8) . . ?
O21 W6 O16 102.1(7) . . ?
O20 W6 O16 86.4(7) . . ?
O21 W6 O22 98.5(8) . . ?
O20 W6 O22 88.7(8) . . ?
O16 W6 O22 159.3(8) . . ?
O21 W6 O7 99.5(8) . . ?
O20 W6 O7 159.5(8) . . ?
O16 W6 O7 89.7(7) . . ?
O22 W6 O7 88.0(8) . . ?
O21 W6 O2 155.6(9) . . ?
O20 W6 O2 96.2(9) . . ?
O16 W6 O2 96.1(9) . . ?
O22 W6 O2 64.5(9) . . ?
O7 W6 O2 64.2(9) . . ?
O21 W6 O3 157.1(9) . . ?
O20 W6 O3 63.4(10) . . ?
O16 W6 O3 62.2(9) . . ?
O22 W6 O3 97.7(9) . . ?
O7 W6 O3 97.1(10) . . ?
O2 W6 O3 47.3(10) . . ?
O3 Si1 O3 180(2) . 2_665 ?
O3 Si1 O2 72.4(15) . . ?
O3 Si1 O2 107.6(15) 2_665 . ?
O3 Si1 O2 107.6(15) . 2_665 ?
O3 Si1 O2 72.4(15) 2_665 2_665 ?
O2 Si1 O2 180(2) . 2_665 ?
O3 Si1 O4 67.2(15) . . ?
O3 Si1 O4 112.8(15) 2_665 . ?
O2 Si1 O4 108.6(13) . . ?
O2 Si1 O4 71.4(13) 2_665 . ?
O3 Si1 O4 112.8(15) . 2_665 ?
O3 Si1 O4 67.2(15) 2_665 2_665 ?
O2 Si1 O4 71.4(13) . 2_665 ?
O2 Si1 O4 108.6(13) 2_665 2_665 ?
O4 Si1 O4 180.0(10) . 2_665 ?
O3 Si1 O1 112.1(15) . . ?
O3 Si1 O1 67.9(15) 2_665 . ?
O2 Si1 O1 72.5(14) . . ?
O2 Si1 O1 107.5(14) 2_665 . ?
O4 Si1 O1 72.0(14) . . ?
O4 Si1 O1 108.0(14) 2_665 . ?
O3 Si1 O1 67.9(15) . 2_665 ?
O3 Si1 O1 112.1(15) 2_665 2_665 ?
O2 Si1 O1 107.5(14) . 2_665 ?
O2 Si1 O1 72.5(14) 2_665 2_665 ?
O4 Si1 O1 108.0(14) . 2_665 ?
O4 Si1 O1 72.0(14) 2_665 2_665 ?
O1 Si1 O1 180(3) . 2_665 ?
O23 S1 C29 102.5(14) . . ?
O23 S1 C30 105.5(15) . . ?
C29 S1 C30 93.0(16) . . ?
O24 S2 C32 101.5(17) . . ?
O24 S2 C31 108.8(15) . . ?
C32 S2 C31 92.5(17) . . ?
O25 S3 C34 107.0(15) . . ?
O25 S3 C33 106.3(15) . . ?
C34 S3 C33 95.7(17) . . ?
O26 S4 C35 112.9(17) . . ?
O26 S4 C36 107.5(17) . . ?
C35 S4 C36 97.4(17) . . ?
O27 S5 C37 109.1(19) . . ?
O27 S5 C38 115.6(18) . . ?
C37 S5 C38 109.8(17) . . ?
O27 S5 H37F 107.2 . . ?
C37 S5 H37F 31.1 . . ?
C38 S5 H37F 131.7 . . ?
O27 S5 H38F 120.1 . . ?
C37 S5 H38F 126.8 . . ?
C38 S5 H38F 30.9 . . ?
H37F S5 H38F 131.4 . . ?
O26 S4' C36 108(3) . . ?
O26 S4' C35 112(3) . . ?
C36 S4' C35 97.7(18) . . ?
O26 S4' H29G 77.8 . . ?
C36 S4' H29G 103.6 . . ?
C35 S4' H29G 152.3 . . ?
O27 S5' C37 103.4(18) . . ?
O27 S5' C38 108.9(17) . . ?
C37 S5' C38 110.0(17) . . ?
C5 N1 C1 122(2) . . ?
C5 N1 Ag1 122.2(15) . . ?
C1 N1 Ag1 115.8(16) . . ?
C6 N2 C9 118.8(18) . . ?
C6 N2 Ag1 107.5(15) . . ?
C9 N2 Ag1 121.4(13) . . ?
C9 N3 C8 118.6(19) . . ?
C9 N3 Ag1 124.1(14) . 2_676 ?
C8 N3 Ag1 104.3(13) . 2_676 ?
C14 N4 C10 123.0(19) . . ?
C14 N4 Ag1 122.7(15) . 2_676 ?
C10 N4 Ag1 114.2(13) . 2_676 ?
C9 N5 H5A 120.0 . . ?
C9 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C19 N6 C15 118(2) . . ?
C19 N6 Ag2 122.7(18) . . ?
C15 N6 Ag2 119.6(16) . . ?
C23 N7 C20 117.6(18) . . ?
C23 N7 Ag2 124.3(15) . . ?
C20 N7 Ag2 104.8(14) . . ?
C23 N8 C22 119(2) . . ?
C23 N8 Ag2 125.2(16) . 2_756 ?
C22 N8 Ag2 103.9(14) . 2_756 ?
C28 N9 C24 117(2) . . ?
C28 N9 Ag2 121.4(17) . 2_756 ?
C24 N9 Ag2 120.7(14) . 2_756 ?
C23 N10 H10A 120.0 . . ?
C23 N10 H10B 120.0 . . ?
H10A N10 H10B 120.0 . . ?
Si1 O1 W5 125.3(14) . 2_665 ?
Si1 O1 W2 120.7(14) . . ?
W5 O1 W2 97.1(10) 2_665 . ?
Si1 O1 W1 117.7(14) . . ?
W5 O1 W1 95.1(10) 2_665 . ?
W2 O1 W1 93.8(9) . . ?
Si1 O2 W1 122.0(16) . . ?
Si1 O2 W6 120.6(15) . . ?
W1 O2 W6 96.5(10) . . ?
Si1 O2 W3 120.4(14) . 2_665 ?
W1 O2 W3 95.9(11) . 2_665 ?
W6 O2 W3 95.1(11) . 2_665 ?
Si1 O3 O4 57.4(13) . . ?
Si1 O3 W4 124.1(17) . . ?
O4 O3 W4 66.7(13) . . ?
Si1 O3 W5 121.7(16) . . ?
O4 O3 W5 132.5(17) . . ?
W4 O3 W5 95.3(11) . . ?
Si1 O3 W6 119.7(15) . . ?
O4 O3 W6 130.0(18) . . ?
W4 O3 W6 95.2(10) . . ?
W5 O3 W6 93.6(11) . . ?
Si1 O4 O3 55.4(13) . . ?
Si1 O4 W4 123.5(15) . . ?
O3 O4 W4 68.1(13) . . ?
Si1 O4 W3 120.6(13) . . ?
O3 O4 W3 132.1(17) . . ?
W4 O4 W3 96.1(10) . . ?
Si1 O4 W2 119.5(14) . . ?
O3 O4 W2 130.9(16) . . ?
W4 O4 W2 96.2(9) . . ?
W3 O4 W2 94.4(10) . . ?
W3 O6 W1 135.3(10) 2_665 . ?
W6 O7 W1 135.2(9) . . ?
W2 O8 W1 139.7(9) . . ?
W3 O10 W2 136.5(10) . . ?
W4 O11 W2 140.7(9) . . ?
W4 O13 W3 138.9(9) . . ?
W4 O15 W5 137.7(9) . . ?
W6 O16 W4 139.2(9) . . ?
W5 O18 W2 138.6(11) . 2_665 ?
W5 O19 W1 136.8(9) . 2_665 ?
W6 O20 W5 140.7(11) . . ?
W6 O22 W3 136.8(11) . 2_665 ?
S4 O26 S4' 51.9(19) . . ?
S5 O27 S5' 41.8(12) . . ?
H28C O28 H28D 108.2 . . ?
H28C O28 H28B 109.8 . . ?
H28D O28 H28B 109.8 . . ?
H29F O29 H29G 108.3 . . ?
N1 C1 C2 117(2) . . ?
N1 C1 C6 119.1(19) . . ?
C2 C1 C6 124.1(19) . . ?
C3 C2 C1 119(2) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 122(2) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C3 C4 C5 114(2) . . ?
C3 C4 H4 122.9 . . ?
C5 C4 H4 122.9 . . ?
N1 C5 C4 126(2) . . ?
N1 C5 H5 117.0 . . ?
C4 C5 H5 117.0 . . ?
N2 C6 C7 123(2) . . ?
N2 C6 C1 118.0(19) . . ?
C7 C6 C1 119(2) . . ?
C8 C7 C6 115(2) . . ?
C8 C7 H7 122.4 . . ?
C6 C7 H7 122.4 . . ?
N3 C8 C7 120.3(18) . . ?
N3 C8 C10 116.7(19) . . ?
C7 C8 C10 123.0(19) . . ?
N5 C9 N3 119(2) . . ?
N5 C9 N2 118.4(18) . . ?
N3 C9 N2 123(2) . . ?
N4 C10 C11 116.7(19) . . ?
N4 C10 C8 120.7(19) . . ?
C11 C10 C8 123(2) . . ?
C12 C11 C10 123(2) . . ?
C12 C11 H11 118.3 . . ?
C10 C11 H11 118.3 . . ?
C11 C12 C13 117(2) . . ?
C11 C12 H12 121.7 . . ?
C13 C12 H12 121.7 . . ?
C14 C13 C12 120(2) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
N4 C14 C13 120(2) . . ?
N4 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
N6 C15 C16 123(2) . . ?
N6 C15 C20 118(2) . . ?
C16 C15 C20 119(2) . . ?
C15 C16 C17 117(2) . . ?
C15 C16 H16 121.5 . . ?
C17 C16 H16 121.5 . . ?
C18 C17 C16 120(3) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C19 118(3) . . ?
C17 C18 H18 120.9 . . ?
C19 C18 H18 120.9 . . ?
N6 C19 C18 123(3) . . ?
N6 C19 H19 118.4 . . ?
C18 C19 H19 118.5 . . ?
C21 C20 N7 121(2) . . ?
C21 C20 C15 125(2) . . ?
N7 C20 C15 114.0(19) . . ?
C20 C21 C22 118(2) . . ?
C20 C21 H21 121.0 . . ?
C22 C21 H21 121.0 . . ?
N8 C22 C21 122(2) . . ?
N8 C22 C24 116(2) . . ?
C21 C22 C24 122(2) . . ?
N8 C23 N10 120(2) . . ?
N8 C23 N7 123(2) . . ?
N10 C23 N7 117(2) . . ?
N9 C24 C25 125(2) . . ?
N9 C24 C22 115.9(19) . . ?
C25 C24 C22 119(2) . . ?
C24 C25 C26 119(2) . . ?
C24 C25 H25 120.4 . . ?
C26 C25 H25 120.4 . . ?
C25 C26 C27 118(3) . . ?
C25 C26 H26 121.1 . . ?
C27 C26 H26 121.1 . . ?
C26 C27 C28 118(2) . . ?
C26 C27 H27 121.2 . . ?
C28 C27 H27 121.2 . . ?
N9 C28 C27 124(2) . . ?
N9 C28 H28 118.0 . . ?
C27 C28 H28 118.0 . . ?
S1 C29 H29A 109.5 . . ?
S1 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
S1 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
S1 C30 H30A 109.5 . . ?
S1 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
S1 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
S2 C31 H31A 109.5 . . ?
S2 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
S2 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
S2 C32 H32A 109.5 . . ?
S2 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
S2 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
S3 C33 H33A 109.5 . . ?
S3 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
S3 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
S3 C34 H34A 109.5 . . ?
S3 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
S3 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
S4 C35 S4' 41.6(19) . . ?
S4 C35 H35A 109.5 . . ?
S4' C35 H35A 68.6 . . ?
S4 C35 H35B 109.5 . . ?
S4' C35 H35B 117.1 . . ?
H35A C35 H35B 109.5 . . ?
S4 C35 H35C 109.5 . . ?
S4' C35 H35C 131.1 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
S4 C35 H35D 143.1 . . ?
S4' C35 H35D 102.4 . . ?
H35A C35 H35D 33.9 . . ?
H35B C35 H35D 93.4 . . ?
H35C C35 H35D 88.3 . . ?
S4 C35 H35E 97.7 . . ?
S4' C35 H35E 116.5 . . ?
H35A C35 H35E 126.0 . . ?
H35B C35 H35E 16.9 . . ?
H35C C35 H35E 103.6 . . ?
H35D C35 H35E 109.5 . . ?
S4 C35 H35F 83.1 . . ?
S4' C35 H35F 109.2 . . ?
H35A C35 H35F 119.2 . . ?
H35B C35 H35F 121.8 . . ?
H35C C35 H35F 26.4 . . ?
H35D C35 H35F 109.5 . . ?
H35E C35 H35F 109.5 . . ?
S4' C36 S4 41.5(19) . . ?
S4' C36 H36A 135.2 . . ?
S4 C36 H36A 109.5 . . ?
S4' C36 H36B 69.7 . . ?
S4 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
S4' C36 H36C 112.7 . . ?
S4 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
S4' C36 H36D 111.8 . . ?
S4 C36 H36D 93.6 . . ?
H36A C36 H36D 23.7 . . ?
H36B C36 H36D 100.1 . . ?
H36C C36 H36D 132.7 . . ?
S4' C36 H36E 101.2 . . ?
S4 C36 H36E 142.4 . . ?
H36A C36 H36E 102.6 . . ?
H36B C36 H36E 39.0 . . ?
H36C C36 H36E 76.5 . . ?
H36D C36 H36E 109.5 . . ?
S4' C36 H36F 115.0 . . ?
S4 C36 H36F 89.0 . . ?
H36A C36 H36F 91.7 . . ?
H36B C36 H36F 144.1 . . ?
H36C C36 H36F 34.7 . . ?
H36D C36 H36F 109.5 . . ?
H36E C36 H36F 109.5 . . ?
S5' C37 S5 37.4(9) . . ?
S5' C37 H37A 72.3 . . ?
S5 C37 H37A 109.5 . . ?
S5' C37 H37B 127.2 . . ?
S5 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
S5' C37 H37C 119.6 . . ?
S5 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
S5' C37 H37D 112.5 . . ?
S5 C37 H37D 139.1 . . ?
H37A C37 H37D 58.0 . . ?
H37B C37 H37D 111.4 . . ?
H37C C37 H37D 53.8 . . ?
S5' C37 H37E 107.0 . . ?
S5 C37 H37E 107.2 . . ?
H37A C37 H37E 83.8 . . ?
H37B C37 H37E 29.2 . . ?
H37C C37 H37E 133.4 . . ?
H37D C37 H37E 109.5 . . ?
S5' C37 H37F 108.8 . . ?
S5 C37 H37F 74.0 . . ?
H37A C37 H37F 165.1 . . ?
H37B C37 H37F 82.0 . . ?
H37C C37 H37F 56.5 . . ?
H37D C37 H37F 109.5 . . ?
H37E C37 H37F 109.5 . . ?
S5 C38 S5' 37.2(9) . . ?
S5 C38 H38A 109.5 . . ?
S5' C38 H38A 144.1 . . ?
S5 C38 H38B 109.5 . . ?
S5' C38 H38B 98.1 . . ?
H38A C38 H38B 109.5 . . ?
S5 C38 H38C 109.5 . . ?
S5' C38 H38C 81.1 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
S5 C38 H38D 117.6 . . ?
S5' C38 H38D 109.5 . . ?
H38A C38 H38D 98.5 . . ?
H38B C38 H38D 11.5 . . ?
H38C C38 H38D 111.7 . . ?
S5 C38 H38E 128.1 . . ?
S5' C38 H38E 107.4 . . ?
H38A C38 H38E 82.9 . . ?
H38B C38 H38E 113.1 . . ?
H38C C38 H38E 27.7 . . ?
H38D C38 H38E 109.5 . . ?
S5 C38 H38F 74.9 . . ?
S5' C38 H38F 111.5 . . ?
H38A C38 H38F 35.2 . . ?
H38B C38 H38F 116.5 . . ?
H38C C38 H38F 129.1 . . ?
H38D C38 H38F 109.5 . . ?
H38E C38 H38F 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         5.641
_refine_diff_density_min         -3.712
_refine_diff_density_rms         0.387
