# Electronic Supplementary Material (ESI) for Green Chemistry.
# This journal is © The Royal Society of Chemistry 2024

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2294354'
loop_
_audit_author_name
_audit_author_address
'Jian-Fang Ma'
;Northeast Normal University
China
;
_audit_update_record             
;
2023-09-12 deposited with the CCDC.	2024-02-09 downloaded from the CCDC.
;
_audit_creation_date             2023-04-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'O40 P W12, C112 H145 Ag2 N32 O8 S16, 2[C2H5OH], 2[CH3CN]'
_chemical_formula_sum            'C120 H163 Ag2 N34 O50 P S16 W12'
_chemical_formula_weight         5847.70
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.6937(6)
_cell_length_b                   18.4490(8)
_cell_length_c                   19.5975(7)
_cell_angle_alpha                75.711(4)
_cell_angle_beta                 77.491(4)
_cell_angle_gamma                88.110(4)
_cell_volume                     4340.9(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    6952
_cell_measurement_temperature    293(2)
_cell_measurement_theta_min      3.5160
_cell_measurement_theta_max      27.3130
_shelx_estimated_absorpt_T_max   0.432
_shelx_estimated_absorpt_T_min   0.202
_exptl_absorpt_coefficient_mu    8.418
_exptl_absorpt_correction_T_min  0.39633
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.118a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.237
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2774
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_unetI/netI     0.0993
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27986
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         3.281
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10064
_reflns_number_total             15233
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_data_collection       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.004
_refine_diff_density_min         -1.446
_refine_diff_density_rms         0.207
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1040
_refine_ls_number_reflns         15233
_refine_ls_number_restraints     73
_refine_ls_R_factor_all          0.0969
_refine_ls_R_factor_gt           0.0556
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0343P)²+2.3809P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1062
_refine_ls_wR_factor_ref         0.1277
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 H9-H17A
 2.2 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
C35 \\sim C36 \\sim C37 \\sim C38: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
C48 \\sim C50: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Uanis(P1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C49) \\sim Ueq, Uanis(C53) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(N10) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C36) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C38) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(N9) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: O15(0.5) O16(0.5) O17(0.5) O26(0.5) H9(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C17(H17A,H17B), C18(H18A,H18B), C39(H39A,H39B),
 C40(H40A,H40B), C52(H52A,H52B), C53(H53A,H53B)
4.b Aromatic/amide H refined with riding coordinates:
 N9(H9), C7(H7), C9(H9A), C21(H21), C23(H23), C32(H32), C34(H34), C46(H46),
 C56(H56)
4.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,
 H14C), C15(H15A,H15B,H15C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,
 H28B,H28C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C),
 C42(H42A,H42B,H42C), C49(H49A,H49B,H49C), C50(H50A,H50B,H50C), C51(H51A,H51B,
 H51C), C55(H55A,H55B,H55C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.69775(5) 0.58472(3) 0.06093(3) 0.04478(16) Uani 1 1 d . . . . .
W2 W 0.64774(4) 0.33208(3) 0.00907(3) 0.03734(15) Uani 1 1 d . . . . .
W3 W 0.57793(4) 0.40823(3) 0.16260(3) 0.04108(16) Uani 1 1 d . . . . .
W4 W 0.42420(5) 0.57268(3) 0.15497(2) 0.03818(15) Uani 1 1 d . . . . .
W5 W 0.37560(5) 0.32554(3) 0.10445(3) 0.04266(16) Uani 1 1 d . . . . .
W6 W 0.22567(4) 0.49320(3) 0.09090(2) 0.03779(15) Uani 1 1 d . . . . .
Ag1 Ag 1.07839(11) 0.19492(8) 0.29007(6) 0.0698(4) Uani 1 1 d . . . . .
S1 S 0.8435(4) 0.3155(3) 0.78579(19) 0.0734(14) Uani 1 1 d . . . . .
S2 S 0.7275(6) -0.0336(5) 0.7266(3) 0.161(3) Uani 1 1 d . . . . .
S3 S 0.3812(4) 0.3828(3) 0.3740(3) 0.0916(16) Uani 1 1 d . . . . .
S4 S 0.9047(3) 0.3808(2) 0.24773(17) 0.0518(10) Uani 1 1 d . . . . .
S5 S 1.0303(3) 0.38541(19) 0.47802(17) 0.0430(8) Uani 1 1 d . . . . .
S6 S 0.5894(3) 0.4009(2) 0.58380(17) 0.0471(9) Uani 1 1 d . . . . .
S7 S 0.5199(3) 0.1158(2) 0.54981(19) 0.0585(11) Uani 1 1 d . . . . .
S8 S 0.9536(3) 0.1150(2) 0.41435(17) 0.0443(9) Uani 1 1 d . . . . .
P1 P 0.500000 0.500000 0.000000 0.0091(7) Uani 1 2 d S U P . .
O1 O 0.7647(7) 0.1094(6) 0.5433(4) 0.050(2) Uani 1 1 d . . . . .
O2 O 0.8167(7) 0.3361(5) 0.5843(4) 0.041(2) Uani 1 1 d . . . . .
O3 O 0.9503(7) 0.2878(5) 0.3907(4) 0.045(2) Uani 1 1 d . . . . .
O4 O 0.5863(7) 0.2839(5) 0.4950(4) 0.049(2) Uani 1 1 d . . . . .
O5 O 0.7903(7) 0.6217(5) 0.0907(5) 0.055(3) Uani 1 1 d . . . . .
O6 O 0.7822(11) 0.5385(6) -0.0073(5) 0.091(4) Uani 1 1 d . . . . .
O7 O 0.6732(10) 0.6616(6) -0.0167(4) 0.080(4) Uani 1 1 d . . . . .
O8 O 0.6803(8) 0.4863(5) 0.1240(6) 0.083(4) Uani 1 1 d . . . . .
O9 O 0.5682(8) 0.6085(6) 0.1192(6) 0.088(4) Uani 1 1 d . . . . .
O10 O 0.3876(9) 0.6063(5) 0.2281(4) 0.062(3) Uani 1 1 d . . . . .
O11 O 0.4815(8) 0.4799(6) 0.1916(7) 0.088(4) Uani 1 1 d . . . . .
O12 O 0.2948(8) 0.5229(5) 0.1559(4) 0.056(3) Uani 1 1 d . . . . .
O13 O 0.0963(7) 0.4895(6) 0.1357(4) 0.064(3) Uani 1 1 d . . . . .
O14 O 0.2728(10) 0.3952(6) 0.1276(5) 0.085(4) Uani 1 1 d . . . . .
O15 O 0.3908(11) 0.4523(9) 0.0270(6) 0.025(4) Uani 0.5 1 d . . P . .
O16 O 0.5216(11) 0.4224(9) 0.0449(7) 0.028(4) Uani 0.5 1 d . . P . .
O17 O 0.5837(12) 0.4622(10) -0.0384(7) 0.035(4) Uani 0.5 1 d . . P . .
O18 O 0.4538(8) 0.3497(7) 0.1669(4) 0.076(4) Uani 1 1 d . . . . .
O19 O 0.3152(8) 0.2443(5) 0.1533(5) 0.061(3) Uani 1 1 d . . . . .
O20 O 0.5092(8) 0.2947(7) 0.0536(5) 0.078(4) Uani 1 1 d . . . . .
O21 O 0.7183(9) 0.2547(5) 0.0127(6) 0.069(3) Uani 1 1 d . . . . .
O22 O 0.6104(8) 0.3481(5) -0.0800(4) 0.060(3) Uani 1 1 d . . . . .
O23 O 0.7576(8) 0.4073(5) -0.0347(4) 0.058(3) Uani 1 1 d . . . . .
O24 O 0.6549(8) 0.3554(7) 0.0978(5) 0.069(3) Uani 1 1 d . . . . .
O25 O 0.6157(8) 0.3652(6) 0.2391(4) 0.065(3) Uani 1 1 d . . . . .
O26 O 0.5311(11) 0.5104(9) 0.0685(7) 0.030(4) Uani 0.5 1 d . . P . .
N1 N 1.0225(10) 0.2711(7) 0.1957(6) 0.060(4) Uani 1 1 d . . . . .
N2 N 1.0576(11) 0.2582(8) 0.1294(7) 0.069(4) Uani 1 1 d . . . . .
N3 N 1.0267(10) 0.3068(8) 0.0808(6) 0.066(4) Uani 1 1 d . . . . .
N4 N 0.9696(9) 0.3559(7) 0.1144(5) 0.051(3) Uani 1 1 d . . . . .
N5 N 0.2372(10) 0.3068(8) 0.3338(6) 0.057(4) Uani 1 1 d . . . . .
N6 N 0.2076(10) 0.2361(8) 0.3387(7) 0.066(4) Uani 1 1 d . . . . .
N7 N 0.2673(11) 0.1930(8) 0.3747(7) 0.070(4) Uani 1 1 d . . . . .
N8 N 0.3367(11) 0.2321(8) 0.3950(7) 0.072(4) Uani 1 1 d . . . . .
N9 N 0.9855(16) 0.1988(11) 0.7861(10) 0.133(7) Uani 1 1 d . U . . .
H9 H 0.973893 0.185392 0.749348 0.160 Uiso 0.5 1 calc DR U P . .
N10 N 1.058(2) 0.1668(14) 0.8301(13) 0.166(9) Uani 1 1 d . U . . .
N11 N 1.0555(18) 0.2044(12) 0.8752(10) 0.158(11) Uani 1 1 d . . . . .
N12 N 0.9843(10) 0.2583(8) 0.8678(7) 0.071(4) Uani 1 1 d . . . . .
N13 N 0.8562(16) -0.0033(11) 0.8126(8) 0.107(6) Uani 1 1 d . . . . .
N14 N 0.9420(19) -0.0313(11) 0.8377(10) 0.120(7) Uani 1 1 d . . . . .
N15 N 0.9743(18) -0.0822(12) 0.8070(12) 0.123(7) Uani 1 1 d . . . . .
N16 N 0.9070(16) -0.0910(10) 0.7632(8) 0.095(5) Uani 1 1 d . . . . .
C1 C 0.9209(12) 0.4192(8) 0.0736(7) 0.064(5) Uani 1 1 d . . . . .
H1A H 0.954589 0.427688 0.023363 0.096 Uiso 1 1 calc R U . . .
H1B H 0.930743 0.462876 0.090088 0.096 Uiso 1 1 calc R U . . .
H1C H 0.845214 0.409126 0.080161 0.096 Uiso 1 1 calc R U . . .
C2 C 0.9658(10) 0.3319(7) 0.1864(7) 0.041(3) Uani 1 1 d . . . . .
C3 C 0.8255(10) 0.3030(8) 0.3145(6) 0.045(4) Uani 1 1 d . . . . .
H3A H 0.749856 0.308835 0.312511 0.054 Uiso 1 1 calc R U . . .
H3B H 0.848639 0.256237 0.302354 0.054 Uiso 1 1 calc R U . . .
C4 C 0.8377(10) 0.2997(8) 0.3885(6) 0.041(3) Uani 1 1 d . . . . .
H4A H 0.814739 0.346176 0.401360 0.050 Uiso 1 1 calc R U . . .
H4B H 0.793518 0.259098 0.422630 0.050 Uiso 1 1 calc R U . . .
C5 C 0.9785(10) 0.2483(8) 0.4535(6) 0.041(3) Uani 1 1 d . . . . .
C6 C 1.0220(9) 0.2859(6) 0.4943(6) 0.031(3) Uani 1 1 d . . . . .
C7 C 1.0741(10) 0.2478(7) 0.5476(6) 0.039(3) Uani 1 1 d . . . . .
H7 H 1.101072 0.274240 0.575053 0.047 Uiso 1 1 calc R U . . .
C8 C 1.0869(9) 0.1699(7) 0.5606(6) 0.036(3) Uani 1 1 d . . . . .
C9 C 1.0363(10) 0.1330(8) 0.5224(6) 0.042(3) Uani 1 1 d . . . . .
H9A H 1.037563 0.080978 0.533152 0.051 Uiso 1 1 calc R U . . .
C10 C 0.9843(10) 0.1698(8) 0.4691(6) 0.037(3) Uani 1 1 d . . . . .
C11 C 1.1536(11) 0.1260(8) 0.6136(7) 0.046(4) Uani 1 1 d . . . . .
C12 C 1.2389(11) 0.0813(9) 0.5684(8) 0.067(5) Uani 1 1 d . . . . .
H12A H 1.201521 0.046585 0.552172 0.100 Uiso 1 1 calc R U . . .
H12B H 1.285331 0.054493 0.598199 0.100 Uiso 1 1 calc R U . . .
H12C H 1.281251 0.115812 0.527455 0.100 Uiso 1 1 calc R U . . .
C13 C 1.0796(13) 0.0717(8) 0.6743(7) 0.065(5) Uani 1 1 d . . . . .
H13A H 1.023406 0.098772 0.697955 0.098 Uiso 1 1 calc R U . . .
H13B H 1.120337 0.045298 0.708304 0.098 Uiso 1 1 calc R U . . .
H13C H 1.048273 0.036652 0.655034 0.098 Uiso 1 1 calc R U . . .
C14 C 1.2144(14) 0.1763(9) 0.6417(10) 0.088(6) Uani 1 1 d . . . . .
H14A H 1.261124 0.209626 0.602087 0.132 Uiso 1 1 calc R U . . .
H14B H 1.256740 0.146640 0.672982 0.132 Uiso 1 1 calc R U . . .
H14C H 1.164262 0.204917 0.668154 0.132 Uiso 1 1 calc R U . . .
C15 C 0.9751(12) 0.3107(9) 0.9104(7) 0.065(5) Uani 1 1 d . . . . .
H15A H 1.016973 0.294795 0.946548 0.098 Uiso 1 1 calc R U . . .
H15B H 0.900754 0.314068 0.933214 0.098 Uiso 1 1 calc R U . . .
H15C H 1.001284 0.358781 0.880327 0.098 Uiso 1 1 calc R U . . .
C16 C 0.9380(13) 0.2556(11) 0.8141(8) 0.070(5) Uani 1 1 d . . . . .
C17 C 0.8299(13) 0.2958(9) 0.7019(7) 0.067(5) Uani 1 1 d . . . . .
H17A H 0.886065 0.261855 0.688294 0.080 Uiso 1 1 calc DR U . . .
H17B H 0.760838 0.270743 0.709376 0.080 Uiso 1 1 calc R U . . .
C18 C 0.8371(14) 0.3624(8) 0.6434(6) 0.063(5) Uani 1 1 d . . . . .
H18A H 0.783716 0.398255 0.656276 0.075 Uiso 1 1 calc R U . . .
H18B H 0.908311 0.385727 0.631302 0.075 Uiso 1 1 calc R U . . .
C19 C 0.8089(11) 0.3929(7) 0.5247(6) 0.038(3) Uani 1 1 d . . . . .
C20 C 0.7083(10) 0.4198(7) 0.5158(6) 0.036(3) Uani 1 1 d . . . . .
C21 C 0.7002(11) 0.4752(7) 0.4535(6) 0.042(3) Uani 1 1 d . . . . .
H21 H 0.632810 0.494371 0.448597 0.051 Uiso 1 1 calc R U . . .
C22 C 0.7912(10) 0.5026(7) 0.3984(6) 0.034(3) Uani 1 1 d . . . . .
C23 C 0.8880(10) 0.4730(6) 0.4094(6) 0.036(3) Uani 1 1 d . . . . .
H23 H 0.949955 0.489966 0.374299 0.043 Uiso 1 1 calc R U . . .
C24 C 0.8979(10) 0.4187(7) 0.4706(6) 0.036(3) Uani 1 1 d . . . . .
C25 C 0.7760(11) 0.5625(7) 0.3330(6) 0.039(3) Uani 1 1 d . . . . .
C26 C 0.7302(14) 0.6317(8) 0.3579(8) 0.070(5) Uani 1 1 d . . . . .
H26A H 0.657226 0.621122 0.384715 0.105 Uiso 1 1 calc R U . . .
H26B H 0.731232 0.672711 0.316637 0.105 Uiso 1 1 calc R U . . .
H26C H 0.773260 0.644554 0.388017 0.105 Uiso 1 1 calc R U . . .
C27 C 0.6928(14) 0.5344(9) 0.2965(8) 0.074(5) Uani 1 1 d . . . . .
H27A H 0.722452 0.493516 0.276866 0.112 Uiso 1 1 calc R U . . .
H27B H 0.677357 0.574516 0.258511 0.112 Uiso 1 1 calc R U . . .
H27C H 0.627432 0.518038 0.331723 0.112 Uiso 1 1 calc R U . . .
C28 C 0.8802(13) 0.5838(10) 0.2778(8) 0.077(5) Uani 1 1 d . . . . .
H28A H 0.929100 0.606794 0.297644 0.116 Uiso 1 1 calc R U . . .
H28B H 0.865678 0.618326 0.235586 0.116 Uiso 1 1 calc R U . . .
H28C H 0.912036 0.539742 0.264928 0.116 Uiso 1 1 calc R U . . .
C29 C 0.5737(10) 0.3034(7) 0.6142(6) 0.038(3) Uani 1 1 d . . . . .
C30 C 0.5681(9) 0.2561(8) 0.5700(6) 0.040(3) Uani 1 1 d . . . . .
C31 C 0.5420(11) 0.1822(9) 0.5975(7) 0.046(4) Uani 1 1 d . . . . .
C32 C 0.5149(11) 0.1541(8) 0.6717(7) 0.053(4) Uani 1 1 d . . . . .
H32 H 0.499055 0.103303 0.690810 0.063 Uiso 1 1 calc R U . . .
C33 C 0.5112(12) 0.2015(8) 0.7186(6) 0.048(4) Uani 1 1 d . . . . .
C34 C 0.5414(11) 0.2756(8) 0.6892(6) 0.047(4) Uani 1 1 d . . . . .
H34 H 0.540500 0.307564 0.719300 0.056 Uiso 1 1 calc R U . . .
C35 C 0.4685(14) 0.1744(9) 0.8036(7) 0.061(4) Uani 1 1 d . U . . .
C36 C 0.3687(19) 0.2195(13) 0.8248(10) 0.130(8) Uani 1 1 d . U . . .
H36A H 0.389385 0.271135 0.815942 0.195 Uiso 1 1 calc R U . . .
H36B H 0.337213 0.200546 0.875097 0.195 Uiso 1 1 calc R U . . .
H36C H 0.317076 0.215088 0.796739 0.195 Uiso 1 1 calc R U . . .
C37 C 0.5507(18) 0.1913(13) 0.8409(9) 0.123(8) Uani 1 1 d . U . . .
H37A H 0.615182 0.164567 0.828145 0.185 Uiso 1 1 calc R U . . .
H37B H 0.523472 0.176178 0.892137 0.185 Uiso 1 1 calc R U . . .
H37C H 0.566722 0.244044 0.826813 0.185 Uiso 1 1 calc R U . . .
C38 C 0.4402(18) 0.0936(10) 0.8275(9) 0.103(6) Uani 1 1 d . U . . .
H38A H 0.377604 0.084358 0.810503 0.154 Uiso 1 1 calc R U . . .
H38B H 0.425020 0.078289 0.879168 0.154 Uiso 1 1 calc R U . . .
H38C H 0.499523 0.065723 0.808195 0.154 Uiso 1 1 calc R U . . .
C39 C 0.4804(13) 0.3103(11) 0.4763(7) 0.078(6) Uani 1 1 d . . . . .
H39A H 0.428995 0.268810 0.489273 0.093 Uiso 1 1 calc R U . . .
H39B H 0.450444 0.347745 0.501759 0.093 Uiso 1 1 calc R U . . .
C40 C 0.5038(15) 0.3417(11) 0.3997(9) 0.095(6) Uani 1 1 d . . . . .
H40A H 0.528311 0.303000 0.374629 0.114 Uiso 1 1 calc R U . . .
H40B H 0.560505 0.379766 0.386723 0.114 Uiso 1 1 calc R U . . .
C41 C 0.3165(11) 0.3047(10) 0.3677(8) 0.060(4) Uani 1 1 d . . . . .
C42 C 0.1895(13) 0.3737(9) 0.2973(8) 0.078(6) Uani 1 1 d . . . . .
H42A H 0.138739 0.360014 0.272504 0.117 Uiso 1 1 calc R U . . .
H42B H 0.245143 0.405614 0.263182 0.117 Uiso 1 1 calc R U . . .
H42C H 0.152947 0.399758 0.332113 0.117 Uiso 1 1 calc R U . . .
C43 C 0.6288(11) 0.1248(8) 0.4728(6) 0.045(3) Uani 1 1 d . . . . .
C44 C 0.7361(11) 0.1159(7) 0.4781(6) 0.038(3) Uani 1 1 d . . . . .
C45 C 0.8157(10) 0.1197(7) 0.4149(6) 0.034(3) Uani 1 1 d . . . . .
C46 C 0.7854(11) 0.1237(7) 0.3508(6) 0.041(3) Uani 1 1 d . . . . .
H46 H 0.838645 0.123707 0.309874 0.049 Uiso 1 1 calc R U . . .
C47 C 0.6757(12) 0.1277(8) 0.3450(6) 0.047(4) Uani 1 1 d . . . . .
C48 C 0.6433(11) 0.1303(8) 0.2750(7) 0.048(4) Uani 1 1 d . U . . .
C49 C 0.6495(18) 0.0542(9) 0.2640(9) 0.097(6) Uani 1 1 d . U . . .
H49A H 0.722640 0.037677 0.260218 0.146 Uiso 1 1 calc R U . . .
H49B H 0.626550 0.054097 0.220456 0.146 Uiso 1 1 calc R U . . .
H49C H 0.603536 0.020978 0.304135 0.146 Uiso 1 1 calc R U . . .
C50 C 0.5363(15) 0.1662(13) 0.2697(10) 0.112(8) Uani 1 1 d . U . . .
H50A H 0.479195 0.132780 0.300083 0.168 Uiso 1 1 calc R U . . .
H50B H 0.528135 0.176643 0.220627 0.168 Uiso 1 1 calc R U . . .
H50C H 0.533289 0.211977 0.284864 0.168 Uiso 1 1 calc R U . . .
C51 C 0.7273(16) 0.1792(12) 0.2099(8) 0.104(7) Uani 1 1 d . . . . .
H51A H 0.738538 0.226583 0.219554 0.156 Uiso 1 1 calc R U . . .
H51B H 0.700062 0.187177 0.166634 0.156 Uiso 1 1 calc R U . . .
H51C H 0.794527 0.153657 0.203792 0.156 Uiso 1 1 calc R U . . .
C52 C 0.7590(18) 0.0334(12) 0.5872(9) 0.106(7) Uani 1 1 d . . . . .
H52A H 0.818718 0.004446 0.568679 0.128 Uiso 1 1 calc R U . . .
H52B H 0.691622 0.008665 0.589323 0.128 Uiso 1 1 calc R U . . .
C53 C 0.766(2) 0.0440(17) 0.6641(14) 0.178(12) Uani 1 1 d . U . . .
H53A H 0.720145 0.084561 0.674993 0.213 Uiso 1 1 calc R U . . .
H53B H 0.839650 0.057028 0.663628 0.213 Uiso 1 1 calc R U . . .
C54 C 0.8336(17) -0.0399(14) 0.7688(9) 0.092(7) Uani 1 1 d . . . . .
C55 C 0.803(2) 0.0597(15) 0.8427(13) 0.184(14) Uani 1 1 d . . . . .
H55A H 0.760171 0.039748 0.890084 0.276 Uiso 1 1 calc R U . . .
H55B H 0.757795 0.086273 0.811840 0.276 Uiso 1 1 calc R U . . .
H55C H 0.857525 0.093293 0.845191 0.276 Uiso 1 1 calc R U . . .
C56 C 0.6011(10) 0.1286(7) 0.4074(6) 0.041(3) Uani 1 1 d . . . . .
H56 H 0.528510 0.131951 0.405534 0.049 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 O5 1.652(8) . ?
W1 O6 1.883(10) . ?
W1 O7 1.880(8) . ?
W1 O8 1.917(9) . ?
W1 O9 1.894(10) . ?
W1 O15 2.483(14) 2_665 ?
W1 O26 2.516(16) . ?
W2 O16 2.398(14) . ?
W2 O17 2.527(16) . ?
W2 O20 1.857(9) . ?
W2 O21 1.655(9) . ?
W2 O22 1.859(8) . ?
W2 O23 1.905(9) . ?
W2 O24 1.913(8) . ?
W3 O8 1.869(10) . ?
W3 O11 1.880(10) . ?
W3 O16 2.510(13) . ?
W3 O18 1.915(10) . ?
W3 O24 1.878(10) . ?
W3 O25 1.675(7) . ?
W3 O26 2.448(14) . ?
W4 O9 1.889(10) . ?
W4 O10 1.669(8) . ?
W4 O11 1.873(9) . ?
W4 O12 1.902(9) . ?
W4 O22 1.914(8) 2_665 ?
W4 O26 2.428(13) . ?
W5 O7 1.909(8) 2_665 ?
W5 O14 1.865(9) . ?
W5 O15 2.441(14) . ?
W5 O16 2.499(16) . ?
W5 O18 1.873(9) . ?
W5 O19 1.673(9) . ?
W5 O20 1.917(10) . ?
W6 O6 1.893(9) 2_665 ?
W6 O12 1.885(8) . ?
W6 O13 1.681(9) . ?
W6 O14 1.902(9) . ?
W6 O15 2.399(13) . ?
W6 O17 2.496(15) 2_665 ?
W6 O23 1.886(8) 2_665 ?
Ag1 S8 2.707(4) . ?
Ag1 N1 2.262(10) . ?
Ag1 N6 2.300(14) 1_655 ?
Ag1 N16 2.384(18) 2_756 ?
S1 C16 1.693(15) . ?
S1 C17 1.813(12) . ?
S2 C53 1.65(3) . ?
S2 C54 1.71(2) . ?
S3 C40 1.823(18) . ?
S3 C41 1.727(18) . ?
S4 C2 1.716(14) . ?
S4 C3 1.839(13) . ?
S5 C6 1.787(12) . ?
S5 C24 1.793(12) . ?
S6 C20 1.764(12) . ?
S6 C29 1.753(14) . ?
S7 C31 1.775(14) . ?
S7 C43 1.789(13) . ?
S8 C10 1.751(12) . ?
S8 C45 1.748(12) . ?
P1 O15 1.584(15) . ?
P1 O15 1.584(15) 2_665 ?
P1 O16 1.535(14) . ?
P1 O16 1.535(14) 2_665 ?
P1 O17 1.430(15) 2_665 ?
P1 O17 1.430(15) . ?
P1 O26 1.535(13) 2_665 ?
P1 O26 1.535(13) . ?
O1 C44 1.379(13) . ?
O1 C52 1.45(2) . ?
O2 C18 1.435(14) . ?
O2 C19 1.382(12) . ?
O3 C4 1.447(14) . ?
O3 C5 1.381(13) . ?
O4 C30 1.402(13) . ?
O4 C39 1.503(17) . ?
O15 O16 1.812(19) . ?
O15 O17 1.70(2) 2_665 ?
O16 O17 1.647(19) . ?
O16 O26 1.81(2) . ?
O17 O26 1.704(18) 2_665 ?
N1 N2 1.356(15) . ?
N1 C2 1.309(15) . ?
N2 N3 1.257(15) . ?
N3 N4 1.351(16) . ?
N4 C1 1.447(15) . ?
N4 C2 1.361(14) . ?
N5 N6 1.344(18) . ?
N5 C41 1.315(17) . ?
N5 C42 1.451(16) . ?
N6 N7 1.272(14) . ?
N7 N8 1.338(18) . ?
N8 C41 1.353(19) . ?
N9 H9 0.8600 . ?
N9 N10 1.41(2) . ?
N9 C16 1.36(2) . ?
N10 N11 1.24(3) . ?
N11 N12 1.325(18) . ?
N12 C15 1.410(18) . ?
N12 C16 1.324(18) . ?
N13 N14 1.33(2) . ?
N13 C54 1.30(2) . ?
N13 C55 1.51(2) . ?
N14 N15 1.25(2) . ?
N15 N16 1.37(2) . ?
N16 C54 1.31(2) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.480(15) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.383(16) . ?
C5 C10 1.407(18) . ?
C6 C7 1.389(14) . ?
C7 H7 0.9300 . ?
C7 C8 1.407(17) . ?
C8 C9 1.387(17) . ?
C8 C11 1.540(15) . ?
C9 H9A 0.9300 . ?
C9 C10 1.381(15) . ?
C11 C12 1.588(19) . ?
C11 C13 1.514(19) . ?
C11 C14 1.498(19) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.449(17) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.385(16) . ?
C19 C24 1.377(17) . ?
C20 C21 1.406(15) . ?
C21 H21 0.9300 . ?
C21 C22 1.410(17) . ?
C22 C23 1.367(16) . ?
C22 C25 1.514(15) . ?
C23 H23 0.9300 . ?
C23 C24 1.386(14) . ?
C25 C26 1.531(18) . ?
C25 C27 1.562(19) . ?
C25 C28 1.510(19) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.386(17) . ?
C29 C34 1.404(15) . ?
C30 C31 1.360(19) . ?
C31 C32 1.389(17) . ?
C32 H32 0.9300 . ?
C32 C33 1.410(18) . ?
C33 C34 1.377(19) . ?
C33 C35 1.592(17) . ?
C34 H34 0.9300 . ?
C35 C36 1.53(2) . ?
C35 C37 1.48(2) . ?
C35 C38 1.48(2) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 C40 1.438(19) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 C44 1.389(17) . ?
C43 C56 1.386(16) . ?
C44 C45 1.406(16) . ?
C45 C46 1.376(15) . ?
C46 H46 0.9300 . ?
C46 C47 1.420(18) . ?
C47 C48 1.505(16) . ?
C47 C56 1.379(17) . ?
C48 C49 1.47(2) . ?
C48 C50 1.503(19) . ?
C48 C51 1.58(2) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C52 C53 1.59(3) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56 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
O5 W1 O6 102.3(5) . . ?
O5 W1 O7 103.3(5) . . ?
O5 W1 O8 101.3(5) . . ?
O5 W1 O9 102.0(5) . . ?
O5 W1 O15 158.2(4) . 2_665 ?
O5 W1 O26 157.3(4) . . ?
O6 W1 O8 85.4(5) . . ?
O6 W1 O9 155.5(6) . . ?
O6 W1 O15 61.9(5) . 2_665 ?
O6 W1 O26 92.6(5) . . ?
O7 W1 O6 87.7(4) . . ?
O7 W1 O8 155.3(5) . . ?
O7 W1 O9 89.8(4) . . ?
O7 W1 O15 63.3(5) . 2_665 ?
O7 W1 O26 94.2(5) . . ?
O8 W1 O15 92.7(5) . 2_665 ?
O8 W1 O26 62.6(5) . . ?
O9 W1 O8 86.8(4) . . ?
O9 W1 O15 95.4(5) . 2_665 ?
O9 W1 O26 63.3(5) . . ?
O15 W1 O26 44.4(4) 2_665 . ?
O16 W2 O17 39.0(5) . . ?
O20 W2 O16 64.9(5) . . ?
O20 W2 O17 93.4(5) . . ?
O20 W2 O22 89.4(4) . . ?
O20 W2 O23 156.2(5) . . ?
O20 W2 O24 87.0(4) . . ?
O21 W2 O16 160.7(5) . . ?
O21 W2 O17 160.3(5) . . ?
O21 W2 O20 102.1(6) . . ?
O21 W2 O22 102.5(5) . . ?
O21 W2 O23 101.6(5) . . ?
O21 W2 O24 102.2(5) . . ?
O22 W2 O16 91.9(4) . . ?
O22 W2 O17 65.1(4) . . ?
O22 W2 O23 87.7(4) . . ?
O22 W2 O24 155.3(5) . . ?
O23 W2 O16 91.6(5) . . ?
O23 W2 O17 64.0(4) . . ?
O23 W2 O24 85.8(4) . . ?
O24 W2 O16 64.5(4) . . ?
O24 W2 O17 90.6(5) . . ?
O8 W3 O11 86.8(5) . . ?
O8 W3 O16 92.8(5) . . ?
O8 W3 O18 156.1(5) . . ?
O8 W3 O24 89.2(5) . . ?
O8 W3 O26 64.6(5) . . ?
O11 W3 O16 93.9(5) . . ?
O11 W3 O18 87.1(5) . . ?
O11 W3 O26 62.1(5) . . ?
O18 W3 O16 64.7(4) . . ?
O18 W3 O26 92.2(5) . . ?
O24 W3 O11 155.7(5) . . ?
O24 W3 O16 62.4(4) . . ?
O24 W3 O18 87.0(4) . . ?
O24 W3 O26 94.6(4) . . ?
O25 W3 O8 101.8(5) . . ?
O25 W3 O11 102.7(5) . . ?
O25 W3 O16 158.3(5) . . ?
O25 W3 O18 102.0(5) . . ?
O25 W3 O24 101.5(4) . . ?
O25 W3 O26 158.9(5) . . ?
O26 W3 O16 42.8(5) . . ?
O9 W4 O12 156.5(5) . . ?
O9 W4 O22 85.8(4) . 2_665 ?
O9 W4 O26 65.3(5) . . ?
O10 W4 O9 101.9(6) . . ?
O10 W4 O11 102.4(5) . . ?
O10 W4 O12 101.5(5) . . ?
O10 W4 O22 103.1(4) . 2_665 ?
O10 W4 O26 159.7(5) . . ?
O11 W4 O9 86.8(4) . . ?
O11 W4 O12 89.4(5) . . ?
O11 W4 O22 154.4(5) . 2_665 ?
O11 W4 O26 62.6(5) . . ?
O12 W4 O22 87.7(4) . 2_665 ?
O12 W4 O26 92.4(5) . . ?
O22 W4 O26 92.1(5) 2_665 . ?
O7 W5 O15 63.9(5) 2_665 . ?
O7 W5 O16 91.2(5) 2_665 . ?
O7 W5 O20 86.3(4) 2_665 . ?
O14 W5 O7 86.7(4) . 2_665 ?
O14 W5 O15 61.1(5) . . ?
O14 W5 O16 93.8(5) . . ?
O14 W5 O18 89.3(5) . . ?
O14 W5 O20 154.6(5) . . ?
O15 W5 O16 43.0(4) . . ?
O18 W5 O7 156.0(5) . 2_665 ?
O18 W5 O15 93.5(5) . . ?
O18 W5 O16 65.4(4) . . ?
O18 W5 O20 87.3(4) . . ?
O19 W5 O7 101.8(5) . 2_665 ?
O19 W5 O14 102.4(5) . . ?
O19 W5 O15 157.3(5) . . ?
O19 W5 O16 159.7(5) . . ?
O19 W5 O18 102.3(5) . . ?
O19 W5 O20 103.0(5) . . ?
O20 W5 O15 94.0(5) . . ?
O20 W5 O16 62.0(5) . . ?
O6 W6 O14 86.6(4) 2_665 . ?
O6 W6 O15 63.7(5) 2_665 . ?
O6 W6 O17 91.3(5) 2_665 2_665 ?
O12 W6 O6 155.9(5) . 2_665 ?
O12 W6 O14 86.2(4) . . ?
O12 W6 O15 92.8(5) . . ?
O12 W6 O17 65.9(4) . 2_665 ?
O12 W6 O23 88.0(4) . 2_665 ?
O13 W6 O6 103.4(5) . 2_665 ?
O13 W6 O12 100.6(4) . . ?
O13 W6 O14 102.2(5) . . ?
O13 W6 O15 158.5(6) . . ?
O13 W6 O17 160.8(6) . 2_665 ?
O13 W6 O23 102.6(5) . 2_665 ?
O14 W6 O15 61.6(5) . . ?
O14 W6 O17 90.7(6) . 2_665 ?
O15 W6 O17 40.5(5) . 2_665 ?
O23 W6 O6 89.0(4) 2_665 2_665 ?
O23 W6 O14 155.1(5) 2_665 . ?
O23 W6 O15 94.6(5) 2_665 . ?
O23 W6 O17 64.9(5) 2_665 2_665 ?
N1 Ag1 S8 127.4(3) . . ?
N1 Ag1 N6 120.2(5) . 1_655 ?
N1 Ag1 N16 92.6(6) . 2_756 ?
N6 Ag1 S8 98.0(3) 1_655 . ?
N6 Ag1 N16 126.0(6) 1_655 2_756 ?
N16 Ag1 S8 92.1(3) 2_756 . ?
C16 S1 C17 104.6(8) . . ?
C53 S2 C54 98.1(14) . . ?
C41 S3 C40 100.8(8) . . ?
C2 S4 C3 98.1(6) . . ?
C6 S5 C24 106.2(6) . . ?
C29 S6 C20 107.3(6) . . ?
C31 S7 C43 108.2(6) . . ?
C10 S8 Ag1 95.9(5) . . ?
C45 S8 Ag1 113.3(4) . . ?
C45 S8 C10 109.4(6) . . ?
O15 P1 O15 180.0 . 2_665 ?
O16 P1 O15 109.0(7) . 2_665 ?
O16 P1 O15 71.0(7) . . ?
O16 P1 O15 109.0(7) 2_665 . ?
O16 P1 O15 71.0(7) 2_665 2_665 ?
O16 P1 O16 180.0(14) . 2_665 ?
O16 P1 O26 107.8(8) . 2_665 ?
O16 P1 O26 72.2(8) 2_665 2_665 ?
O16 P1 O26 72.2(8) . . ?
O16 P1 O26 107.8(8) 2_665 . ?
O17 P1 O15 68.4(8) 2_665 . ?
O17 P1 O15 68.4(8) . 2_665 ?
O17 P1 O15 111.6(8) 2_665 2_665 ?
O17 P1 O15 111.6(8) . . ?
O17 P1 O16 67.4(8) 2_665 2_665 ?
O17 P1 O16 112.6(8) . 2_665 ?
O17 P1 O16 67.4(8) . . ?
O17 P1 O16 112.6(8) 2_665 . ?
O17 P1 O17 180.0(9) 2_665 . ?
O17 P1 O26 109.9(7) . . ?
O17 P1 O26 109.9(7) 2_665 2_665 ?
O17 P1 O26 70.1(7) . 2_665 ?
O17 P1 O26 70.1(7) 2_665 . ?
O26 P1 O15 105.5(7) . . ?
O26 P1 O15 74.5(7) . 2_665 ?
O26 P1 O15 105.5(7) 2_665 2_665 ?
O26 P1 O15 74.5(7) 2_665 . ?
O26 P1 O26 180.0 2_665 . ?
C44 O1 C52 113.7(11) . . ?
C19 O2 C18 113.6(9) . . ?
C5 O3 C4 119.9(9) . . ?
C30 O4 C39 107.8(9) . . ?
W1 O6 W6 140.5(7) . 2_665 ?
W1 O7 W5 139.9(6) . 2_665 ?
W3 O8 W1 140.5(6) . . ?
W4 O9 W1 139.4(7) . . ?
W4 O11 W3 141.4(7) . . ?
W6 O12 W4 139.2(5) . . ?
W5 O14 W6 142.0(7) . . ?
W5 O15 W1 92.6(5) . 2_665 ?
W6 O15 W1 93.4(5) . 2_665 ?
W6 O15 W5 94.7(5) . . ?
P1 O15 W1 120.3(6) . 2_665 ?
P1 O15 W5 123.4(7) . . ?
P1 O15 W6 124.3(8) . . ?
P1 O15 O16 53.2(7) . . ?
P1 O15 O17 51.5(7) . 2_665 ?
O16 O15 W1 126.0(8) . 2_665 ?
O16 O15 W5 70.2(7) . . ?
O16 O15 W6 137.2(8) . . ?
O17 O15 W1 131.2(8) 2_665 2_665 ?
O17 O15 W5 134.2(8) 2_665 . ?
O17 O15 W6 72.8(7) 2_665 . ?
O17 O15 O16 89.3(10) 2_665 . ?
W2 O16 W3 92.9(4) . . ?
W2 O16 W5 92.7(5) . . ?
W5 O16 W3 90.3(4) . . ?
P1 O16 W2 128.0(8) . . ?
P1 O16 W3 120.7(8) . . ?
P1 O16 W5 122.5(7) . . ?
P1 O16 O15 55.8(6) . . ?
P1 O16 O17 53.3(7) . . ?
P1 O16 O26 53.9(6) . . ?
O15 O16 W2 134.2(9) . . ?
O15 O16 W3 125.8(8) . . ?
O15 O16 W5 66.8(7) . . ?
O17 O16 W2 74.8(8) . . ?
O17 O16 W3 131.1(9) . . ?
O17 O16 W5 136.4(9) . . ?
O17 O16 O15 92.2(8) . . ?
O17 O16 O26 89.2(10) . . ?
O26 O16 W2 135.4(9) . . ?
O26 O16 W3 66.8(6) . . ?
O26 O16 W5 124.9(8) . . ?
O26 O16 O15 86.7(9) . . ?
W6 O17 W2 90.3(5) 2_665 . ?
P1 O17 W2 125.6(8) . . ?
P1 O17 W6 126.8(10) . 2_665 ?
P1 O17 O15 60.1(8) . 2_665 ?
P1 O17 O16 59.4(7) . . ?
P1 O17 O26 57.9(7) . 2_665 ?
O15 O17 W2 133.7(8) 2_665 . ?
O15 O17 W6 66.7(7) 2_665 2_665 ?
O15 O17 O26 93.8(11) 2_665 2_665 ?
O16 O17 W2 66.3(7) . . ?
O16 O17 W6 131.5(8) . 2_665 ?
O16 O17 O15 98.8(10) . 2_665 ?
O16 O17 O26 95.5(10) . 2_665 ?
O26 O17 W2 129.7(11) 2_665 . ?
O26 O17 W6 130.0(9) 2_665 2_665 ?
W5 O18 W3 139.3(5) . . ?
W2 O20 W5 139.8(7) . . ?
W2 O22 W4 140.9(6) . 2_665 ?
W6 O23 W2 139.8(5) 2_665 . ?
W3 O24 W2 139.6(6) . . ?
W3 O26 W1 91.7(4) . . ?
W4 O26 W1 91.6(5) . . ?
W4 O26 W3 93.2(4) . . ?
P1 O26 W1 120.8(8) . . ?
P1 O26 W3 124.4(9) . . ?
P1 O26 W4 125.7(7) . . ?
P1 O26 O16 53.9(6) . . ?
P1 O26 O17 52.0(6) . 2_665 ?
O16 O26 W1 128.6(8) . . ?
O16 O26 W3 70.5(6) . . ?
O16 O26 W4 135.6(9) . . ?
O17 O26 W1 130.3(10) 2_665 . ?
O17 O26 W3 135.2(10) 2_665 . ?
O17 O26 W4 73.7(7) 2_665 . ?
O17 O26 O16 89.2(10) 2_665 . ?
N2 N1 Ag1 118.4(9) . . ?
C2 N1 Ag1 135.3(9) . . ?
C2 N1 N2 106.1(11) . . ?
N3 N2 N1 112.5(12) . . ?
N2 N3 N4 105.8(10) . . ?
N3 N4 C1 120.1(11) . . ?
N3 N4 C2 108.7(11) . . ?
C2 N4 C1 131.1(12) . . ?
N6 N5 C42 125.6(13) . . ?
C41 N5 N6 108.3(12) . . ?
C41 N5 C42 126.1(16) . . ?
N5 N6 Ag1 128.5(9) . 1_455 ?
N7 N6 Ag1 124.1(11) . 1_455 ?
N7 N6 N5 107.3(12) . . ?
N6 N7 N8 111.3(13) . . ?
N7 N8 C41 105.1(12) . . ?
N10 N9 H9 127.2 . . ?
C16 N9 H9 127.2 . . ?
C16 N9 N10 105.6(18) . . ?
N11 N10 N9 108(2) . . ?
N10 N11 N12 110.9(17) . . ?
N11 N12 C15 119.7(13) . . ?
C16 N12 N11 109.4(15) . . ?
C16 N12 C15 130.7(14) . . ?
N14 N13 C55 115(2) . . ?
C54 N13 N14 110.8(18) . . ?
C54 N13 C55 134(2) . . ?
N15 N14 N13 106(2) . . ?
N14 N15 N16 111(2) . . ?
N15 N16 Ag1 121.4(17) . 2_756 ?
C54 N16 Ag1 132.4(19) . 2_756 ?
C54 N16 N15 105.4(19) . . ?
N4 C1 H1A 109.5 . . ?
N4 C1 H1B 109.5 . . ?
N4 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 S4 129.8(10) . . ?
N1 C2 N4 106.9(12) . . ?
N4 C2 S4 123.2(10) . . ?
S4 C3 H3A 109.2 . . ?
S4 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C4 C3 S4 111.9(10) . . ?
C4 C3 H3A 109.2 . . ?
C4 C3 H3B 109.2 . . ?
O3 C4 C3 108.1(10) . . ?
O3 C4 H4A 110.1 . . ?
O3 C4 H4B 110.1 . . ?
C3 C4 H4A 110.1 . . ?
C3 C4 H4B 110.1 . . ?
H4A C4 H4B 108.4 . . ?
O3 C5 C6 119.7(12) . . ?
O3 C5 C10 120.5(11) . . ?
C6 C5 C10 118.5(11) . . ?
C5 C6 S5 124.5(9) . . ?
C5 C6 C7 121.2(11) . . ?
C7 C6 S5 113.9(9) . . ?
C6 C7 H7 119.5 . . ?
C6 C7 C8 121.0(12) . . ?
C8 C7 H7 119.5 . . ?
C7 C8 C11 123.1(11) . . ?
C9 C8 C7 116.6(11) . . ?
C9 C8 C11 120.3(11) . . ?
C8 C9 H9A 118.5 . . ?
C10 C9 C8 123.1(12) . . ?
C10 C9 H9A 118.5 . . ?
C5 C10 S8 124.3(9) . . ?
C9 C10 S8 115.1(10) . . ?
C9 C10 C5 119.4(11) . . ?
C8 C11 C12 105.6(10) . . ?
C13 C11 C8 109.0(11) . . ?
C13 C11 C12 109.9(12) . . ?
C14 C11 C8 112.5(11) . . ?
C14 C11 C12 108.2(12) . . ?
C14 C11 C13 111.4(13) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N12 C15 H15A 109.5 . . ?
N12 C15 H15B 109.5 . . ?
N12 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N9 C16 S1 128.9(13) . . ?
N12 C16 S1 124.7(14) . . ?
N12 C16 N9 106.3(14) . . ?
S1 C17 H17A 109.0 . . ?
S1 C17 H17B 109.0 . . ?
H17A C17 H17B 107.8 . . ?
C18 C17 S1 113.0(11) . . ?
C18 C17 H17A 109.0 . . ?
C18 C17 H17B 109.0 . . ?
O2 C18 C17 104.6(12) . . ?
O2 C18 H18A 110.8 . . ?
O2 C18 H18B 110.8 . . ?
C17 C18 H18A 110.8 . . ?
C17 C18 H18B 110.8 . . ?
H18A C18 H18B 108.9 . . ?
O2 C19 C20 119.5(11) . . ?
C24 C19 O2 121.3(10) . . ?
C24 C19 C20 119.0(10) . . ?
C19 C20 S6 124.3(9) . . ?
C19 C20 C21 119.4(11) . . ?
C21 C20 S6 115.5(9) . . ?
C20 C21 H21 119.0 . . ?
C20 C21 C22 121.9(11) . . ?
C22 C21 H21 119.0 . . ?
C21 C22 C25 118.8(10) . . ?
C23 C22 C21 116.2(10) . . ?
C23 C22 C25 125.0(11) . . ?
C22 C23 H23 118.6 . . ?
C22 C23 C24 122.9(12) . . ?
C24 C23 H23 118.6 . . ?
C19 C24 S5 121.3(9) . . ?
C19 C24 C23 120.7(11) . . ?
C23 C24 S5 118.0(10) . . ?
C22 C25 C26 108.6(10) . . ?
C22 C25 C27 109.9(11) . . ?
C26 C25 C27 108.0(12) . . ?
C28 C25 C22 112.4(11) . . ?
C28 C25 C26 109.3(12) . . ?
C28 C25 C27 108.6(12) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 S6 124.1(9) . . ?
C30 C29 C34 118.8(12) . . ?
C34 C29 S6 115.6(10) . . ?
C29 C30 O4 120.6(12) . . ?
C31 C30 O4 117.7(12) . . ?
C31 C30 C29 121.6(11) . . ?
C30 C31 S7 127.6(10) . . ?
C30 C31 C32 119.3(13) . . ?
C32 C31 S7 112.6(12) . . ?
C31 C32 H32 119.6 . . ?
C31 C32 C33 120.8(14) . . ?
C33 C32 H32 119.6 . . ?
C32 C33 C35 123.0(13) . . ?
C34 C33 C32 118.4(12) . . ?
C34 C33 C35 118.5(12) . . ?
C29 C34 H34 119.6 . . ?
C33 C34 C29 120.8(13) . . ?
C33 C34 H34 119.6 . . ?
C36 C35 C33 108.0(13) . . ?
C37 C35 C33 109.9(14) . . ?
C37 C35 C36 107.1(16) . . ?
C37 C35 C38 109.7(15) . . ?
C38 C35 C33 112.4(13) . . ?
C38 C35 C36 109.5(17) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O4 C39 H39A 110.6 . . ?
O4 C39 H39B 110.6 . . ?
H39A C39 H39B 108.7 . . ?
C40 C39 O4 105.9(13) . . ?
C40 C39 H39A 110.6 . . ?
C40 C39 H39B 110.6 . . ?
S3 C40 H40A 110.0 . . ?
S3 C40 H40B 110.0 . . ?
C39 C40 S3 108.5(13) . . ?
C39 C40 H40A 110.0 . . ?
C39 C40 H40B 110.0 . . ?
H40A C40 H40B 108.4 . . ?
N5 C41 S3 124.4(13) . . ?
N5 C41 N8 108.0(15) . . ?
N8 C41 S3 127.6(11) . . ?
N5 C42 H42A 109.5 . . ?
N5 C42 H42B 109.5 . . ?
N5 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 S7 122.9(9) . . ?
C56 C43 S7 116.7(10) . . ?
C56 C43 C44 119.5(11) . . ?
O1 C44 C43 120.3(11) . . ?
O1 C44 C45 120.6(11) . . ?
C43 C44 C45 118.9(10) . . ?
C44 C45 S8 122.8(9) . . ?
C46 C45 S8 117.5(9) . . ?
C46 C45 C44 119.7(11) . . ?
C45 C46 H46 118.9 . . ?
C45 C46 C47 122.3(12) . . ?
C47 C46 H46 118.9 . . ?
C46 C47 C48 121.9(12) . . ?
C56 C47 C46 115.8(11) . . ?
C56 C47 C48 122.3(12) . . ?
C47 C48 C51 110.2(12) . . ?
C49 C48 C47 108.0(12) . . ?
C49 C48 C50 113.7(15) . . ?
C49 C48 C51 105.8(14) . . ?
C50 C48 C47 113.7(12) . . ?
C50 C48 C51 105.1(14) . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C48 C50 H50A 109.5 . . ?
C48 C50 H50B 109.5 . . ?
C48 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C48 C51 H51A 109.5 . . ?
C48 C51 H51B 109.5 . . ?
C48 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O1 C52 H52A 111.1 . . ?
O1 C52 H52B 111.1 . . ?
O1 C52 C53 103.1(17) . . ?
H52A C52 H52B 109.1 . . ?
C53 C52 H52A 111.1 . . ?
C53 C52 H52B 111.1 . . ?
S2 C53 H53A 109.6 . . ?
S2 C53 H53B 109.6 . . ?
C52 C53 S2 110(2) . . ?
C52 C53 H53A 109.6 . . ?
C52 C53 H53B 109.6 . . ?
H53A C53 H53B 108.1 . . ?
N13 C54 S2 131(2) . . ?
N13 C54 N16 107.2(19) . . ?
N16 C54 S2 122(2) . . ?
N13 C55 H55A 109.5 . . ?
N13 C55 H55B 109.5 . . ?
N13 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C43 C56 H56 118.3 . . ?
C47 C56 C43 123.4(12) . . ?
C47 C56 H56 118.3 . . ?

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
C1 H1B O13 0.96 2.56 3.204(19) 124.5 1_655 yes
C1 H1C O8 0.96 2.60 3.299(18) 129.7 . yes
C1 H1C O23 0.96 2.73 3.320(17) 120.6 . yes
C3 H3A O25 0.97 2.50 3.354(14) 146.7 . yes
C4 H4B O4 0.97 2.79 3.391(15) 121.1 . yes
C15 H15B O23 0.96 2.55 3.360(19) 142.6 1_556 yes
C34 H34 O10 0.93 2.39 3.270(17) 156.9 2_666 yes
C39 H39A N8 0.97 2.62 3.24(2) 122.4 . yes
C55 H55C N9 0.96 2.46 3.32(4) 149.7 . yes

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
W1 O15 O16 W2 -8.5(17) 2_665 . . . ?
W1 O15 O16 W3 -150.7(7) 2_665 . . . ?
W1 O15 O16 W5 -78.3(9) 2_665 . . . ?
W1 O15 O16 P1 103.7(9) 2_665 . . . ?
W1 O15 O16 O17 62.3(12) 2_665 . . . ?
W1 O15 O16 O26 151.3(9) 2_665 . . . ?
W2 O16 O17 W6 -67.6(12) . . . 2_665 ?
W2 O16 O17 P1 178.5(8) . . . . ?
W2 O16 O17 O15 -134.1(8) . . . 2_665 ?
W2 O16 O17 O26 131.2(10) . . . 2_665 ?
W2 O16 O26 W1 6.9(16) . . . . ?
W2 O16 O26 W3 -69.1(9) . . . . ?
W2 O16 O26 W4 -143.0(9) . . . . ?
W2 O16 O26 P1 110.2(11) . . . . ?
W2 O16 O26 O17 151.6(10) . . . 2_665 ?
W3 O16 O17 W2 80.3(10) . . . . ?
W3 O16 O17 W6 13(2) . . . 2_665 ?
W3 O16 O17 P1 -101.2(12) . . . . ?
W3 O16 O17 O15 -53.8(14) . . . 2_665 ?
W3 O16 O17 O26 -148.5(11) . . . 2_665 ?
W3 O16 O26 W1 76.0(8) . . . . ?
W3 O16 O26 W4 -73.9(9) . . . . ?
W3 O16 O26 P1 179.3(7) . . . . ?
W3 O16 O26 O17 -139.3(8) . . . 2_665 ?
W5 O15 O16 W2 69.8(10) . . . . ?
W5 O15 O16 W3 -72.4(9) . . . . ?
W5 O15 O16 P1 -178.1(6) . . . . ?
W5 O15 O16 O17 140.6(9) . . . . ?
W5 O15 O16 O26 -130.4(7) . . . . ?
W5 O16 O17 W2 -77.6(11) . . . . ?
W5 O16 O17 W6 -145.1(9) . . . 2_665 ?
W5 O16 O17 P1 100.9(12) . . . . ?
W5 O16 O17 O15 148.3(11) . . . 2_665 ?
W5 O16 O17 O26 53.6(16) . . . 2_665 ?
W5 O16 O26 W1 149.0(7) . . . . ?
W5 O16 O26 W3 73.0(7) . . . . ?
W5 O16 O26 W4 -0.9(15) . . . . ?
W5 O16 O26 P1 -107.7(8) . . . . ?
W5 O16 O26 O17 -66.3(10) . . . 2_665 ?
W6 O15 O16 W2 144.7(9) . . . . ?
W6 O15 O16 W3 3(2) . . . . ?
W6 O15 O16 W5 74.9(12) . . . . ?
W6 O15 O16 P1 -103.1(13) . . . . ?
W6 O15 O16 O17 -144.5(13) . . . . ?
W6 O15 O16 O26 -55.5(14) . . . . ?
Ag1 S8 C10 C5 50.0(11) . . . . ?
Ag1 S8 C10 C9 -117.2(9) . . . . ?
Ag1 S8 C45 C44 -148.4(9) . . . . ?
Ag1 S8 C45 C46 34.7(11) . . . . ?
Ag1 N1 N2 N3 -175.9(10) . . . . ?
Ag1 N1 C2 S4 -1(2) . . . . ?
Ag1 N1 C2 N4 173.7(11) . . . . ?
Ag1 N6 N7 N8 178.6(10) 1_455 . . . ?
Ag1 N16 C54 S2 -6(3) 2_756 . . . ?
Ag1 N16 C54 N13 170.1(13) 2_756 . . . ?
S1 C17 C18 O2 -175.8(10) . . . . ?
S4 C3 C4 O3 -61.3(12) . . . . ?
S5 C6 C7 C8 -171.9(10) . . . . ?
S6 C20 C21 C22 172.4(10) . . . . ?
S6 C29 C30 O4 6.7(17) . . . . ?
S6 C29 C30 C31 -171.3(10) . . . . ?
S6 C29 C34 C33 170.4(11) . . . . ?
S7 C31 C32 C33 -170.3(11) . . . . ?
S7 C43 C44 O1 -8.8(19) . . . . ?
S7 C43 C44 C45 176.3(10) . . . . ?
S7 C43 C56 C47 -173.0(11) . . . . ?
S8 C45 C46 C47 -180.0(10) . . . . ?
P1 O15 O16 W2 -112.1(12) . . . . ?
P1 O15 O16 W3 105.7(10) . . . . ?
P1 O15 O16 W5 178.1(6) . . . . ?
P1 O15 O16 O17 -41.4(8) . . . . ?
P1 O15 O16 O26 47.6(6) . . . . ?
P1 O16 O17 W2 -178.5(8) . . . . ?
P1 O16 O17 W6 113.9(14) . . . 2_665 ?
P1 O16 O17 O15 47.4(8) . . . 2_665 ?
P1 O16 O17 O26 -47.3(8) . . . 2_665 ?
P1 O16 O26 W1 -103.3(9) . . . . ?
P1 O16 O26 W3 -179.3(7) . . . . ?
P1 O16 O26 W4 106.8(10) . . . . ?
P1 O16 O26 O17 41.4(6) . . . 2_665 ?
O1 C44 C45 S8 1.1(18) . . . . ?
O1 C44 C45 C46 177.9(11) . . . . ?
O1 C52 C53 S2 164.4(16) . . . . ?
O2 C19 C20 S6 13.7(18) . . . . ?
O2 C19 C20 C21 -177.2(10) . . . . ?
O2 C19 C24 S5 -5.3(17) . . . . ?
O2 C19 C24 C23 176.6(11) . . . . ?
O3 C5 C6 S5 8.0(17) . . . . ?
O3 C5 C6 C7 -164.8(11) . . . . ?
O3 C5 C10 S8 -2.0(18) . . . . ?
O3 C5 C10 C9 164.8(11) . . . . ?
O4 C30 C31 S7 -3.9(18) . . . . ?
O4 C30 C31 C32 -174.8(11) . . . . ?
O4 C39 C40 S3 -174.9(11) . . . . ?
O5 W1 O6 W6 -155.7(10) . . . 2_665 ?
O5 W1 O7 W5 154.5(10) . . . 2_665 ?
O5 W1 O9 W4 -154.6(9) . . . . ?
O6 W1 O7 W5 52.4(10) . . . 2_665 ?
O6 W1 O9 W4 17.8(16) . . . . ?
O6 W6 O12 W4 30.1(16) 2_665 . . . ?
O7 W1 O6 W6 -52.5(11) . . . 2_665 ?
O7 W1 O9 W4 101.8(9) . . . . ?
O7 W5 O14 W6 -53.2(11) 2_665 . . . ?
O7 W5 O18 W3 -20.9(19) 2_665 . . . ?
O8 W1 O6 W6 103.8(11) . . . 2_665 ?
O8 W1 O7 W5 -21.3(18) . . . 2_665 ?
O8 W1 O9 W4 -53.7(9) . . . . ?
O8 W3 O11 W4 53.8(12) . . . . ?
O8 W3 O24 W2 -102.3(9) . . . . ?
O9 W1 O6 W6 31.9(17) . . . 2_665 ?
O9 W1 O7 W5 -103.2(10) . . . 2_665 ?
O9 W4 O11 W3 -54.6(12) . . . . ?
O10 W4 O9 W1 156.1(9) . . . . ?
O10 W4 O11 W3 -156.1(11) . . . . ?
O11 W3 O8 W1 -51.8(11) . . . . ?
O11 W3 O24 W2 -21.8(18) . . . . ?
O11 W4 O9 W1 54.0(9) . . . . ?
O12 W4 O9 W1 -27.1(16) . . . . ?
O12 W4 O11 W3 102.2(11) . . . . ?
O13 W6 O12 W4 -155.4(8) . . . . ?
O14 W5 O18 W3 -101.1(10) . . . . ?
O14 W6 O12 W4 102.9(9) . . . . ?
O15 W1 O6 W6 8.2(9) 2_665 . . 2_665 ?
O15 W1 O7 W5 -7.1(9) 2_665 . . 2_665 ?
O15 W1 O9 W4 38.7(10) 2_665 . . . ?
O15 W5 O14 W6 8.7(9) . . . . ?
O15 W5 O18 W3 -40.1(11) . . . . ?
O15 W6 O12 W4 41.6(9) . . . . ?
O15 P1 O16 W2 -57.4(11) 2_665 . . . ?
O15 P1 O16 W2 122.6(11) . . . . ?
O15 P1 O16 W3 -114.8(9) . . . . ?
O15 P1 O16 W3 65.2(9) 2_665 . . . ?
O15 P1 O16 W5 -2.1(7) . . . . ?
O15 P1 O16 W5 177.9(7) 2_665 . . . ?
O15 P1 O16 O15 179.998(0) 2_665 . . . ?
O15 P1 O16 O17 -55.5(9) 2_665 . . . ?
O15 P1 O16 O17 124.5(9) . . . . ?
O15 P1 O16 O26 65.9(8) 2_665 . . . ?
O15 P1 O16 O26 -114.1(8) . . . . ?
O15 P1 O17 W2 124.7(11) 2_665 . . . ?
O15 P1 O17 W2 -55.3(11) . . . . ?
O15 P1 O17 W6 1.8(7) 2_665 . . 2_665 ?
O15 P1 O17 W6 -178.2(7) . . . 2_665 ?
O15 P1 O17 O15 180.002(1) . . . 2_665 ?
O15 P1 O17 O16 -57.0(8) . . . . ?
O15 P1 O17 O16 123.0(8) 2_665 . . . ?
O15 P1 O17 O26 -116.8(9) 2_665 . . 2_665 ?
O15 P1 O17 O26 63.2(9) . . . 2_665 ?
O15 P1 O26 W1 -178.8(8) . . . . ?
O15 P1 O26 W1 1.2(8) 2_665 . . . ?
O15 P1 O26 W3 -115.6(10) 2_665 . . . ?
O15 P1 O26 W3 64.4(10) . . . . ?
O15 P1 O26 W4 119.3(12) 2_665 . . . ?
O15 P1 O26 W4 -60.7(12) . . . . ?
O15 P1 O26 O16 63.6(8) . . . . ?
O15 P1 O26 O16 -116.4(8) 2_665 . . . ?
O15 P1 O26 O17 -59.5(9) . . . 2_665 ?
O15 P1 O26 O17 120.5(9) 2_665 . . 2_665 ?
O15 O16 O17 W2 -135.5(9) . . . . ?
O15 O16 O17 W6 157.0(12) . . . 2_665 ?
O15 O16 O17 P1 43.0(7) . . . . ?
O15 O16 O17 O15 90.4(10) . . . 2_665 ?
O15 O16 O17 O26 -4.3(11) . . . 2_665 ?
O15 O16 O26 W1 -152.4(8) . . . . ?
O15 O16 O26 W3 131.5(7) . . . . ?
O15 O16 O26 W4 57.7(11) . . . . ?
O15 O16 O26 P1 -49.1(6) . . . . ?
O15 O16 O26 O17 -7.8(9) . . . 2_665 ?
O16 W2 O20 W5 -9.0(7) . . . . ?
O16 W2 O22 W4 40.1(10) . . . 2_665 ?
O16 W3 O8 W1 42.0(11) . . . . ?
O16 W3 O11 W4 -38.8(12) . . . . ?
O16 W3 O24 W2 -8.7(8) . . . . ?
O16 W5 O14 W6 37.8(11) . . . . ?
O16 W5 O18 W3 -6.6(9) . . . . ?
O16 P1 O15 W1 -114.4(10) . . . 2_665 ?
O16 P1 O15 W1 65.6(10) 2_665 . . 2_665 ?
O16 P1 O15 W5 -177.8(7) 2_665 . . . ?
O16 P1 O15 W5 2.2(7) . . . . ?
O16 P1 O15 W6 -53.2(9) 2_665 . . . ?
O16 P1 O15 W6 126.8(9) . . . . ?
O16 P1 O15 O16 180.000(1) 2_665 . . . ?
O16 P1 O15 O17 125.0(8) . . . 2_665 ?
O16 P1 O15 O17 -55.0(8) 2_665 . . 2_665 ?
O16 P1 O17 W2 -178.3(8) 2_665 . . . ?
O16 P1 O17 W2 1.7(8) . . . . ?
O16 P1 O17 W6 -121.2(10) . . . 2_665 ?
O16 P1 O17 W6 58.8(10) 2_665 . . 2_665 ?
O16 P1 O17 O15 57.0(8) 2_665 . . 2_665 ?
O16 P1 O17 O15 -123.0(8) . . . 2_665 ?
O16 P1 O17 O16 180.000(2) 2_665 . . . ?
O16 P1 O17 O26 120.2(10) . . . 2_665 ?
O16 P1 O17 O26 -59.8(10) 2_665 . . 2_665 ?
O16 P1 O26 W1 117.6(10) . . . . ?
O16 P1 O26 W1 -62.4(10) 2_665 . . . ?
O16 P1 O26 W3 -179.2(8) 2_665 . . . ?
O16 P1 O26 W3 0.8(8) . . . . ?
O16 P1 O26 W4 55.7(12) 2_665 . . . ?
O16 P1 O26 W4 -124.3(12) . . . . ?
O16 P1 O26 O16 180.000(2) 2_665 . . . ?
O16 P1 O26 O17 56.9(10) 2_665 . . 2_665 ?
O16 P1 O26 O17 -123.1(10) . . . 2_665 ?
O17 W2 O20 W5 -36.3(9) . . . . ?
O17 W2 O22 W4 10.9(8) . . . 2_665 ?
O17 W6 O12 W4 10.4(8) 2_665 . . . ?
O17 P1 O15 W1 120.6(10) 2_665 . . 2_665 ?
O17 P1 O15 W1 -59.4(10) . . . 2_665 ?
O17 P1 O15 W5 -122.8(9) 2_665 . . . ?
O17 P1 O15 W5 57.2(9) . . . . ?
O17 P1 O15 W6 -178.2(7) . . . . ?
O17 P1 O15 W6 1.8(7) 2_665 . . . ?
O17 P1 O15 O16 -125.0(8) 2_665 . . . ?
O17 P1 O15 O16 55.0(8) . . . . ?
O17 P1 O15 O17 179.999(2) . . . 2_665 ?
O17 P1 O16 W2 -1.8(9) . . . . ?
O17 P1 O16 W2 178.1(9) 2_665 . . . ?
O17 P1 O16 W3 -59.3(11) 2_665 . . . ?
O17 P1 O16 W3 120.7(11) . . . . ?
O17 P1 O16 W5 53.4(11) 2_665 . . . ?
O17 P1 O16 W5 -126.6(11) . . . . ?
O17 P1 O16 O15 55.5(9) 2_665 . . . ?
O17 P1 O16 O15 -124.5(9) . . . . ?
O17 P1 O16 O17 179.998(2) 2_665 . . . ?
O17 P1 O16 O26 -58.6(9) 2_665 . . . ?
O17 P1 O16 O26 121.4(9) . . . . ?
O17 P1 O26 W1 -119.3(11) 2_665 . . . ?
O17 P1 O26 W1 60.7(11) . . . . ?
O17 P1 O26 W3 123.8(12) 2_665 . . . ?
O17 P1 O26 W3 -56.2(12) . . . . ?
O17 P1 O26 W4 178.8(10) . . . . ?
O17 P1 O26 W4 -1.2(10) 2_665 . . . ?
O17 P1 O26 O16 123.1(10) 2_665 . . . ?
O17 P1 O26 O16 -56.9(10) . . . . ?
O17 P1 O26 O17 180.003(1) . . . 2_665 ?
O17 O15 O16 W2 -152.0(11) 2_665 . . . ?
O17 O15 O16 W3 65.8(11) 2_665 . . . ?
O17 O15 O16 W5 138.2(7) 2_665 . . . ?
O17 O15 O16 P1 -39.9(6) 2_665 . . . ?
O17 O15 O16 O17 -81.2(10) 2_665 . . . ?
O17 O15 O16 O26 7.8(8) 2_665 . . . ?
O17 O16 O26 W1 -60.2(10) . . . . ?
O17 O16 O26 W3 -136.2(8) . . . . ?
O17 O16 O26 W4 149.9(10) . . . . ?
O17 O16 O26 P1 43.1(6) . . . . ?
O17 O16 O26 O17 84.5(10) . . . 2_665 ?
O18 W3 O8 W1 24(2) . . . . ?
O18 W3 O11 W4 -103.2(11) . . . . ?
O18 W3 O24 W2 54.2(9) . . . . ?
O18 W5 O14 W6 103.1(11) . . . . ?
O19 W5 O14 W6 -154.5(10) . . . . ?
O19 W5 O18 W3 156.4(10) . . . . ?
O20 W2 O22 W4 105.0(10) . . . 2_665 ?
O20 W5 O14 W6 21.0(17) . . . . ?
O20 W5 O18 W3 53.7(10) . . . . ?
O21 W2 O20 W5 155.9(8) . . . . ?
O21 W2 O22 W4 -152.8(9) . . . 2_665 ?
O22 W2 O20 W5 -101.4(9) . . . . ?
O22 W4 O9 W1 -101.4(9) 2_665 . . . ?
O22 W4 O11 W3 18.8(19) 2_665 . . . ?
O23 W2 O20 W5 -18.4(15) . . . . ?
O23 W2 O22 W4 -51.3(9) . . . 2_665 ?
O23 W6 O12 W4 -52.9(9) 2_665 . . . ?
O24 W2 O20 W5 54.1(9) . . . . ?
O24 W2 O22 W4 23.5(16) . . . 2_665 ?
O24 W3 O8 W1 104.3(11) . . . . ?
O24 W3 O11 W4 -27(2) . . . . ?
O25 W3 O8 W1 -154.1(10) . . . . ?
O25 W3 O11 W4 155.2(11) . . . . ?
O25 W3 O24 W2 155.8(9) . . . . ?
O26 W1 O6 W6 41.6(11) . . . 2_665 ?
O26 W1 O7 W5 -40.0(10) . . . 2_665 ?
O26 W1 O9 W4 7.1(8) . . . . ?
O26 W3 O8 W1 8.8(10) . . . . ?
O26 W3 O11 W4 -9.1(10) . . . . ?
O26 W3 O24 W2 -37.8(10) . . . . ?
O26 W4 O9 W1 -7.2(8) . . . . ?
O26 W4 O11 W3 9.1(10) . . . . ?
O26 P1 O15 W1 1.2(8) 2_665 . . 2_665 ?
O26 P1 O15 W1 -178.8(8) . . . 2_665 ?
O26 P1 O15 W5 117.8(9) 2_665 . . . ?
O26 P1 O15 W5 -62.2(9) . . . . ?
O26 P1 O15 W6 62.4(9) . . . . ?
O26 P1 O15 W6 -117.6(9) 2_665 . . . ?
O26 P1 O15 O16 -64.4(8) . . . . ?
O26 P1 O15 O16 115.6(8) 2_665 . . . ?
O26 P1 O15 O17 60.6(8) . . . 2_665 ?
O26 P1 O15 O17 -119.4(8) 2_665 . . 2_665 ?
O26 P1 O16 W2 -123.3(11) . . . . ?
O26 P1 O16 W2 56.7(11) 2_665 . . . ?
O26 P1 O16 W3 179.3(7) 2_665 . . . ?
O26 P1 O16 W3 -0.7(7) . . . . ?
O26 P1 O16 W5 112.0(10) . . . . ?
O26 P1 O16 W5 -68.0(10) 2_665 . . . ?
O26 P1 O16 O15 -65.9(8) 2_665 . . . ?
O26 P1 O16 O15 114.1(8) . . . . ?
O26 P1 O16 O17 -121.4(9) . . . . ?
O26 P1 O16 O17 58.6(9) 2_665 . . . ?
O26 P1 O16 O26 180.000(2) 2_665 . . . ?
O26 P1 O17 W2 61.5(12) . . . . ?
O26 P1 O17 W2 -118.5(12) 2_665 . . . ?
O26 P1 O17 W6 118.6(11) 2_665 . . 2_665 ?
O26 P1 O17 W6 -61.4(11) . . . 2_665 ?
O26 P1 O17 O15 -63.2(9) . . . 2_665 ?
O26 P1 O17 O15 116.8(9) 2_665 . . 2_665 ?
O26 P1 O17 O16 -120.2(10) 2_665 . . . ?
O26 P1 O17 O16 59.8(10) . . . . ?
O26 P1 O17 O26 180.002(1) . . . 2_665 ?
O26 O16 O17 W2 137.9(7) . . . . ?
O26 O16 O17 W6 70.3(13) . . . 2_665 ?
O26 O16 O17 P1 -43.6(7) . . . . ?
O26 O16 O17 O15 3.8(9) . . . 2_665 ?
O26 O16 O17 O26 -90.9(11) . . . 2_665 ?
N1 N2 N3 N4 1.1(18) . . . . ?
N2 N1 C2 S4 -176.4(12) . . . . ?
N2 N1 C2 N4 -1.4(16) . . . . ?
N2 N3 N4 C1 -179.4(13) . . . . ?
N2 N3 N4 C2 -2.0(16) . . . . ?
N3 N4 C2 S4 177.5(10) . . . . ?
N3 N4 C2 N1 2.1(16) . . . . ?
N5 N6 N7 N8 0.4(18) . . . . ?
N6 N5 C41 S3 179.0(11) . . . . ?
N6 N5 C41 N8 -0.6(16) . . . . ?
N6 N7 N8 C41 -0.8(18) . . . . ?
N7 N8 C41 S3 -178.8(12) . . . . ?
N7 N8 C41 N5 0.8(17) . . . . ?
N9 N10 N11 N12 2(3) . . . . ?
N10 N9 C16 S1 -179.9(17) . . . . ?
N10 N9 C16 N12 3(2) . . . . ?
N10 N11 N12 C15 -175(2) . . . . ?
N10 N11 N12 C16 0(3) . . . . ?
N11 N12 C16 S1 -179.0(17) . . . . ?
N11 N12 C16 N9 -2(2) . . . . ?
N13 N14 N15 N16 -3(3) . . . . ?
N14 N13 C54 S2 174.1(17) . . . . ?
N14 N13 C54 N16 -2(3) . . . . ?
N14 N15 N16 Ag1 -169.6(14) . . . 2_756 ?
N14 N15 N16 C54 2(3) . . . . ?
N15 N16 C54 S2 -176.2(15) . . . . ?
N15 N16 C54 N13 0(2) . . . . ?
C1 N4 C2 S4 -5(2) . . . . ?
C1 N4 C2 N1 179.2(14) . . . . ?
C2 S4 C3 C4 131.4(10) . . . . ?
C2 N1 N2 N3 0.2(18) . . . . ?
C3 S4 C2 N1 -53.7(15) . . . . ?
C3 S4 C2 N4 132.0(12) . . . . ?
C4 O3 C5 C6 -106.1(14) . . . . ?
C4 O3 C5 C10 86.8(15) . . . . ?
C5 O3 C4 C3 -148.9(11) . . . . ?
C5 C6 C7 C8 1.6(18) . . . . ?
C6 S5 C24 C19 55.8(12) . . . . ?
C6 S5 C24 C23 -126.1(10) . . . . ?
C6 C5 C10 S8 -169.2(9) . . . . ?
C6 C5 C10 C9 -2.4(18) . . . . ?
C6 C7 C8 C9 -5.7(18) . . . . ?
C6 C7 C8 C11 173.7(11) . . . . ?
C7 C8 C9 C10 6.0(18) . . . . ?
C7 C8 C11 C12 -125.3(13) . . . . ?
C7 C8 C11 C13 116.7(14) . . . . ?
C7 C8 C11 C14 -7.5(19) . . . . ?
C8 C9 C10 S8 166.0(10) . . . . ?
C8 C9 C10 C5 -2.0(19) . . . . ?
C9 C8 C11 C12 54.1(15) . . . . ?
C9 C8 C11 C13 -63.9(16) . . . . ?
C9 C8 C11 C14 171.9(13) . . . . ?
C10 S8 C45 C44 -42.7(13) . . . . ?
C10 S8 C45 C46 140.4(10) . . . . ?
C10 C5 C6 S5 175.4(10) . . . . ?
C10 C5 C6 C7 2.6(18) . . . . ?
C11 C8 C9 C10 -173.5(11) . . . . ?
C15 N12 C16 S1 -5(3) . . . . ?
C15 N12 C16 N9 172.4(18) . . . . ?
C16 S1 C17 C18 -130.0(13) . . . . ?
C16 N9 N10 N11 -3(3) . . . . ?
C17 S1 C16 N9 -7(2) . . . . ?
C17 S1 C16 N12 169.5(15) . . . . ?
C18 O2 C19 C20 -94.7(15) . . . . ?
C18 O2 C19 C24 91.5(14) . . . . ?
C19 O2 C18 C17 173.6(11) . . . . ?
C19 C20 C21 C22 2.3(19) . . . . ?
C20 S6 C29 C30 -56.9(12) . . . . ?
C20 S6 C29 C34 137.5(10) . . . . ?
C20 C19 C24 S5 -179.2(10) . . . . ?
C20 C19 C24 C23 2.8(19) . . . . ?
C20 C21 C22 C23 -1.0(18) . . . . ?
C20 C21 C22 C25 -179.9(11) . . . . ?
C21 C22 C23 C24 0.5(19) . . . . ?
C21 C22 C25 C26 61.0(16) . . . . ?
C21 C22 C25 C27 -56.9(15) . . . . ?
C21 C22 C25 C28 -177.9(13) . . . . ?
C22 C23 C24 S5 -179.6(10) . . . . ?
C22 C23 C24 C19 -1.4(19) . . . . ?
C23 C22 C25 C26 -117.8(14) . . . . ?
C23 C22 C25 C27 124.3(14) . . . . ?
C23 C22 C25 C28 3.3(18) . . . . ?
C24 S5 C6 C5 50.5(12) . . . . ?
C24 S5 C6 C7 -136.3(9) . . . . ?
C24 C19 C20 S6 -172.3(10) . . . . ?
C24 C19 C20 C21 -3.2(19) . . . . ?
C25 C22 C23 C24 179.3(11) . . . . ?
C29 S6 C20 C19 -55.6(13) . . . . ?
C29 S6 C20 C21 134.9(10) . . . . ?
C29 C30 C31 S7 174.1(10) . . . . ?
C29 C30 C31 C32 3(2) . . . . ?
C30 O4 C39 C40 177.1(14) . . . . ?
C30 C29 C34 C33 4(2) . . . . ?
C30 C31 C32 C33 2(2) . . . . ?
C31 S7 C43 C44 58.7(14) . . . . ?
C31 S7 C43 C56 -132.0(11) . . . . ?
C31 C32 C33 C34 -4(2) . . . . ?
C31 C32 C33 C35 173.1(13) . . . . ?
C32 C33 C34 C29 1(2) . . . . ?
C32 C33 C35 C36 -117.4(17) . . . . ?
C32 C33 C35 C37 126.1(17) . . . . ?
C32 C33 C35 C38 4(2) . . . . ?
C34 C29 C30 O4 171.9(11) . . . . ?
C34 C29 C30 C31 -6.2(19) . . . . ?
C34 C33 C35 C36 60(2) . . . . ?
C34 C33 C35 C37 -57(2) . . . . ?
C34 C33 C35 C38 -179.4(15) . . . . ?
C35 C33 C34 C29 -176.2(12) . . . . ?
C39 O4 C30 C29 -87.7(14) . . . . ?
C39 O4 C30 C31 90.4(15) . . . . ?
C40 S3 C41 N5 -162.4(13) . . . . ?
C40 S3 C41 N8 17.2(16) . . . . ?
C41 S3 C40 C39 -82.7(15) . . . . ?
C41 N5 N6 Ag1 -178.0(10) . . . 1_455 ?
C41 N5 N6 N7 0.1(16) . . . . ?
C42 N5 N6 Ag1 2(2) . . . 1_455 ?
C42 N5 N6 N7 -179.8(13) . . . . ?
C42 N5 C41 S3 -1(2) . . . . ?
C42 N5 C41 N8 179.3(13) . . . . ?
C43 S7 C31 C30 48.1(14) . . . . ?
C43 S7 C31 C32 -140.5(10) . . . . ?
C43 C44 C45 S8 176.0(10) . . . . ?
C43 C44 C45 C46 -7.2(19) . . . . ?
C44 O1 C52 C53 -166.3(15) . . . . ?
C44 C43 C56 C47 -3(2) . . . . ?
C44 C45 C46 C47 3(2) . . . . ?
C45 S8 C10 C5 -67.2(13) . . . . ?
C45 S8 C10 C9 125.5(10) . . . . ?
C45 C46 C47 C48 -178.6(12) . . . . ?
C45 C46 C47 C56 1(2) . . . . ?
C46 C47 C48 C49 77.4(18) . . . . ?
C46 C47 C48 C50 -155.5(16) . . . . ?
C46 C47 C48 C51 -37.8(19) . . . . ?
C46 C47 C56 C43 -1(2) . . . . ?
C48 C47 C56 C43 178.7(13) . . . . ?
C52 O1 C44 C43 87.5(17) . . . . ?
C52 O1 C44 C45 -97.7(16) . . . . ?
C53 S2 C54 N13 76(2) . . . . ?
C53 S2 C54 N16 -109(2) . . . . ?
C54 S2 C53 C52 131.3(19) . . . . ?
C54 N13 N14 N15 3(3) . . . . ?
C55 N13 N14 N15 180(2) . . . . ?
C55 N13 C54 S2 -2(4) . . . . ?
C55 N13 C54 N16 -178(2) . . . . ?
C56 C43 C44 O1 -177.8(12) . . . . ?
C56 C43 C44 C45 7(2) . . . . ?
C56 C47 C48 C49 -102.2(17) . . . . ?
C56 C47 C48 C50 25(2) . . . . ?
C56 C47 C48 C51 142.7(15) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  
;
A solvent mask was calculated and 269 electrons were 
found in a volume of 545Å³ in 1 void per unit cell. 
This is consistent with the presence of 
1[C2H5OH] and 1[CH3CN] per Asymmetric Unit 
which account for 96 electrons 
per unit cell.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.012 0.000 0.000 545 269 '2 C4H9NO'

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
