#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:53:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179869 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/65/7016515.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_7016515
loop_
_publ_author_name
'Babashkina, Maria G.'
'Safin, Damir A.'
'Bolte, Michael'
'Garcia, Yann'
_publ_section_title
;
 Mechanochromism of Ag(i) complexes with iPrNHC(S)NHP(S)(OiPr)(2).
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8523
_journal_page_last               8526
_journal_paper_doi               10.1039/c1dt10688k
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C60 H132 Ag6 N12 O12 P6 S12'
_chemical_formula_sum            'C60 H132 Ag6 N12 O12 P6 S12'
_chemical_formula_weight         2431.54
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.1326(8)
_cell_angle_beta                 90.8079(8)
_cell_angle_gamma                110.3766(7)
_cell_formula_units_Z            1
_cell_length_a                   13.5494(2)
_cell_length_b                   14.3050(2)
_cell_length_c                   15.1930(2)
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      5
_cell_volume                     2580.54(7)
_computing_cell_refinement       'SMART (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_molecular_graphics    'XP (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Siemens CCD three-circle diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_av_sigmaI/netI    0.0476
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            39389
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.64
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.504
_exptl_absorpt_correction_T_max  0.824
_exptl_absorpt_correction_T_min  0.727
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1236
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.372
_refine_diff_density_min         -0.827
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     494
_refine_ls_number_reflns         10241
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0375
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0336P)²+3.3383P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0869
_reflns_number_gt                7519
_reflns_number_total             10241
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10688k.txt
_cod_data_source_block           safin64
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2580.54(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7016515
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.32477(3) 0.04306(2) 0.43422(2) 0.03498(9) Uani 1 1 d . . .
P1 P 0.19289(8) 0.16826(8) 0.56045(8) 0.0296(2) Uani 1 1 d . . .
S1 S 0.16559(8) 0.09374(8) 0.42213(8) 0.0364(3) Uani 1 1 d . . .
S2 S 0.33918(8) 0.02769(7) 0.59051(7) 0.0283(2) Uani 1 1 d . . .
O1 O 0.1211(2) 0.2357(2) 0.5897(2) 0.0359(7) Uani 1 1 d . . .
O2 O 0.3081(2) 0.2556(2) 0.5970(2) 0.0348(7) Uani 1 1 d . . .
N1 N 0.1718(3) 0.0959(2) 0.6246(2) 0.0307(8) Uani 1 1 d . . .
C1 C 0.2240(3) 0.0401(3) 0.6392(3) 0.0261(9) Uani 1 1 d . . .
C2 C 0.0042(3) 0.1845(3) 0.5769(3) 0.0395(11) Uani 1 1 d . . .
H2C H -0.0171 0.1073 0.5455 0.047 Uiso 1 1 calc R . .
C3 C -0.0407(4) 0.2272(4) 0.5169(4) 0.0623(15) Uani 1 1 d . . .
H3A H -0.0164 0.2104 0.4568 0.093 Uiso 1 1 calc R . .
H3B H -0.0179 0.3032 0.5466 0.093 Uiso 1 1 calc R . .
H3C H -0.1170 0.1958 0.5085 0.093 Uiso 1 1 calc R . .
C4 C -0.0284(5) 0.2072(5) 0.6721(4) 0.0699(17) Uani 1 1 d . . .
H4A H 0.0029 0.1773 0.7074 0.105 Uiso 1 1 calc R . .
H4B H -0.1045 0.1761 0.6664 0.105 Uiso 1 1 calc R . .
H4C H -0.0048 0.2830 0.7041 0.105 Uiso 1 1 calc R . .
C5 C 0.3517(3) 0.3416(3) 0.5593(4) 0.0413(11) Uani 1 1 d . . .
H5 H 0.3096 0.3234 0.4988 0.050 Uiso 1 1 calc R . .
C6 C 0.4643(4) 0.3526(4) 0.5457(4) 0.0533(14) Uani 1 1 d . . .
H6A H 0.4643 0.2886 0.4985 0.080 Uiso 1 1 calc R . .
H6B H 0.5033 0.3641 0.6040 0.080 Uiso 1 1 calc R . .
H6C H 0.4973 0.4121 0.5259 0.080 Uiso 1 1 calc R . .
C7 C 0.3441(4) 0.4409(3) 0.6307(5) 0.0672(17) Uani 1 1 d . . .
H7A H 0.2707 0.4300 0.6358 0.101 Uiso 1 1 calc R . .
H7B H 0.3759 0.5004 0.6106 0.101 Uiso 1 1 calc R . .
H7C H 0.3811 0.4551 0.6908 0.101 Uiso 1 1 calc R . .
N2 N 0.1923(3) -0.0146(3) 0.6965(2) 0.0301(8) Uani 1 1 d D . .
H2 H 0.231(3) -0.051(3) 0.705(3) 0.036 Uiso 1 1 d D . .
C8 C 0.0981(3) -0.0172(3) 0.7444(3) 0.0348(10) Uani 1 1 d D . .
H8 H 0.0401 -0.0252 0.6999 0.042 Uiso 1 1 calc R . .
C9 C 0.1217(4) 0.0844(4) 0.8278(3) 0.0559(14) Uani 1 1 d D . .
H9A H 0.1414 0.1439 0.8068 0.084 Uiso 1 1 calc R . .
H9B H 0.1792 0.0935 0.8715 0.084 Uiso 1 1 calc R . .
H9C H 0.0596 0.0804 0.8583 0.084 Uiso 1 1 calc R . .
C10 C 0.0655(4) -0.1137(4) 0.7739(4) 0.0502(13) Uani 1 1 d D . .
H10A H 0.0495 -0.1770 0.7193 0.075 Uiso 1 1 calc R . .
H10B H 0.0035 -0.1180 0.8048 0.075 Uiso 1 1 calc R . .
H10C H 0.1226 -0.1073 0.8164 0.075 Uiso 1 1 calc R . .
Ag1A Ag 0.48761(3) 0.19167(3) 0.68012(3) 0.04412(11) Uani 1 1 d . . .
P1A P 0.67740(11) 0.38429(12) 0.83706(9) 0.0654(5) Uani 1 1 d . . .
S1A S 0.52109(11) 0.35006(12) 0.82201(11) 0.0719(5) Uani 1 1 d . . .
S2A S 0.65976(8) 0.21534(8) 0.61392(7) 0.0298(2) Uani 1 1 d . . .
N1A N 0.7370(3) 0.4130(3) 0.7522(3) 0.0491(11) Uani 1 1 d . . .
N2A N 0.7727(3) 0.4028(3) 0.6050(3) 0.0449(10) Uani 1 1 d D B .
H2A H 0.760(4) 0.364(3) 0.5432(10) 0.054 Uiso 1 1 d D . .
C1A C 0.7262(3) 0.3545(3) 0.6635(3) 0.0345(10) Uani 1 1 d . . .
O1A O 0.7046(3) 0.2964(3) 0.8649(2) 0.0598(10) Uani 1 1 d D . .
C2A C 0.8005(4) 0.2784(5) 0.8458(4) 0.0738(19) Uani 1 1 d D . .
H2D H 0.8054 0.2641 0.7786 0.089 Uiso 1 1 calc R . .
C3A C 0.7856(6) 0.1778(6) 0.8657(6) 0.110(3) Uani 1 1 d D . .
H3A1 H 0.7223 0.1212 0.8274 0.165 Uiso 1 1 calc R . .
H3A2 H 0.7789 0.1902 0.9310 0.165 Uiso 1 1 calc R . .
H3A3 H 0.8460 0.1581 0.8514 0.165 Uiso 1 1 calc R . .
C4A C 0.8984(5) 0.3734(6) 0.9022(5) 0.106(3) Uani 1 1 d D . .
H4A1 H 0.9027 0.4340 0.8860 0.159 Uiso 1 1 calc R . .
H4A2 H 0.9608 0.3571 0.8884 0.159 Uiso 1 1 calc R . .
H4A3 H 0.8940 0.3893 0.9682 0.159 Uiso 1 1 calc R . .
O2A O 0.7357(3) 0.4828(3) 0.9283(3) 0.0777(13) Uani 1 1 d D A .
C5A C 0.7362(5) 0.5801(5) 0.9326(5) 0.082(2) Uani 1 1 d D . .
H5A H 0.7053 0.5775 0.8727 0.099 Uiso 0.724(9) 1 calc PR A 1
H5' H 0.7903 0.6176 0.9010 0.099 Uiso 0.276(9) 1 calc PR A 2
C6A C 0.8564(6) 0.6591(6) 0.9621(6) 0.067(3) Uiso 0.724(9) 1 d PD A 1
H6A1 H 0.8952 0.6423 0.9107 0.101 Uiso 0.724(9) 1 calc PR A 1
H6A2 H 0.8867 0.6518 1.0158 0.101 Uiso 0.724(9) 1 calc PR A 1
H6A3 H 0.8602 0.7311 0.9776 0.101 Uiso 0.724(9) 1 calc PR A 1
C7A C 0.6743(8) 0.6114(8) 1.0113(7) 0.092(3) Uiso 0.724(9) 1 d PD A 1
H7A1 H 0.6008 0.5649 0.9931 0.138 Uiso 0.724(9) 1 calc PR A 1
H7A2 H 0.6804 0.6837 1.0241 0.138 Uiso 0.724(9) 1 calc PR A 1
H7A3 H 0.7024 0.6056 1.0669 0.138 Uiso 0.724(9) 1 calc PR A 1
C6' C 0.7717(18) 0.6171(16) 1.0536(10) 0.076(7) Uiso 0.276(9) 1 d PD A 2
H6'1 H 0.8411 0.6162 1.0656 0.114 Uiso 0.276(9) 1 calc PR A 2
H6'2 H 0.7209 0.5677 1.0764 0.114 Uiso 0.276(9) 1 calc PR A 2
H6'3 H 0.7727 0.6875 1.0853 0.114 Uiso 0.276(9) 1 calc PR A 2
C7' C 0.6517(13) 0.6377(13) 0.9736(13) 0.048(5) Uiso 0.276(9) 1 d PD A 2
H7'1 H 0.5807 0.5900 0.9442 0.073 Uiso 0.276(9) 1 calc PR A 2
H7'2 H 0.6688 0.7021 0.9601 0.073 Uiso 0.276(9) 1 calc PR A 2
H7'3 H 0.6564 0.6543 1.0405 0.073 Uiso 0.276(9) 1 calc PR A 2
C8A C 0.8359(5) 0.5182(4) 0.6346(4) 0.0631(16) Uani 1 1 d D . .
H8A H 0.8016 0.5554 0.6827 0.076 Uiso 0.724(9) 1 calc PR A 1
H8' H 0.8351 0.5581 0.7006 0.076 Uiso 0.276(9) 1 calc PR A 2
C9A C 0.8318(10) 0.5530(8) 0.5516(7) 0.075(3) Uiso 0.704(17) 1 d PD B 1
H9A1 H 0.7590 0.5346 0.5275 0.113 Uiso 0.704(17) 1 calc PR B 1
H9A2 H 0.8651 0.5178 0.5032 0.113 Uiso 0.704(17) 1 calc PR B 1
H9A3 H 0.8687 0.6288 0.5710 0.113 Uiso 0.704(17) 1 calc PR B 1
C10A C 0.9446(6) 0.5429(6) 0.6782(7) 0.059(3) Uiso 0.704(17) 1 d PD B 1
H10D H 0.9405 0.5201 0.7313 0.089 Uiso 0.704(17) 1 calc PR B 1
H10E H 0.9841 0.6184 0.6988 0.089 Uiso 0.704(17) 1 calc PR B 1
H10F H 0.9798 0.5062 0.6330 0.089 Uiso 0.704(17) 1 calc PR B 1
C9' C 0.7986(18) 0.5595(15) 0.5656(14) 0.059(6) Uiso 0.296(17) 1 d PD B 2
H9'1 H 0.7273 0.5560 0.5727 0.088 Uiso 0.296(17) 1 calc PR B 2
H9'2 H 0.8002 0.5164 0.5025 0.088 Uiso 0.296(17) 1 calc PR B 2
H9'3 H 0.8448 0.6321 0.5780 0.088 Uiso 0.296(17) 1 calc PR B 2
C10' C 0.9509(12) 0.5246(17) 0.611(2) 0.088(9) Uiso 0.296(17) 1 d PD B 2
H10G H 0.9829 0.5023 0.6530 0.133 Uiso 0.296(17) 1 calc PR B 2
H10H H 0.9940 0.5967 0.6180 0.133 Uiso 0.296(17) 1 calc PR B 2
H10I H 0.9455 0.4786 0.5471 0.133 Uiso 0.296(17) 1 calc PR B 2
Ag1B Ag 0.63578(3) 0.15803(2) 0.43910(2) 0.03257(9) Uani 1 1 d . . .
P1B P 0.65007(8) 0.19395(8) 0.23208(7) 0.0295(2) Uani 1 1 d . . .
S1B S 0.74603(9) 0.27056(8) 0.35309(7) 0.0371(3) Uani 1 1 d . . .
S2B S 0.45825(8) 0.05320(8) 0.32973(7) 0.0303(2) Uani 1 1 d . . .
O1B O 0.6931(2) 0.2501(2) 0.15910(19) 0.0362(7) Uani 1 1 d . . .
O2B O 0.6616(2) 0.0830(2) 0.18579(18) 0.0323(6) Uani 1 1 d . . .
N1B N 0.5292(3) 0.1860(3) 0.2303(2) 0.0338(8) Uani 1 1 d . . .
N2B N 0.3621(3) 0.1565(3) 0.2676(3) 0.0416(9) Uani 1 1 d D . .
H2B H 0.316(3) 0.133(3) 0.304(3) 0.050 Uiso 1 1 d D . .
C1B C 0.4529(3) 0.1400(3) 0.2730(3) 0.0311(9) Uani 1 1 d . . .
C2B C 0.6964(4) 0.3590(3) 0.1777(3) 0.0468(12) Uani 1 1 d . . .
H2E H 0.6750 0.3850 0.2397 0.056 Uiso 1 1 calc R . .
C3B C 0.8115(5) 0.4276(5) 0.1801(5) 0.093(2) Uani 1 1 d . . .
H3B1 H 0.8556 0.4254 0.2288 0.140 Uiso 1 1 calc R . .
H3B2 H 0.8178 0.4999 0.1925 0.140 Uiso 1 1 calc R . .
H3B3 H 0.8339 0.4009 0.1204 0.140 Uiso 1 1 calc R . .
C4B C 0.6197(5) 0.3558(4) 0.1045(4) 0.0597(15) Uani 1 1 d . . .
H4B1 H 0.5490 0.3116 0.1080 0.090 Uiso 1 1 calc R . .
H4B2 H 0.6379 0.3269 0.0433 0.090 Uiso 1 1 calc R . .
H4B3 H 0.6227 0.4267 0.1149 0.090 Uiso 1 1 calc R . .
C5B C 0.5970(4) 0.0050(4) 0.0964(3) 0.0521(13) Uani 1 1 d . . .
H5B H 0.5388 0.0256 0.0815 0.063 Uiso 1 1 calc R . .
C6B C 0.6660(5) 0.0026(5) 0.0207(4) 0.0703(17) Uani 1 1 d . . .
H6B1 H 0.6910 0.0707 0.0131 0.105 Uiso 1 1 calc R . .
H6B2 H 0.6258 -0.0517 -0.0373 0.105 Uiso 1 1 calc R . .
H6B3 H 0.7257 -0.0126 0.0377 0.105 Uiso 1 1 calc R . .
C7B C 0.5521(5) -0.0998(4) 0.1109(5) 0.093(3) Uani 1 1 d . . .
H7B1 H 0.5066 -0.0948 0.1587 0.140 Uiso 1 1 calc R . .
H7B2 H 0.6091 -0.1172 0.1303 0.140 Uiso 1 1 calc R . .
H7B3 H 0.5117 -0.1546 0.0531 0.140 Uiso 1 1 calc R . .
C8B C 0.3426(4) 0.2258(4) 0.2226(4) 0.0485(12) Uani 1 1 d . . .
H8B H 0.3762 0.2180 0.1653 0.058 Uiso 1 1 calc R . .
C9B C 0.2240(4) 0.1879(5) 0.1949(5) 0.0757(19) Uani 1 1 d . . .
H9B1 H 0.1974 0.1144 0.1540 0.114 Uiso 1 1 calc R . .
H9B2 H 0.2092 0.2302 0.1627 0.114 Uiso 1 1 calc R . .
H9B3 H 0.1898 0.1948 0.2503 0.114 Uiso 1 1 calc R . .
C10B C 0.3902(5) 0.3412(4) 0.2868(5) 0.0708(17) Uani 1 1 d . . .
H10J H 0.4655 0.3617 0.3023 0.106 Uiso 1 1 calc R . .
H10K H 0.3582 0.3501 0.3434 0.106 Uiso 1 1 calc R . .
H10L H 0.3772 0.3851 0.2556 0.106 Uiso 1 1 calc R . .
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'
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_3
S2B Ag1 S2 127.11(4) .
S2B Ag1 S1 125.03(4) .
S2 Ag1 S1 106.18(3) .
O1 P1 O2 102.37(15) .
O1 P1 N1 105.84(16) .
O2 P1 N1 107.10(18) .
O1 P1 S1 109.67(14) .
O2 P1 S1 113.32(12) .
N1 P1 S1 117.28(13) .
P1 S1 Ag1 89.15(5) .
C1 S2 Ag1A 106.15(12) .
C1 S2 Ag1 106.55(14) .
Ag1A S2 Ag1 102.54(3) .
C1 S2 Ag1B 116.64(12) 2_656
Ag1A S2 Ag1B 117.65(4) 2_656
Ag1 S2 Ag1B 105.88(3) 2_656
C2 O1 P1 121.5(2) .
C5 O2 P1 122.3(3) .
C1 N1 P1 130.0(3) .
N1 C1 N2 119.9(3) .
N1 C1 S2 126.7(3) .
N2 C1 S2 113.4(3) .
O1 C2 C3 108.0(4) .
O1 C2 C4 107.2(4) .
C3 C2 C4 113.5(4) .
O1 C2 H2C 109.4 .
C3 C2 H2C 109.4 .
C4 C2 H2C 109.4 .
C2 C3 H3A 109.5 .
C2 C3 H3B 109.5 .
H3A C3 H3B 109.5 .
C2 C3 H3C 109.5 .
H3A C3 H3C 109.5 .
H3B C3 H3C 109.5 .
C2 C4 H4A 109.5 .
C2 C4 H4B 109.5 .
H4A C4 H4B 109.5 .
C2 C4 H4C 109.5 .
H4A C4 H4C 109.5 .
H4B C4 H4C 109.5 .
O2 C5 C6 107.2(4) .
O2 C5 C7 106.6(4) .
C6 C5 C7 113.0(4) .
O2 C5 H5 110.0 .
C6 C5 H5 110.0 .
C7 C5 H5 110.0 .
C5 C6 H6A 109.5 .
C5 C6 H6B 109.5 .
H6A C6 H6B 109.5 .
C5 C6 H6C 109.5 .
H6A C6 H6C 109.5 .
H6B C6 H6C 109.5 .
C5 C7 H7A 109.5 .
C5 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
C5 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
C1 N2 C8 123.2(4) .
C1 N2 H2 116(3) .
C8 N2 H2 120(3) .
N2 C8 C9 111.0(3) .
N2 C8 C10 107.5(3) .
C9 C8 C10 111.5(4) .
N2 C8 H8 108.9 .
C9 C8 H8 108.9 .
C10 C8 H8 108.9 .
C8 C9 H9A 109.5 .
C8 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C8 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
C8 C10 H10A 109.5 .
C8 C10 H10B 109.5 .
H10A C10 H10B 109.5 .
C8 C10 H10C 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
S2 Ag1A S1A 138.19(4) .
S2 Ag1A S2A 114.92(3) .
S1A Ag1A S2A 106.89(4) .
O2A P1A O1A 98.4(3) .
O2A P1A N1A 105.4(2) .
O1A P1A N1A 113.9(2) .
O2A P1A S1A 111.34(17) .
O1A P1A S1A 110.90(15) .
N1A P1A S1A 115.4(2) .
P1A S1A Ag1A 92.73(6) .
C1A S2A Ag1B 109.62(15) .
C1A S2A Ag1A 101.15(13) .
Ag1B S2A Ag1A 113.05(4) .
C1A N1A P1A 130.4(3) .
C1A N2A C8A 123.9(4) .
C1A N2A H2A 118(3) .
C8A N2A H2A 118(3) .
N1A C1A N2A 118.0(4) .
N1A C1A S2A 125.8(3) .
N2A C1A S2A 116.2(3) .
C2A O1A P1A 121.4(4) .
O1A C2A C4A 112.4(5) .
O1A C2A C3A 104.3(5) .
C4A C2A C3A 114.2(6) .
O1A C2A H2D 108.6 .
C4A C2A H2D 108.6 .
C3A C2A H2D 108.6 .
C2A C3A H3A1 109.5 .
C2A C3A H3A2 109.5 .
H3A1 C3A H3A2 109.5 .
C2A C3A H3A3 109.5 .
H3A1 C3A H3A3 109.5 .
H3A2 C3A H3A3 109.5 .
C2A C4A H4A1 109.5 .
C2A C4A H4A2 109.5 .
H4A1 C4A H4A2 109.5 .
C2A C4A H4A3 109.5 .
H4A1 C4A H4A3 109.5 .
H4A2 C4A H4A3 109.5 .
C5A O2A P1A 118.2(5) .
O2A C5A C7A 105.4(6) .
O2A C5A C6A 105.9(6) .
C7A C5A C6A 109.1(7) .
O2A C5A C7' 129.3(8) .
C6A C5A C7' 113.3(8) .
O2A C5A C6' 84.6(8) .
C7A C5A C6' 51.3(8) .
C6A C5A C6' 70.7(9) .
C7' C5A C6' 79.5(9) .
O2A C5A H5A 112.0 .
C7A C5A H5A 112.0 .
C6A C5A H5A 112.0 .
C7' C5A H5A 81.8 .
C6' C5A H5A 160.5 .
O2A C5A H5' 115.2 .
C7A C5A H5' 136.1 .
C7' C5A H5' 115.2 .
C6' C5A H5' 115.2 .
H5A C5A H5' 68.1 .
C5A C6A H6A1 109.5 .
C5A C6A H6A2 109.5 .
H6A1 C6A H6A2 109.5 .
C5A C6A H6A3 109.5 .
H6A1 C6A H6A3 109.5 .
H6A2 C6A H6A3 109.5 .
C5A C7A H7A1 109.5 .
C5A C7A H7A2 109.5 .
H7A1 C7A H7A2 109.5 .
C5A C7A H7A3 109.5 .
H7A1 C7A H7A3 109.5 .
H7A2 C7A H7A3 109.5 .
C5A C6' H6'1 109.5 .
C5A C6' H6'2 109.5 .
H6'1 C6' H6'2 109.5 .
C5A C6' H6'3 109.5 .
H6'1 C6' H6'3 109.5 .
H6'2 C6' H6'3 109.5 .
C5A C7' H7'1 109.5 .
C5A C7' H7'2 109.5 .
H7'1 C7' H7'2 109.5 .
C5A C7' H7'3 109.5 .
H7'1 C7' H7'3 109.5 .
H7'2 C7' H7'3 109.5 .
N2A C8A C10A 110.4(5) .
N2A C8A C9A 108.8(5) .
C10A C8A C9A 114.6(6) .
N2A C8A C9' 107.7(9) .
C10A C8A C9' 130.3(10) .
N2A C8A C10' 104.3(9) .
C9A C8A C10' 83.5(11) .
C9' C8A C10' 103.0(12) .
N2A C8A H8A 107.6 .
C10A C8A H8A 107.6 .
C9A C8A H8A 107.6 .
C9' C8A H8A 89.5 .
C10' C8A H8A 140.2 .
N2A C8A H8' 113.6 .
C10A C8A H8' 78.2 .
C9A C8A H8' 127.2 .
C9' C8A H8' 113.6 .
C10' C8A H8' 113.6 .
C8A C9A H9A1 109.5 .
C8A C9A H9A2 109.5 .
H9A1 C9A H9A2 109.5 .
C8A C9A H9A3 109.5 .
H9A1 C9A H9A3 109.5 .
H9A2 C9A H9A3 109.5 .
C8A C10A H10D 109.5 .
C8A C10A H10E 109.5 .
H10D C10A H10E 109.5 .
C8A C10A H10F 109.5 .
H10D C10A H10F 109.5 .
H10E C10A H10F 109.5 .
C8A C9' H9'1 109.5 .
C8A C9' H9'2 109.5 .
H9'1 C9' H9'2 109.5 .
C8A C9' H9'3 109.5 .
H9'1 C9' H9'3 109.5 .
H9'2 C9' H9'3 109.5 .
C8A C10' H10G 109.5 .
C8A C10' H10H 109.5 .
H10G C10' H10H 109.5 .
C8A C10' H10I 109.5 .
H10G C10' H10I 109.5 .
H10H C10' H10I 109.5 .
S2A Ag1B S1B 122.72(3) .
S2A Ag1B S2B 125.75(3) .
S1B Ag1B S2B 103.37(4) .
S2A Ag1B S2 95.46(3) 2_656
S1B Ag1B S2 115.25(3) 2_656
S2B Ag1B S2 88.40(3) 2_656
O2B P1B O1B 101.80(15) .
O2B P1B N1B 113.66(17) .
O1B P1B N1B 103.59(17) .
O2B P1B S1B 107.86(12) .
O1B P1B S1B 110.04(12) .
N1B P1B S1B 118.49(14) .
P1B S1B Ag1B 95.92(5) .
C1B S2B Ag1 108.56(13) .
C1B S2B Ag1B 102.53(14) .
Ag1 S2B Ag1B 104.76(4) .
C2B O1B P1B 118.9(2) .
C5B O2B P1B 121.3(3) .
C1B N1B P1B 130.2(3) .
C1B N2B C8B 125.3(3) .
C1B N2B H2B 115(3) .
C8B N2B H2B 118(3) .
N1B C1B N2B 117.2(4) .
N1B C1B S2B 125.3(3) .
N2B C1B S2B 117.5(3) .
O1B C2B C4B 108.8(4) .
O1B C2B C3B 106.4(5) .
C4B C2B C3B 114.6(4) .
O1B C2B H2E 109.0 .
C4B C2B H2E 109.0 .
C3B C2B H2E 109.0 .
C2B C3B H3B1 109.5 .
C2B C3B H3B2 109.5 .
H3B1 C3B H3B2 109.5 .
C2B C3B H3B3 109.5 .
H3B1 C3B H3B3 109.5 .
H3B2 C3B H3B3 109.5 .
C2B C4B H4B1 109.5 .
C2B C4B H4B2 109.5 .
H4B1 C4B H4B2 109.5 .
C2B C4B H4B3 109.5 .
H4B1 C4B H4B3 109.5 .
H4B2 C4B H4B3 109.5 .
O2B C5B C6B 108.7(4) .
O2B C5B C7B 106.3(4) .
C6B C5B C7B 112.8(4) .
O2B C5B H5B 109.6 .
C6B C5B H5B 109.6 .
C7B C5B H5B 109.6 .
C5B C6B H6B1 109.5 .
C5B C6B H6B2 109.5 .
H6B1 C6B H6B2 109.5 .
C5B C6B H6B3 109.5 .
H6B1 C6B H6B3 109.5 .
H6B2 C6B H6B3 109.5 .
C5B C7B H7B1 109.5 .
C5B C7B H7B2 109.5 .
H7B1 C7B H7B2 109.5 .
C5B C7B H7B3 109.5 .
H7B1 C7B H7B3 109.5 .
H7B2 C7B H7B3 109.5 .
N2B C8B C9B 107.8(4) .
N2B C8B C10B 111.0(4) .
C9B C8B C10B 112.5(5) .
N2B C8B H8B 108.5 .
C9B C8B H8B 108.5 .
C10B C8B H8B 108.5 .
C8B C9B H9B1 109.5 .
C8B C9B H9B2 109.5 .
H9B1 C9B H9B2 109.5 .
C8B C9B H9B3 109.5 .
H9B1 C9B H9B3 109.5 .
H9B2 C9B H9B3 109.5 .
C8B C10B H10J 109.5 .
C8B C10B H10K 109.5 .
H10J C10B H10K 109.5 .
C8B C10B H10L 109.5 .
H10J C10B H10L 109.5 .
H10K C10B H10L 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S2B 2.4210(10) .
Ag1 S2 2.4665(11) .
Ag1 S1 2.5251(12) .
P1 O1 1.568(3) .
P1 O2 1.571(3) .
P1 N1 1.603(3) .
P1 S1 1.9810(16) .
S2 C1 1.776(4) .
S2 Ag1A 2.4382(10) .
S2 Ag1B 2.6877(10) 2_656
O1 C2 1.474(5) .
O2 C5 1.469(5) .
N1 C1 1.300(5) .
C1 N2 1.333(5) .
C2 C3 1.477(7) .
C2 C4 1.484(7) .
C2 H2C 0.9800 .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C6 1.504(6) .
C5 C7 1.516(6) .
C5 H5 0.9800 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
N2 C8 1.473(4) .
N2 H2 0.89(4) .
C8 C9 1.509(6) .
C8 C10 1.512(6) .
C8 H8 0.9800 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
Ag1A S1A 2.4580(13) .
Ag1A S2A 2.5112(10) .
P1A O2A 1.563(4) .
P1A O1A 1.601(4) .
P1A N1A 1.622(4) .
P1A S1A 1.992(2) .
S2A C1A 1.758(4) .
S2A Ag1B 2.4889(10) .
N1A C1A 1.306(5) .
N2A C1A 1.333(5) .
N2A C8A 1.476(5) .
N2A H2A 0.899(10) .
O1A C2A 1.427(6) .
C2A C4A 1.513(8) .
C2A C3A 1.514(9) .
C2A H2D 0.9800 .
C3A H3A1 0.9600 .
C3A H3A2 0.9600 .
C3A H3A3 0.9600 .
C4A H4A1 0.9600 .
C4A H4A2 0.9600 .
C4A H4A3 0.9600 .
O2A C5A 1.369(7) .
C5A C7A 1.507(9) .
C5A C6A 1.579(9) .
C5A C7' 1.649(13) .
C5A C6' 1.747(15) .
C5A H5A 0.9800 .
C5A H5' 0.9800 .
C6A H6A1 0.9600 .
C6A H6A2 0.9600 .
C6A H6A3 0.9600 .
C7A H7A1 0.9600 .
C7A H7A2 0.9600 .
C7A H7A3 0.9600 .
C6' H6'1 0.9600 .
C6' H6'2 0.9600 .
C6' H6'3 0.9600 .
C7' H7'1 0.9600 .
C7' H7'2 0.9600 .
C7' H7'3 0.9600 .
C8A C10A 1.480(9) .
C8A C9A 1.507(9) .
C8A C9' 1.517(13) .
C8A C10' 1.582(14) .
C8A H8A 0.9800 .
C8A H8' 0.9800 .
C9A H9A1 0.9600 .
C9A H9A2 0.9600 .
C9A H9A3 0.9600 .
C10A H10D 0.9600 .
C10A H10E 0.9600 .
C10A H10F 0.9600 .
C9' H9'1 0.9600 .
C9' H9'2 0.9600 .
C9' H9'3 0.9600 .
C10' H10G 0.9600 .
C10' H10H 0.9600 .
C10' H10I 0.9600 .
Ag1B S1B 2.5079(10) .
Ag1B S2B 2.5569(11) .
Ag1B S2 2.6877(10) 2_656
P1B O2B 1.575(3) .
P1B O1B 1.578(3) .
P1B N1B 1.601(3) .
P1B S1B 1.9726(16) .
S2B C1B 1.746(4) .
O1B C2B 1.474(5) .
O2B C5B 1.466(5) .
N1B C1B 1.323(5) .
N2B C1B 1.337(5) .
N2B C8B 1.465(6) .
N2B H2B 0.89(4) .
C2B C4B 1.490(7) .
C2B C3B 1.519(7) .
C2B H2E 0.9800 .
C3B H3B1 0.9600 .
C3B H3B2 0.9600 .
C3B H3B3 0.9600 .
C4B H4B1 0.9600 .
C4B H4B2 0.9600 .
C4B H4B3 0.9600 .
C5B C6B 1.492(7) .
C5B C7B 1.501(8) .
C5B H5B 0.9800 .
C6B H6B1 0.9600 .
C6B H6B2 0.9600 .
C6B H6B3 0.9600 .
C7B H7B1 0.9600 .
C7B H7B2 0.9600 .
C7B H7B3 0.9600 .
C8B C9B 1.509(7) .
C8B C10B 1.508(7) .
C8B H8B 0.9800 .
C9B H9B1 0.9600 .
C9B H9B2 0.9600 .
C9B H9B3 0.9600 .
C10B H10J 0.9600 .
C10B H10K 0.9600 .
C10B H10L 0.9600 .
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
N2A H2A S1B 0.899(10) 2.728(13) 3.620(4) 172(4)
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_4
O1 P1 S1 Ag1 169.78(11) . .
O2 P1 S1 Ag1 56.09(13) . .
N1 P1 S1 Ag1 -69.53(15) . .
S2B Ag1 S1 P1 -136.19(5) . .
S2 Ag1 S1 P1 29.91(5) . .
S2B Ag1 S2 C1 173.03(12) . .
S1 Ag1 S2 C1 7.31(13) . .
S2B Ag1 S2 Ag1A 61.72(5) . .
S1 Ag1 S2 Ag1A -104.00(4) . .
S2B Ag1 S2 Ag1B -62.17(5) . 2_656
S1 Ag1 S2 Ag1B 132.11(4) . 2_656
O2 P1 O1 C2 -174.3(3) . .
N1 P1 O1 C2 -62.2(4) . .
S1 P1 O1 C2 65.2(3) . .
O1 P1 O2 C5 -64.1(3) . .
N1 P1 O2 C5 -175.2(3) . .
S1 P1 O2 C5 53.9(3) . .
O1 P1 N1 C1 -167.0(4) . .
O2 P1 N1 C1 -58.3(4) . .
S1 P1 N1 C1 70.3(4) . .
P1 N1 C1 N2 179.7(3) . .
P1 N1 C1 S2 0.3(6) . .
Ag1A S2 C1 N1 77.5(4) . .
Ag1 S2 C1 N1 -31.3(4) . .
Ag1B S2 C1 N1 -149.2(3) 2_656 .
Ag1A S2 C1 N2 -101.9(3) . .
Ag1 S2 C1 N2 149.3(3) . .
Ag1B S2 C1 N2 31.4(3) 2_656 .
P1 O1 C2 C3 -122.3(4) . .
P1 O1 C2 C4 115.0(4) . .
P1 O2 C5 C6 -136.8(3) . .
P1 O2 C5 C7 102.0(4) . .
N1 C1 N2 C8 1.1(6) . .
S2 C1 N2 C8 -179.4(3) . .
C1 N2 C8 C9 -77.2(5) . .
C1 N2 C8 C10 160.5(4) . .
C1 S2 Ag1A S1A 8.51(18) . .
Ag1 S2 Ag1A S1A 120.12(8) . .
Ag1B S2 Ag1A S1A -124.23(8) 2_656 .
C1 S2 Ag1A S2A -170.54(15) . .
Ag1 S2 Ag1A S2A -58.94(5) . .
Ag1B S2 Ag1A S2A 56.72(5) 2_656 .
O2A P1A S1A Ag1A -176.6(2) . .
O1A P1A S1A Ag1A -68.10(15) . .
N1A P1A S1A Ag1A 63.29(18) . .
S2 Ag1A S1A P1A 159.65(7) . .
S2A Ag1A S1A P1A -21.25(10) . .
S2 Ag1A S2A C1A 157.38(16) . .
S1A Ag1A S2A C1A -21.96(17) . .
S2 Ag1A S2A Ag1B 40.26(6) . .
S1A Ag1A S2A Ag1B -139.08(6) . .
O2A P1A N1A C1A 172.9(5) . .
O1A P1A N1A C1A 66.2(5) . .
S1A P1A N1A C1A -63.8(5) . .
P1A N1A C1A N2A 169.4(4) . .
P1A N1A C1A S2A -13.4(7) . .
C8A N2A C1A N1A 0.2(7) . .
C8A N2A C1A S2A -177.3(4) . .
Ag1B S2A C1A N1A 168.6(4) . .
Ag1A S2A C1A N1A 49.0(4) . .
Ag1B S2A C1A N2A -14.2(4) . .
Ag1A S2A C1A N2A -133.8(3) . .
O2A P1A O1A C2A -87.1(4) . .
N1A P1A O1A C2A 23.9(4) . .
S1A P1A O1A C2A 156.1(3) . .
P1A O1A C2A C4A 66.0(6) . .
P1A O1A C2A C3A -169.9(4) . .
O1A P1A O2A C5A 177.3(4) . .
N1A P1A O2A C5A 59.6(5) . .
S1A P1A O2A C5A -66.3(4) . .
P1A O2A C5A C7A 115.6(6) . .
P1A O2A C5A C6A -128.8(5) . .
P1A O2A C5A C7' 91.2(11) . .
P1A O2A C5A C6' 163.0(8) . .
C1A N2A C8A C10A 80.0(7) . .
C1A N2A C8A C9A -153.5(7) . .
C1A N2A C8A C9' -132.5(11) . .
C1A N2A C8A C10' 118.6(13) . .
C1A S2A Ag1B S1B 20.06(16) . .
Ag1A S2A Ag1B S1B 132.07(4) . .
C1A S2A Ag1B S2B -123.18(15) . .
Ag1A S2A Ag1B S2B -11.17(6) . .
C1A S2A Ag1B S2 144.86(15) . 2_656
Ag1A S2A Ag1B S2 -103.13(4) . 2_656
O2B P1B S1B Ag1B -73.21(11) . .
O1B P1B S1B Ag1B 176.52(12) . .
N1B P1B S1B Ag1B 57.67(15) . .
S2A Ag1B S1B P1B -163.05(5) . .
S2B Ag1B S1B P1B -12.99(6) . .
S2 Ag1B S1B P1B 81.61(6) 2_656 .
S2 Ag1 S2B C1B -143.54(15) . .
S1 Ag1 S2B C1B 19.65(16) . .
S2 Ag1 S2B Ag1B -34.57(5) . .
S1 Ag1 S2B Ag1B 128.62(4) . .
S2A Ag1B S2B C1B 119.69(14) . .
S1B Ag1B S2B C1B -29.15(14) . .
S2 Ag1B S2B C1B -144.74(14) 2_656 .
S2A Ag1B S2B Ag1 6.38(6) . .
S1B Ag1B S2B Ag1 -142.46(4) . .
S2 Ag1B S2B Ag1 101.95(4) 2_656 .
O2B P1B O1B C2B -179.5(3) . .
N1B P1B O1B C2B 62.3(4) . .
S1B P1B O1B C2B -65.3(3) . .
O1B P1B O2B C5B -66.7(3) . .
N1B P1B O2B C5B 44.0(3) . .
S1B P1B O2B C5B 177.5(3) . .
O2B P1B N1B C1B 65.5(4) . .
O1B P1B N1B C1B 175.1(4) . .
S1B P1B N1B C1B -62.8(4) . .
P1B N1B C1B N2B 172.4(3) . .
P1B N1B C1B S2B -11.7(6) . .
C8B N2B C1B N1B -3.5(7) . .
C8B N2B C1B S2B -179.8(4) . .
Ag1 S2B C1B N1B 161.8(3) . .
Ag1B S2B C1B N1B 51.3(4) . .
Ag1 S2B C1B N2B -22.3(4) . .
Ag1B S2B C1B N2B -132.8(3) . .
P1B O1B C2B C4B -114.0(4) . .
P1B O1B C2B C3B 122.0(4) . .
P1B O2B C5B C6B 106.5(4) . .
P1B O2B C5B C7B -131.8(4) . .
C1B N2B C8B C9B 156.1(5) . .
C1B N2B C8B C10B -80.2(6) . .
