#------------------------------------------------------------------------------
#$Date: 2019-11-17 13:27:15 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/93/1549390.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1549390
loop_
_publ_author_name
'Nag, Abhijit'
'Chakraborty, Papri'
'Bodiuzzaman, Mohammad'
'Ahuja, Tripti'
'Antharjanam, Sudhadevi'
'Pradeep, Thalappil'
_publ_section_title
;
 Polymorphism of
 Ag₂₉(BDT)₁₂(TPP)₄³⁻ cluster:
 interactions of secondary ligands and their effect on solid state
 luminescence.
;
_journal_issue                   21
_journal_name_full               Nanoscale
_journal_page_first              9851
_journal_page_last               9855
_journal_paper_doi               10.1039/c8nr02629g
_journal_volume                  10
_journal_year                    2018
_chemical_formula_moiety
'C144 H108 Ag29 P4 S24, 3(C3 H7 N O), 6(C H4 O), H2O'
_chemical_formula_sum            'C159 H108 Ag29 N3 O10 P4 S24'
_chemical_formula_weight         6242.03
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-12-19 deposited with the CCDC.
2018-05-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   27.4634(6)
_cell_length_b                   27.4634(6)
_cell_length_c                   46.6552(16)
_cell_measurement_reflns_used    9995
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      45.69
_cell_measurement_theta_min      2.65
_cell_volume                     30474.7(14)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3(Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker axs kappa apex3 CMOS Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_diffrn_radiation_source         'micro-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.3629
_diffrn_reflns_av_unetI/netI     0.1027
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            173079
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        46.668
_diffrn_reflns_theta_max         46.668
_diffrn_reflns_theta_min         3.218
_exptl_absorpt_coefficient_mu    24.818
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.3859
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_description       block
_exptl_crystal_F_000             17820
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.910
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     662
_refine_ls_number_reflns         5939
_refine_ls_number_restraints     210
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1609
_refine_ls_R_factor_gt           0.0768
_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)+(0.0612P)²+2070.8027P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1520
_refine_ls_wR_factor_ref         0.1907
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3221
_reflns_number_total             5939
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8nr02629g2.cif
_cod_data_source_block           AG29R3
_cod_depositor_comments          'Adding full bibliography for 1549390.cif.'
_cod_original_cell_volume        30474.7(17)
_cod_database_code               1549390
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.118
_shelx_estimated_absorpt_t_max   0.190
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
C1 C 0.4205(12) 0.1229(11) 0.6161(8) 0.096(8) Uani 1 1 d . U .
C2 C 0.4778(12) 0.1533(10) 0.6215(8) 0.091(8) Uani 1 1 d . U .
H2 H 0.5027 0.1751 0.6072 0.110 Uiso 1 1 calc R U .
C3 C 0.4982(12) 0.1509(11) 0.6493(8) 0.090(8) Uani 1 1 d . U .
C4 C 0.4601(13) 0.1183(11) 0.6699(8) 0.106(9) Uani 1 1 d . U .
H4 H 0.4727 0.1153 0.6879 0.127 Uiso 1 1 calc R U .
C5 C 0.3848(13) 0.0931(11) 0.6384(8) 0.094(9) Uani 1 1 d . U .
H5 H 0.3462 0.0743 0.6353 0.113 Uiso 1 1 calc R U .
C6 C 0.4044(14) 0.0906(14) 0.6643(9) 0.122(11) Uani 1 1 d . U .
H6 H 0.3792 0.0694 0.6787 0.146 Uiso 1 1 calc R U .
C7 C 0.4629(11) 0.2716(11) 0.6423(8) 0.089(8) Uani 1 1 d . U .
C8 C 0.4089(13) 0.2403(13) 0.6535(8) 0.107(10) Uani 1 1 d . U .
H8 H 0.3775 0.2304 0.6421 0.129 Uiso 1 1 calc R U .
C9 C 0.4031(13) 0.2250(13) 0.6802(8) 0.103(10) Uani 1 1 d . U .
H9 H 0.3668 0.2028 0.6871 0.123 Uiso 1 1 calc R U .
C10 C 0.4473(12) 0.2395(12) 0.6992(8) 0.108(10) Uani 1 1 d . U .
H10 H 0.4405 0.2270 0.7181 0.129 Uiso 1 1 calc R U .
C11 C 0.5030(12) 0.2736(11) 0.6890(8) 0.088(8) Uani 1 1 d . U .
C12 C 0.5095(13) 0.2879(12) 0.6605(8) 0.095(9) Uani 1 1 d . U .
H12 H 0.5456 0.3089 0.6530 0.114 Uiso 1 1 calc R U .
C13 C 0.4442(12) 0.3328(13) 0.5250(7) 0.094(8) Uani 1 1 d . U .
C14 C 0.4941(12) 0.3635(12) 0.5416(7) 0.092(8) Uani 1 1 d . U .
H14 H 0.5099 0.3447 0.5508 0.111 Uiso 1 1 calc R U .
C15 C 0.5191(13) 0.4219(14) 0.5441(7) 0.102(9) Uani 1 1 d . U .
C16 C 0.4993(15) 0.4513(15) 0.5289(7) 0.112(10) Uani 1 1 d . U .
H16 H 0.5184 0.4904 0.5284 0.134 Uiso 1 1 calc R U .
C17 C 0.4507(16) 0.4202(15) 0.5150(8) 0.125(12) Uani 1 1 d . U .
H17 H 0.4345 0.4396 0.5068 0.150 Uiso 1 1 calc R U .
C18 C 0.4212(14) 0.3614(14) 0.5113(7) 0.115(10) Uani 1 1 d . U .
H18 H 0.3886 0.3431 0.5003 0.138 Uiso 1 1 calc R U .
C19 C 0.5763(14) 0.1887(12) 0.4870(7) 0.084(10) Uani 1 1 d . . .
H19 H 0.5795 0.2150 0.5005 0.101 Uiso 1 1 calc R U .
C20 C 0.5213(13) 0.1434(15) 0.4794(8) 0.086(11) Uani 1 1 d . . .
C21 C 0.5209(18) 0.1036(14) 0.4607(9) 0.105(13) Uani 1 1 d . . .
H21 H 0.4866 0.0720 0.4563 0.126 Uiso 1 1 calc R U .
C22 C 0.569(2) 0.1089(16) 0.4483(8) 0.119(14) Uani 1 1 d . . .
H22 H 0.5659 0.0832 0.4345 0.143 Uiso 1 1 calc R U .
C23 C 0.6206(16) 0.1524(16) 0.4562(7) 0.091(10) Uani 1 1 d . . .
H23 H 0.6532 0.1541 0.4493 0.110 Uiso 1 1 calc R U .
C24 C 0.6242(13) 0.1940(11) 0.4747(8) 0.074(10) Uani 1 1 d . . .
C25 C 0.4026(12) 0.4082(11) 0.6224(8) 0.079(8) Uani 1 1 d . U .
C26 C 0.3567(12) 0.3934(11) 0.6394(7) 0.089(8) Uani 1 1 d . U .
H26 H 0.3625 0.3996 0.6591 0.107 Uiso 1 1 calc R U .
C27 C 0.3008(14) 0.3690(13) 0.6290(8) 0.113(11) Uani 1 1 d . U .
H27 H 0.2695 0.3578 0.6407 0.136 Uiso 1 1 calc R U .
C28 C 0.2982(14) 0.3637(11) 0.5990(8) 0.094(8) Uani 1 1 d . U .
H28 H 0.2628 0.3501 0.5908 0.113 Uiso 1 1 calc R U .
C29 C 0.3409(14) 0.3761(14) 0.5806(8) 0.117(11) Uani 1 1 d . U .
H29 H 0.3351 0.3700 0.5610 0.140 Uiso 1 1 calc R U .
C30 C 0.3938(13) 0.3984(12) 0.5927(8) 0.096(9) Uani 1 1 d . U .
H30 H 0.4244 0.4072 0.5809 0.115 Uiso 1 1 calc R U .
C31 C 0.4984(17) 0.5171(13) 0.6296(7) 0.084(10) Uani 1 1 d . . .
C32 C 0.4628(14) 0.5387(13) 0.6291(6) 0.087(11) Uani 1 1 d . . .
H32 H 0.4243 0.5145 0.6313 0.104 Uiso 1 1 calc R U .
C33 C 0.4821(19) 0.5941(18) 0.6254(7) 0.106(12) Uani 1 1 d . . .
H33 H 0.4575 0.6081 0.6254 0.127 Uiso 1 1 calc R U .
C34 C 0.537(2) 0.6286(14) 0.6218(7) 0.104(12) Uani 1 1 d . . .
H34 H 0.5512 0.6671 0.6208 0.124 Uiso 1 1 calc R U .
C35 C 0.5735(15) 0.609(2) 0.6196(9) 0.137(17) Uani 1 1 d . . .
H35 H 0.6112 0.6327 0.6151 0.164 Uiso 1 1 calc R U .
C36 C 0.5527(16) 0.554(2) 0.6241(9) 0.123(15) Uani 1 1 d . . .
H36 H 0.5775 0.5403 0.6233 0.148 Uiso 1 1 calc R U .
C37 C 0.4676(12) 0.4340(14) 0.6723(8) 0.126(11) Uani 1 1 d D U .
C38 C 0.4518(14) 0.3812(15) 0.6837(9) 0.19(2) Uani 1 1 d D U .
H38 H 0.4449 0.3513 0.6718 0.226 Uiso 1 1 calc R U .
C39 C 0.4468(19) 0.374(2) 0.7132(9) 0.27(3) Uani 1 1 d D U .
H39 H 0.4361 0.3392 0.7210 0.329 Uiso 1 1 calc R U .
C40 C 0.458(3) 0.4188(19) 0.7315(11) 0.51(8) Uani 1 1 d D U .
H40 H 0.4545 0.4135 0.7512 0.607 Uiso 1 1 calc R U .
C41 C 0.473(3) 0.471(2) 0.7196(10) 0.38(6) Uani 1 1 d D U .
H41 H 0.4805 0.5015 0.7315 0.460 Uiso 1 1 calc R U .
C42 C 0.4770(18) 0.4783(17) 0.6901(9) 0.20(2) Uani 1 1 d D U .
H42 H 0.4861 0.5129 0.6821 0.242 Uiso 1 1 calc R U .
C43 C 0.7127(11) 0.3110(11) 0.3972(7) 0.055(8) Uani 1 1 d . . .
C44 C 0.7641(15) 0.3291(12) 0.4084(7) 0.088(10) Uani 1 1 d . . .
H44 H 0.7742 0.3505 0.4251 0.105 Uiso 1 1 calc R U .
C45 C 0.8012(14) 0.3173(16) 0.3962(10) 0.123(15) Uani 1 1 d . . .
H45 H 0.8369 0.3316 0.4040 0.147 Uiso 1 1 calc R U .
C46 C 0.7862(19) 0.2837(16) 0.3718(10) 0.115(14) Uani 1 1 d . . .
H46 H 0.8111 0.2736 0.3641 0.139 Uiso 1 1 calc R U .
C47 C 0.7355(17) 0.2655(12) 0.3592(8) 0.104(13) Uani 1 1 d . . .
H47 H 0.7255 0.2437 0.3426 0.125 Uiso 1 1 calc R U .
C48 C 0.6999(12) 0.2802(14) 0.3715(8) 0.086(10) Uani 1 1 d . . .
H48 H 0.6658 0.2695 0.3625 0.103 Uiso 1 1 calc R U .
P1 P 0.4736(3) 0.4426(3) 0.6344(2) 0.080(3) Uani 1 1 d . . .
P2 P 0.6667 0.3333 0.4129(3) 0.059(4) Uani 1 3 d S T P
S1 S 0.3931(3) 0.1232(3) 0.5818(2) 0.118(4) Uani 1 1 d . . .
S2 S 0.5720(3) 0.1812(3) 0.6543(2) 0.099(3) Uani 1 1 d . . .
S3 S 0.5774(4) 0.4578(3) 0.5669(2) 0.114(4) Uani 1 1 d . . .
S4 S 0.4092(3) 0.2571(4) 0.5233(2) 0.125(4) Uani 1 1 d . . .
S5 S 0.4596(3) 0.1360(3) 0.4929(2) 0.101(3) Uani 1 1 d . . .
S6 S 0.6898(3) 0.2559(3) 0.4812(2) 0.088(3) Uani 1 1 d . . .
S7 S 0.5602(3) 0.2950(3) 0.7125(2) 0.109(3) Uani 1 1 d . . .
S8 S 0.4708(3) 0.2972(3) 0.6070(2) 0.103(3) Uani 1 1 d . . .
Ag1 Ag 0.43268(9) 0.22222(10) 0.56732(7) 0.1140(11) Uani 1 1 d . . .
Ag2 Ag 0.53339(10) 0.40526(10) 0.61449(7) 0.1122(10) Uani 1 1 d . . .
Ag3 Ag 0.6667 0.3333 0.46603(9) 0.0718(12) Uani 1 3 d S T P
Ag4 Ag 0.6667 0.3333 0.57742(9) 0.0770(13) Uani 1 3 d S T P
Ag5 Ag 0.63456(9) 0.41237(8) 0.56546(6) 0.0964(9) Uani 1 1 d . . .
Ag6 Ag 0.55449(8) 0.29770(9) 0.58798(6) 0.0975(9) Uani 1 1 d . . .
Ag7 Ag 0.68904(8) 0.28462(8) 0.53087(6) 0.0899(9) Uani 1 1 d . . .
Ag8 Ag 0.61924(8) 0.26633(8) 0.62545(6) 0.0982(9) Uani 1 1 d . . .
Ag9 Ag 0.47687(9) 0.23147(9) 0.50485(6) 0.1076(10) Uani 1 1 d . . .
Ag10 Ag 0.46531(9) 0.13538(10) 0.54551(7) 0.1120(10) Uani 1 1 d . . .
Ag11 Ag 0.61830(10) 0.25775(10) 0.69276(6) 0.1072(10) Uani 1 1 d . . .
C49 C 0.218(3) 0.200(3) 0.5791(15) 0.15(3) Uiso 0.5 1 d D U P
C50 C 0.3057(17) 0.2317(16) 0.5883(9) 0.048(13) Uiso 0.5 1 d D U P
C51 C 0.261(3) 0.1561(17) 0.5627(11) 0.18(2) Uiso 0.5 1 d D U P
N1 N 0.268(2) 0.2124(15) 0.5632(10) 0.146(17) Uiso 0.5 1 d D U P
O2 O 0.256(3) 0.143(2) 0.5374(11) 0.23(3) Uiso 0.5 1 d D U P
O1 O 0.2370(16) 0.0655(16) 0.5010(8) 0.229(14) Uiso 1 1 d D U .
C52 C 0.202(3) 0.021(3) 0.5209(15) 0.36(3) Uiso 1 1 d D U .
O3 O 0.306(3) 0.059(3) 0.5157(15) 0.46(3) Uiso 1 1 d D U .
C53 C 0.312(5) 0.023(4) 0.535(2) 0.50(4) Uiso 1 1 d D U .
N2 N 0.452(3) 0.491(3) 0.7852(16) 0.19(3) Uiso 0.5 1 d D U P
C54 C 0.507(3) 0.514(4) 0.797(2) 0.19(3) Uiso 0.5 1 d D U P
C55 C 0.453(3) 0.540(3) 0.7710(17) 0.16(3) Uiso 0.5 1 d D . P
C56 C 0.399(3) 0.438(3) 0.7825(17) 0.16(3) Uiso 0.5 1 d D . P
O5 O 0.518(4) 0.478(4) 0.804(2) 0.34(5) Uiso 0.5 1 d D . P
O6 O 0.6667 0.3333 0.787(3) 0.66(11) Uiso 1 3 d S . P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C5 C1 C2 118(3) . .
C5 C1 S1 120(3) . .
C2 C1 S1 121(3) . .
C1 C2 C3 119(3) . .
C1 C2 H2 120.3 . .
C3 C2 H2 120.3 . .
C4 C3 C2 118(3) . .
C4 C3 S2 122(3) . .
C2 C3 S2 119(3) . .
C6 C4 C3 121(4) . .
C6 C4 H4 119.6 . .
C3 C4 H4 119.6 . .
C6 C5 C1 122(4) . .
C6 C5 H5 119.1 . .
C1 C5 H5 119.1 . .
C5 C6 C4 121(4) . .
C5 C6 H6 119.5 . .
C4 C6 H6 119.5 . .
C8 C7 C12 119(3) . .
C8 C7 S8 119(3) . .
C12 C7 S8 122(2) . .
C9 C8 C7 119(4) . .
C9 C8 H8 120.7 . .
C7 C8 H8 120.7 . .
C8 C9 C10 125(4) . .
C8 C9 H9 117.6 . .
C10 C9 H9 117.6 . .
C9 C10 C11 118(3) . .
C9 C10 H10 120.9 . .
C11 C10 H10 120.9 . .
C12 C11 C10 117(3) . .
C12 C11 S7 123(3) . .
C10 C11 S7 120(3) . .
C11 C12 C7 122(3) . .
C11 C12 H12 119.2 . .
C7 C12 H12 119.2 . .
C18 C13 C14 119(3) . .
C18 C13 S4 120(3) . .
C14 C13 S4 120(2) . .
C15 C14 C13 120(3) . .
C15 C14 H14 120.1 . .
C13 C14 H14 120.1 . .
C16 C15 C14 121(4) . .
C16 C15 S3 120(3) . .
C14 C15 S3 119(3) . .
C17 C16 C15 116(4) . .
C17 C16 H16 122.1 . .
C15 C16 H16 122.1 . .
C16 C17 C18 128(4) . .
C16 C17 H17 116.2 . .
C18 C17 H17 116.2 . .
C13 C18 C17 115(4) . .
C13 C18 H18 122.3 . .
C17 C18 H18 122.3 . .
C24 C19 C20 122(3) . .
C24 C19 H19 119.2 . .
C20 C19 H19 119.2 . .
C21 C20 C19 115(3) . .
C21 C20 S5 121(3) . .
C19 C20 S5 124(3) . .
C22 C21 C20 123(4) . .
C22 C21 H21 118.4 . .
C20 C21 H21 118.4 . .
C21 C22 C23 120(4) . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C22 C23 C24 120(3) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
C19 C24 C23 120(3) . .
C19 C24 S6 119(3) . .
C23 C24 S6 121(3) . .
C26 C25 C30 118(3) . .
C26 C25 P1 125(3) . .
C30 C25 P1 117(3) . .
C25 C26 C27 124(3) . .
C25 C26 H26 118.0 . .
C27 C26 H26 118.0 . .
C28 C27 C26 112(3) . .
C28 C27 H27 123.9 . .
C26 C27 H27 123.9 . .
C29 C28 C27 128(4) . .
C29 C28 H28 116.1 . .
C27 C28 H28 116.1 . .
C28 C29 C30 116(4) . .
C28 C29 H29 121.9 . .
C30 C29 H29 121.9 . .
C29 C30 C25 122(3) . .
C29 C30 H30 119.2 . .
C25 C30 H30 119.2 . .
C36 C31 C32 116(3) . .
C36 C31 P1 121(3) . .
C32 C31 P1 123(3) . .
C33 C32 C31 122(3) . .
C33 C32 H32 119.2 . .
C31 C32 H32 119.2 . .
C34 C33 C32 119(3) . .
C34 C33 H33 120.6 . .
C32 C33 H33 120.6 . .
C33 C34 C35 122(4) . .
C33 C34 H34 119.1 . .
C35 C34 H34 119.1 . .
C36 C35 C34 117(4) . .
C36 C35 H35 121.5 . .
C34 C35 H35 121.4 . .
C35 C36 C31 125(3) . .
C35 C36 H36 117.7 . .
C31 C36 H36 117.8 . .
C42 C37 C38 121(4) . .
C42 C37 P1 121(3) . .
C38 C37 P1 118(3) . .
C39 C38 C37 119(4) . .
C39 C38 H38 120.7 . .
C37 C38 H38 120.7 . .
C38 C39 C40 122(5) . .
C38 C39 H39 119.2 . .
C40 C39 H39 119.2 . .
C39 C40 C41 119(5) . .
C39 C40 H40 120.5 . .
C41 C40 H40 120.5 . .
C42 C41 C40 120(5) . .
C42 C41 H41 120.1 . .
C40 C41 H41 120.1 . .
C37 C42 C41 120(5) . .
C37 C42 H42 119.8 . .
C41 C42 H42 119.8 . .
C44 C43 C48 117(3) . .
C44 C43 P2 120(3) . .
C48 C43 P2 123(2) . .
C45 C44 C43 122(3) . .
C45 C44 H44 119.0 . .
C43 C44 H44 119.0 . .
C44 C45 C46 120(3) . .
C44 C45 H45 120.0 . .
C46 C45 H45 120.0 . .
C47 C46 C45 121(3) . .
C47 C46 H46 119.7 . .
C45 C46 H46 119.7 . .
C46 C47 C48 118(3) . .
C46 C47 H47 121.1 . .
C48 C47 H47 121.1 . .
C47 C48 C43 123(3) . .
C47 C48 H48 118.7 . .
C43 C48 H48 118.7 . .
C37 P1 C25 103.8(15) . .
C37 P1 C31 103.3(16) . .
C25 P1 C31 104.6(15) . .
C37 P1 Ag2 110.5(11) . .
C25 P1 Ag2 115.7(10) . .
C31 P1 Ag2 117.4(13) . .
C43 P2 C43 104.8(13) 3_665 .
C43 P2 C43 104.8(12) 3_665 2_655
C43 P2 C43 104.8(13) . 2_655
C43 P2 Ag3 113.8(11) 3_665 .
C43 P2 Ag3 113.8(11) . .
C43 P2 Ag3 113.8(11) 2_655 .
C1 S1 Ag1 107.4(10) . .
C1 S1 Ag10 107.6(11) . .
Ag1 S1 Ag10 77.6(3) . .
C3 S2 Ag8 108.2(10) . .
C3 S2 Ag11 117.1(11) . .
Ag8 S2 Ag11 78.0(2) . .
C3 S2 Ag2 100.4(11) . 2_655
Ag8 S2 Ag2 89.0(3) . 2_655
Ag11 S2 Ag2 142.5(3) . 2_655
C15 S3 Ag5 109.6(11) . .
C15 S3 Ag10 118.6(11) . 3_665
Ag5 S3 Ag10 77.5(2) . 3_665
C15 S3 Ag2 99.6(10) . .
Ag5 S3 Ag2 88.8(3) . .
Ag10 S3 Ag2 141.8(5) 3_665 .
C13 S4 Ag9 107.7(9) . .
C13 S4 Ag1 108.4(12) . .
Ag9 S4 Ag1 78.4(2) . .
C20 S5 Ag10 107.6(13) . .
C20 S5 Ag9 107.5(13) . .
Ag10 S5 Ag9 78.7(3) . .
C24 S6 Ag7 107.5(13) . .
C24 S6 Ag9 118.3(9) . 2_655
Ag7 S6 Ag9 76.9(3) . 2_655
C24 S6 Ag3 100.9(9) . .
Ag7 S6 Ag3 87.1(2) . .
Ag9 S6 Ag3 140.5(3) 2_655 .
C11 S7 Ag11 106.6(11) . .
C11 S7 Ag11 107.5(11) . 3_665
Ag11 S7 Ag11 79.6(3) . 3_665
C7 S8 Ag6 105.6(9) . .
C7 S8 Ag1 115.8(10) . .
Ag6 S8 Ag1 75.5(3) . .
C7 S8 Ag2 102.0(10) . .
Ag6 S8 Ag2 87.7(2) . .
Ag1 S8 Ag2 141.4(4) . .
S1 Ag1 S4 126.6(3) . .
S1 Ag1 S8 117.7(3) . .
S4 Ag1 S8 111.5(3) . .
S1 Ag1 Ag6 112.8(2) . .
S4 Ag1 Ag6 113.8(2) . .
S8 Ag1 Ag6 50.60(17) . .
S1 Ag1 Ag10 51.7(2) . .
S4 Ag1 Ag10 104.8(3) . .
S8 Ag1 Ag10 133.80(19) . .
Ag6 Ag1 Ag10 89.20(8) . .
S1 Ag1 Ag9 106.5(3) . .
S4 Ag1 Ag9 50.3(2) . .
S8 Ag1 Ag9 128.5(2) . .
Ag6 Ag1 Ag9 89.43(9) . .
Ag10 Ag1 Ag9 60.45(9) . .
P1 Ag2 S3 107.9(3) . .
P1 Ag2 S8 108.8(3) . .
S3 Ag2 S8 112.2(3) . .
P1 Ag2 S2 104.1(3) . 3_665
S3 Ag2 S2 112.4(3) . 3_665
S8 Ag2 S2 111.1(3) . 3_665
P2 Ag3 S6 105.8(2) . 2_655
P2 Ag3 S6 105.8(2) . 3_665
S6 Ag3 S6 112.92(19) 2_655 3_665
P2 Ag3 S6 105.8(2) . .
S6 Ag3 S6 112.92(19) 2_655 .
S6 Ag3 S6 112.92(19) 3_665 .
Ag6 Ag4 Ag6 116.91(7) 2_655 .
Ag6 Ag4 Ag6 116.91(7) 2_655 3_665
Ag6 Ag4 Ag6 116.91(6) . 3_665
Ag6 Ag4 Ag7 116.57(11) 2_655 3_665
Ag6 Ag4 Ag7 61.72(8) . 3_665
Ag6 Ag4 Ag7 116.35(12) 3_665 3_665
Ag6 Ag4 Ag7 116.35(12) 2_655 2_655
Ag6 Ag4 Ag7 116.57(11) . 2_655
Ag6 Ag4 Ag7 61.72(8) 3_665 2_655
Ag7 Ag4 Ag7 65.29(12) 3_665 2_655
Ag6 Ag4 Ag7 61.72(8) 2_655 .
Ag6 Ag4 Ag7 116.35(12) . .
Ag6 Ag4 Ag7 116.57(11) 3_665 .
Ag7 Ag4 Ag7 65.29(12) 3_665 .
Ag7 Ag4 Ag7 65.29(12) 2_655 .
Ag6 Ag4 Ag8 65.18(9) 2_655 .
Ag6 Ag4 Ag8 63.39(9) . .
Ag6 Ag4 Ag8 115.92(17) 3_665 .
Ag7 Ag4 Ag8 116.09(6) 3_665 .
Ag7 Ag4 Ag8 177.50(13) 2_655 .
Ag7 Ag4 Ag8 117.10(7) . .
Ag6 Ag4 Ag8 63.39(9) 2_655 2_655
Ag6 Ag4 Ag8 115.92(17) . 2_655
Ag6 Ag4 Ag8 65.18(9) 3_665 2_655
Ag7 Ag4 Ag8 177.50(13) 3_665 2_655
Ag7 Ag4 Ag8 117.10(7) 2_655 2_655
Ag7 Ag4 Ag8 116.09(6) . 2_655
Ag8 Ag4 Ag8 61.49(12) . 2_655
Ag6 Ag4 Ag8 115.92(17) 2_655 3_665
Ag6 Ag4 Ag8 65.18(9) . 3_665
Ag6 Ag4 Ag8 63.39(9) 3_665 3_665
Ag7 Ag4 Ag8 117.10(7) 3_665 3_665
Ag7 Ag4 Ag8 116.09(6) 2_655 3_665
Ag7 Ag4 Ag8 177.50(13) . 3_665
Ag8 Ag4 Ag8 61.49(12) . 3_665
Ag8 Ag4 Ag8 61.49(12) 2_655 3_665
Ag6 Ag4 Ag5 177.77(14) 2_655 .
Ag6 Ag4 Ag5 65.19(6) . .
Ag6 Ag4 Ag5 61.81(7) 3_665 .
Ag7 Ag4 Ag5 63.44(9) 3_665 .
Ag7 Ag4 Ag5 61.50(8) 2_655 .
Ag7 Ag4 Ag5 116.92(17) . .
Ag8 Ag4 Ag5 116.95(12) . .
Ag8 Ag4 Ag5 116.71(12) 2_655 .
Ag8 Ag4 Ag5 65.41(8) 3_665 .
Ag6 Ag4 Ag5 61.81(7) 2_655 3_665
Ag6 Ag4 Ag5 177.77(14) . 3_665
Ag6 Ag4 Ag5 65.19(6) 3_665 3_665
Ag7 Ag4 Ag5 116.92(17) 3_665 3_665
Ag7 Ag4 Ag5 63.44(9) 2_655 3_665
Ag7 Ag4 Ag5 61.50(9) . 3_665
Ag8 Ag4 Ag5 116.71(12) . 3_665
Ag8 Ag4 Ag5 65.41(9) 2_655 3_665
Ag8 Ag4 Ag5 116.95(12) 3_665 3_665
Ag5 Ag4 Ag5 116.07(7) . 3_665
Ag6 Ag4 Ag5 65.19(6) 2_655 2_655
Ag6 Ag4 Ag5 61.81(7) . 2_655
Ag6 Ag4 Ag5 177.77(14) 3_665 2_655
Ag7 Ag4 Ag5 61.50(9) 3_665 2_655
Ag7 Ag4 Ag5 116.92(17) 2_655 2_655
Ag7 Ag4 Ag5 63.44(9) . 2_655
Ag8 Ag4 Ag5 65.41(9) . 2_655
Ag8 Ag4 Ag5 116.95(12) 2_655 2_655
Ag8 Ag4 Ag5 116.71(12) 3_665 2_655
Ag5 Ag4 Ag5 116.07(7) . 2_655
Ag5 Ag4 Ag5 116.07(7) 3_665 2_655
S3 Ag5 Ag4 158.2(2) . .
S3 Ag5 Ag7 141.3(2) . 2_655
Ag4 Ag5 Ag7 59.23(9) . 2_655
S3 Ag5 Ag6 131.6(3) . 3_665
Ag4 Ag5 Ag6 58.98(7) . 3_665
Ag7 Ag5 Ag6 60.01(8) 2_655 3_665
S3 Ag5 Ag7 118.6(3) . 3_665
Ag4 Ag5 Ag7 58.26(9) . 3_665
Ag7 Ag5 Ag7 62.65(10) 2_655 3_665
Ag6 Ag5 Ag7 109.54(8) 3_665 3_665
S3 Ag5 Ag6 101.9(2) . .
Ag4 Ag5 Ag6 57.30(6) . .
Ag7 Ag5 Ag6 108.09(9) 2_655 .
Ag6 Ag5 Ag6 107.95(11) 3_665 .
Ag7 Ag5 Ag6 57.55(8) 3_665 .
S3 Ag5 Ag8 108.6(3) . 3_665
Ag4 Ag5 Ag8 57.28(11) . 3_665
Ag7 Ag5 Ag8 107.51(9) 2_655 3_665
Ag6 Ag5 Ag8 59.69(8) 3_665 3_665
Ag7 Ag5 Ag8 106.26(9) 3_665 3_665
Ag6 Ag5 Ag8 59.85(8) . 3_665
S3 Ag5 Ag10 52.89(19) . 3_665
Ag4 Ag5 Ag10 147.88(9) . 3_665
Ag7 Ag5 Ag10 94.43(9) 2_655 3_665
Ag6 Ag5 Ag10 92.99(9) 3_665 3_665
Ag7 Ag5 Ag10 128.85(12) 3_665 3_665
Ag6 Ag5 Ag10 154.74(9) . 3_665
Ag8 Ag5 Ag10 124.59(11) 3_665 3_665
S8 Ag6 Ag4 159.7(2) . .
S8 Ag6 Ag7 130.5(3) . 3_665
Ag4 Ag6 Ag7 59.24(11) . 3_665
S8 Ag6 Ag5 140.1(2) . 2_655
Ag4 Ag6 Ag5 59.21(6) . 2_655
Ag7 Ag6 Ag5 59.82(8) 3_665 2_655
S8 Ag6 Ag8 119.3(3) . .
Ag4 Ag6 Ag8 58.40(10) . .
Ag7 Ag6 Ag8 109.76(9) 3_665 .
Ag5 Ag6 Ag8 62.74(8) 2_655 .
S8 Ag6 Ag8 103.3(2) . 3_665
Ag4 Ag6 Ag8 57.50(9) . 3_665
Ag7 Ag6 Ag8 108.58(9) 3_665 3_665
Ag5 Ag6 Ag8 108.17(9) 2_655 3_665
Ag8 Ag6 Ag8 57.48(10) . 3_665
S8 Ag6 Ag5 109.04(19) . .
Ag4 Ag6 Ag5 57.52(6) . .
Ag7 Ag6 Ag5 60.01(8) 3_665 .
Ag5 Ag6 Ag5 107.62(11) 2_655 .
Ag8 Ag6 Ag5 106.63(9) . .
Ag8 Ag6 Ag5 60.28(8) 3_665 .
S8 Ag6 Ag1 53.9(2) . .
Ag4 Ag6 Ag1 145.48(14) . .
Ag7 Ag6 Ag1 91.19(10) 3_665 .
Ag5 Ag6 Ag1 91.69(9) 2_655 .
Ag8 Ag6 Ag1 127.36(9) . .
Ag8 Ag6 Ag1 157.01(12) 3_665 .
Ag5 Ag6 Ag1 125.35(10) . .
S6 Ag7 Ag4 159.10(19) . .
S6 Ag7 Ag5 130.29(19) . 3_665
Ag4 Ag7 Ag5 59.27(7) . 3_665
S6 Ag7 Ag6 140.90(19) . 2_655
Ag4 Ag7 Ag6 59.04(9) . 2_655
Ag5 Ag7 Ag6 60.17(9) 3_665 2_655
S6 Ag7 Ag5 119.52(19) . 2_655
Ag4 Ag7 Ag5 58.30(7) . 2_655
Ag5 Ag7 Ag5 109.81(13) 3_665 2_655
Ag6 Ag7 Ag5 62.43(9) 2_655 2_655
S6 Ag7 Ag7 102.95(17) . 3_665
Ag4 Ag7 Ag7 57.36(6) . 3_665
Ag5 Ag7 Ag7 108.40(7) 3_665 3_665
Ag6 Ag7 Ag7 107.76(7) 2_655 3_665
Ag5 Ag7 Ag7 57.36(8) 2_655 3_665
S6 Ag7 Ag7 108.50(17) . 2_655
Ag4 Ag7 Ag7 57.36(6) . 2_655
Ag5 Ag7 Ag7 59.99(8) 3_665 2_655
Ag6 Ag7 Ag7 107.58(6) 2_655 2_655
Ag5 Ag7 Ag7 106.30(7) 2_655 2_655
Ag7 Ag7 Ag7 60.002(1) 3_665 2_655
S6 Ag7 Ag9 53.24(18) . 2_655
Ag4 Ag7 Ag9 146.28(11) . 2_655
Ag5 Ag7 Ag9 90.89(8) 3_665 2_655
Ag6 Ag7 Ag9 93.79(9) 2_655 2_655
Ag5 Ag7 Ag9 129.68(9) 2_655 2_655
Ag7 Ag7 Ag9 156.18(7) 3_665 2_655
Ag7 Ag7 Ag9 123.54(10) 2_655 2_655
S2 Ag8 Ag4 158.6(2) . .
S2 Ag8 Ag8 129.8(2) . 2_655
Ag4 Ag8 Ag8 59.25(6) . 2_655
S2 Ag8 Ag8 141.5(2) . 3_665
Ag4 Ag8 Ag8 59.25(6) . 3_665
Ag8 Ag8 Ag8 60.000(1) 2_655 3_665
S2 Ag8 Ag6 120.3(2) . .
Ag4 Ag8 Ag6 58.21(7) . .
Ag8 Ag8 Ag6 109.63(7) 2_655 .
Ag8 Ag8 Ag6 62.56(9) 3_665 .
S2 Ag8 Ag6 107.6(2) . 2_655
Ag4 Ag8 Ag6 57.32(7) . 2_655
Ag8 Ag8 Ag6 59.96(8) 2_655 2_655
Ag8 Ag8 Ag6 107.59(7) 3_665 2_655
Ag6 Ag8 Ag6 106.28(13) . 2_655
S2 Ag8 Ag5 102.7(2) . 2_655
Ag4 Ag8 Ag5 57.31(9) . 2_655
Ag8 Ag8 Ag5 108.29(6) 2_655 2_655
Ag8 Ag8 Ag5 108.09(6) 3_665 2_655
Ag6 Ag8 Ag5 57.57(8) . 2_655
Ag6 Ag8 Ag5 59.87(8) 2_655 2_655
S2 Ag8 Ag11 52.9(2) . .
Ag4 Ag8 Ag11 146.96(11) . .
Ag8 Ag8 Ag11 91.54(6) 2_655 .
Ag8 Ag8 Ag11 94.04(6) 3_665 .
Ag6 Ag8 Ag11 129.58(11) . .
Ag6 Ag8 Ag11 123.73(9) 2_655 .
Ag5 Ag8 Ag11 155.55(9) 2_655 .
S4 Ag9 S5 127.6(3) . .
S4 Ag9 S6 116.8(3) . 3_665
S5 Ag9 S6 113.0(3) . 3_665
S4 Ag9 Ag1 51.3(2) . .
S5 Ag9 Ag1 105.2(2) . .
S6 Ag9 Ag1 129.7(2) 3_665 .
S4 Ag9 Ag7 109.8(3) . 3_665
S5 Ag9 Ag7 114.04(19) . 3_665
S6 Ag9 Ag7 49.9(2) 3_665 3_665
Ag1 Ag9 Ag7 85.50(10) . 3_665
S4 Ag9 Ag10 104.9(2) . .
S5 Ag9 Ag10 50.3(2) . .
S6 Ag9 Ag10 128.40(18) 3_665 .
Ag1 Ag9 Ag10 59.63(9) . .
Ag7 Ag9 Ag10 89.09(9) 3_665 .
S5 Ag10 S1 128.8(3) . .
S5 Ag10 S3 116.8(3) . 2_655
S1 Ag10 S3 112.4(3) . 2_655
S5 Ag10 Ag1 106.1(2) . .
S1 Ag10 Ag1 50.7(2) . .
S3 Ag10 Ag1 125.5(2) 2_655 .
S5 Ag10 Ag9 51.0(2) . .
S1 Ag10 Ag9 105.2(2) . .
S3 Ag10 Ag9 129.3(2) 2_655 .
Ag1 Ag10 Ag9 59.93(8) . .
S5 Ag10 Ag5 109.8(2) . 2_655
S1 Ag10 Ag5 112.2(2) . 2_655
S3 Ag10 Ag5 49.64(16) 2_655 2_655
Ag1 Ag10 Ag5 85.97(9) . 2_655
Ag9 Ag10 Ag5 85.44(8) . 2_655
S7 Ag11 S7 128.7(5) . 2_655
S7 Ag11 S2 116.3(3) . .
S7 Ag11 S2 113.0(3) 2_655 .
S7 Ag11 Ag8 108.9(2) . .
S7 Ag11 Ag8 113.2(3) 2_655 .
S2 Ag11 Ag8 49.1(2) . .
S7 Ag11 Ag11 50.2(2) . 3_665
S7 Ag11 Ag11 105.2(2) 2_655 3_665
S2 Ag11 Ag11 129.26(19) . 3_665
Ag8 Ag11 Ag11 85.93(6) . 3_665
S7 Ag11 Ag11 105.2(2) . 2_655
S7 Ag11 Ag11 50.2(2) 2_655 2_655
S2 Ag11 Ag11 127.2(2) . 2_655
Ag8 Ag11 Ag11 88.18(5) . 2_655
Ag11 Ag11 Ag11 60.001(1) 3_665 2_655
O2 C51 N1 106(2) . .
C51 N1 C49 98.7(18) . .
C51 N1 C50 95.8(17) . .
C49 N1 C50 95(5) . .
C54 N2 C56 140(8) . .
C54 N2 C55 104(7) . .
C56 N2 C55 116(7) . .
O5 C54 N2 113(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C5 1.38(4) .
C1 C2 1.39(4) .
C1 S1 1.77(3) .
C2 C3 1.43(4) .
C2 H2 0.9300 .
C3 C4 1.37(4) .
C3 S2 1.78(3) .
C4 C6 1.35(4) .
C4 H4 0.9300 .
C5 C6 1.34(4) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.39(4) .
C7 C12 1.41(4) .
C7 S8 1.76(3) .
C8 C9 1.30(4) .
C8 H8 0.9300 .
C9 C10 1.39(4) .
C9 H9 0.9300 .
C10 C11 1.42(4) .
C10 H10 0.9300 .
C11 C12 1.37(4) .
C11 S7 1.76(3) .
C12 H12 0.9300 .
C13 C18 1.39(4) .
C13 C14 1.42(4) .
C13 S4 1.80(3) .
C14 C15 1.40(4) .
C14 H14 0.9300 .
C15 C16 1.37(4) .
C15 S3 1.76(4) .
C16 C17 1.34(4) .
C16 H16 0.9300 .
C17 C18 1.41(4) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C24 1.37(4) .
C19 C20 1.44(4) .
C19 H19 0.9300 .
C20 C21 1.39(4) .
C20 S5 1.72(3) .
C21 C22 1.37(4) .
C21 H21 0.9300 .
C22 C23 1.38(4) .
C22 H22 0.9300 .
C23 C24 1.39(4) .
C23 H23 0.9300 .
C24 S6 1.78(3) .
C25 C26 1.37(4) .
C25 C30 1.41(4) .
C25 P1 1.78(3) .
C26 C27 1.42(4) .
C26 H26 0.9300 .
C27 C28 1.41(4) .
C27 H27 0.9300 .
C28 C29 1.35(4) .
C28 H28 0.9300 .
C29 C30 1.38(4) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C36 1.34(4) .
C31 C32 1.38(4) .
C31 P1 1.82(3) .
C32 C33 1.35(4) .
C32 H32 0.9300 .
C33 C34 1.34(4) .
C33 H33 0.9300 .
C34 C35 1.35(4) .
C34 H34 0.9300 .
C35 C36 1.34(4) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 C42 1.38(2) .
C37 C38 1.396(19) .
C37 P1 1.78(4) .
C38 C39 1.39(2) .
C38 H38 0.9300 .
C39 C40 1.40(2) .
C39 H39 0.9300 .
C40 C41 1.40(2) .
C40 H40 0.9300 .
C41 C42 1.39(2) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 C44 1.35(3) .
C43 C48 1.41(3) .
C43 P2 1.81(3) .
C44 C45 1.34(4) .
C44 H44 0.9300 .
C45 C46 1.39(4) .
C45 H45 0.9300 .
C46 C47 1.36(4) .
C46 H46 0.9300 .
C47 C48 1.36(4) .
C47 H47 0.9300 .
C48 H48 0.9300 .
P1 Ag2 2.509(8) .
P2 C43 1.81(3) 3_665
P2 C43 1.81(3) 2_655
P2 Ag3 2.479(14) .
S1 Ag1 2.464(8) .
S1 Ag10 2.498(10) .
S2 Ag8 2.435(8) .
S2 Ag11 2.566(9) .
S2 Ag2 2.621(9) 2_655
S3 Ag5 2.447(7) .
S3 Ag10 2.561(8) 3_665
S3 Ag2 2.595(9) .
S4 Ag9 2.449(9) .
S4 Ag1 2.484(10) .
S5 Ag10 2.461(10) .
S5 Ag9 2.483(8) .
S6 Ag7 2.452(9) .
S6 Ag9 2.569(8) 2_655
S6 Ag3 2.604(7) .
S7 Ag11 2.463(9) .
S7 Ag11 2.464(8) 3_665
S8 Ag6 2.458(8) .
S8 Ag1 2.571(10) .
S8 Ag2 2.604(8) .
Ag1 Ag6 3.080(3) .
Ag1 Ag10 3.109(4) .
Ag1 Ag9 3.118(4) .
Ag2 S2 2.621(9) 3_665
Ag3 S6 2.604(7) 2_655
Ag3 S6 2.604(7) 3_665
Ag4 Ag6 2.771(2) 2_655
Ag4 Ag6 2.771(2) .
Ag4 Ag6 2.771(2) 3_665
Ag4 Ag7 2.776(4) 3_665
Ag4 Ag7 2.776(4) 2_655
Ag4 Ag7 2.776(4) .
Ag4 Ag8 2.776(4) .
Ag4 Ag8 2.776(4) 2_655
Ag4 Ag8 2.776(4) 3_665
Ag4 Ag5 2.777(2) .
Ag4 Ag5 2.777(2) 3_665
Ag4 Ag5 2.777(2) 2_655
Ag5 Ag7 2.840(3) 2_655
Ag5 Ag6 2.850(3) 3_665
Ag5 Ag7 2.920(3) 3_665
Ag5 Ag6 2.989(3) .
Ag5 Ag8 3.001(4) 3_665
Ag5 Ag10 3.135(3) 3_665
Ag6 Ag7 2.845(4) 3_665
Ag6 Ag5 2.850(3) 2_655
Ag6 Ag8 2.914(3) .
Ag6 Ag8 2.988(4) 3_665
Ag7 Ag5 2.840(3) 3_665
Ag7 Ag6 2.845(4) 2_655
Ag7 Ag5 2.920(3) 2_655
Ag7 Ag7 2.995(3) 3_665
Ag7 Ag7 2.995(3) 2_655
Ag7 Ag9 3.122(3) 2_655
Ag8 Ag8 2.839(3) 2_655
Ag8 Ag8 2.839(3) 3_665
Ag8 Ag6 2.988(4) 2_655
Ag8 Ag5 3.001(4) 2_655
Ag8 Ag11 3.148(4) .
Ag9 S6 2.569(8) 3_665
Ag9 Ag7 3.122(3) 3_665
Ag9 Ag10 3.134(3) .
Ag10 S3 2.561(8) 2_655
Ag10 Ag5 3.135(3) 2_655
Ag11 S7 2.464(8) 2_655
Ag11 Ag11 3.154(4) 3_665
Ag11 Ag11 3.154(4) 2_655
C49 N1 1.46(2) .
C50 N1 1.47(2) .
C51 O2 1.22(2) .
C51 N1 1.45(2) .
O1 C52 1.44(2) .
O3 C53 1.42(2) .
N2 C54 1.437(15) .
N2 C56 1.47(2) .
N2 C55 1.47(2) .
C54 O5 1.23(2) .
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_4
C5 C1 C2 C3 3(4) .
S1 C1 C2 C3 -179(2) .
C1 C2 C3 C4 0(4) .
C1 C2 C3 S2 170(2) .
C2 C3 C4 C6 -2(5) .
S2 C3 C4 C6 -172(2) .
C2 C1 C5 C6 -4(5) .
S1 C1 C5 C6 178(3) .
C1 C5 C6 C4 2(5) .
C3 C4 C6 C5 1(5) .
C12 C7 C8 C9 -3(5) .
S8 C7 C8 C9 -175(3) .
C7 C8 C9 C10 3(5) .
C8 C9 C10 C11 0(5) .
C9 C10 C11 C12 -3(4) .
C9 C10 C11 S7 178(2) .
C10 C11 C12 C7 3(4) .
S7 C11 C12 C7 -178(2) .
C8 C7 C12 C11 0(4) .
S8 C7 C12 C11 172(2) .
C18 C13 C14 C15 1(4) .
S4 C13 C14 C15 -177(2) .
C13 C14 C15 C16 -5(5) .
C13 C14 C15 S3 175(2) .
C14 C15 C16 C17 9(5) .
S3 C15 C16 C17 -172(3) .
C15 C16 C17 C18 -8(6) .
C14 C13 C18 C17 0(4) .
S4 C13 C18 C17 177(2) .
C16 C17 C18 C13 4(6) .
C24 C19 C20 C21 5(4) .
C24 C19 C20 S5 -177(2) .
C19 C20 C21 C22 -5(5) .
S5 C20 C21 C22 177(3) .
C20 C21 C22 C23 6(6) .
C21 C22 C23 C24 -6(5) .
C20 C19 C24 C23 -5(4) .
C20 C19 C24 S6 171(2) .
C22 C23 C24 C19 6(5) .
C22 C23 C24 S6 -171(3) .
C30 C25 C26 C27 0(4) .
P1 C25 C26 C27 176(2) .
C25 C26 C27 C28 -2(4) .
C26 C27 C28 C29 4(5) .
C27 C28 C29 C30 -2(5) .
C28 C29 C30 C25 -1(5) .
C26 C25 C30 C29 2(4) .
P1 C25 C30 C29 -175(2) .
C36 C31 C32 C33 -5(5) .
P1 C31 C32 C33 -180(3) .
C31 C32 C33 C34 1(5) .
C32 C33 C34 C35 5(6) .
C33 C34 C35 C36 -7(6) .
C34 C35 C36 C31 2(7) .
C32 C31 C36 C35 3(6) .
P1 C31 C36 C35 178(4) .
C42 C37 C38 C39 -1(2) .
P1 C37 C38 C39 -180(3) .
C37 C38 C39 C40 0(3) .
C38 C39 C40 C41 1(6) .
C39 C40 C41 C42 0(8) .
C38 C37 C42 C41 2(5) .
P1 C37 C42 C41 -179(4) .
C40 C41 C42 C37 -2(7) .
C48 C43 C44 C45 -2(5) .
P2 C43 C44 C45 -175(3) .
C43 C44 C45 C46 -2(6) .
C44 C45 C46 C47 4(6) .
C45 C46 C47 C48 -1(5) .
C46 C47 C48 C43 -3(5) .
C44 C43 C48 C47 5(4) .
P2 C43 C48 C47 177(2) .
C42 C37 P1 C25 -104(3) .
C38 C37 P1 C25 74(2) .
C42 C37 P1 C31 5(3) .
C38 C37 P1 C31 -177(2) .
C42 C37 P1 Ag2 131(3) .
C38 C37 P1 Ag2 -50(2) .
C26 C25 P1 C37 16(3) .
C30 C25 P1 C37 -168(2) .
C26 C25 P1 C31 -92(3) .
C30 C25 P1 C31 84(2) .
C26 C25 P1 Ag2 137(2) .
C30 C25 P1 Ag2 -47(2) .
C36 C31 P1 C37 101(3) .
C32 C31 P1 C37 -84(3) .
C36 C31 P1 C25 -150(3) .
C32 C31 P1 C25 25(3) .
C36 C31 P1 Ag2 -21(4) .
C32 C31 P1 Ag2 154(2) .
C44 C43 P2 C43 -167(2) 3_665
C48 C43 P2 C43 21(3) 3_665
C44 C43 P2 C43 83(3) 2_655
C48 C43 P2 C43 -89.5(19) 2_655
C44 C43 P2 Ag3 -42(3) .
C48 C43 P2 Ag3 146(2) .
C5 C1 S1 Ag1 127(2) .
C2 C1 S1 Ag1 -51(3) .
C5 C1 S1 Ag10 -151(2) .
C2 C1 S1 Ag10 31(3) .
C4 C3 S2 Ag8 -153(2) .
C2 C3 S2 Ag8 37(2) .
C4 C3 S2 Ag11 -67(3) .
C2 C3 S2 Ag11 123(2) .
C4 C3 S2 Ag2 115(2) 2_655
C2 C3 S2 Ag2 -55(2) 2_655
C16 C15 S3 Ag5 -144(2) .
C14 C15 S3 Ag5 35(3) .
C16 C15 S3 Ag10 -58(3) 3_665
C14 C15 S3 Ag10 121(2) 3_665
C16 C15 S3 Ag2 124(3) .
C14 C15 S3 Ag2 -57(2) .
C18 C13 S4 Ag9 125(2) .
C14 C13 S4 Ag9 -58(3) .
C18 C13 S4 Ag1 -152(2) .
C14 C13 S4 Ag1 25(3) .
C21 C20 S5 Ag10 123(3) .
C19 C20 S5 Ag10 -55(2) .
C21 C20 S5 Ag9 -154(2) .
C19 C20 S5 Ag9 28(3) .
C19 C24 S6 Ag7 36(2) .
C23 C24 S6 Ag7 -147(2) .
C19 C24 S6 Ag9 121(2) 2_655
C23 C24 S6 Ag9 -63(3) 2_655
C19 C24 S6 Ag3 -54(2) .
C23 C24 S6 Ag3 123(2) .
C12 C11 S7 Ag11 -59(3) .
C10 C11 S7 Ag11 120(2) .
C12 C11 S7 Ag11 25(3) 3_665
C10 C11 S7 Ag11 -156(2) 3_665
C8 C7 S8 Ag6 -148(2) .
C12 C7 S8 Ag6 40(3) .
C8 C7 S8 Ag1 -67(3) .
C12 C7 S8 Ag1 122(2) .
C8 C7 S8 Ag2 121(2) .
C12 C7 S8 Ag2 -50(2) .
O2 C51 N1 C49 117(7) .
O2 C51 N1 C50 -147(7) .
C56 N2 C54 O5 13(20) .
C55 N2 C54 O5 -164(10) .
