#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:21:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180179 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/75/7107553.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_7107553
loop_
_publ_author_name
'Nicola Giri'
'William Clegg'
'Ross W. Harrington'
'Peter N. Horton'
'Michael B. Hursthouse'
'Stuart L. James'
_publ_section_title
;
 Selective formation of a polar incomplete coordination cage induced by
 remote ligand substituents
;
_journal_name_full               Chem.Commun.
_journal_page_first              4061
_journal_paper_doi               10.1039/c2cc17832j
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety
'C233 H297 Ag6 N24 O9 P12 S3 3+,3 C7 H7 O3 S -'
_chemical_formula_sum            'C254 H318 Ag6 N24 O18 P12 S6'
_chemical_formula_weight         5206.68
_chemical_name_systematic        ?
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   39.4527(8)
_cell_length_b                   39.4527(8)
_cell_length_c                   39.4527(8)
_cell_measurement_reflns_used    12637
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     61409(2)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1093
_diffrn_reflns_av_sigmaI/netI    0.1628
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            149637
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.53
_exptl_absorpt_correction_T_max  0.889
_exptl_absorpt_correction_T_min  0.839
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.10 (Sheldrick, G.M., 2003)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.126
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             21696
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.281
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.892
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1421
_refine_ls_number_reflns         22890
_refine_ls_number_restraints     5610
_refine_ls_restrained_S_all      0.860
_refine_ls_R_factor_all          0.2195
_refine_ls_R_factor_gt           0.1112
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3148
_refine_ls_wR_factor_ref         0.3610
_reflns_number_gt                6751
_reflns_number_total             22890
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc17832j.txt
_cod_data_source_block           2006src1215sq
_cod_database_code               7107553
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
'-z, -x, -y'
'-z-1/2, x-1/2, y'
'z-1/2, x, -y-1/2'
'z, -x-1/2, y-1/2'
'-y, -z, -x'
'y, -z-1/2, x-1/2'
'-y-1/2, z-1/2, x'
'y-1/2, z, -x-1/2'
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 0.080618(17) 0.321022(18) 0.713696(18) 0.0835(3) Uani 1 1 d U A .
Ag2 Ag 0.172139(18) 0.203114(18) 0.712704(18) 0.0866(3) Uani 1 1 d U A .
C1 C 0.0759(2) 0.2404(2) 0.6666(2) 0.087(2) Uani 1 1 d U A .
H1A H 0.0836 0.2282 0.6871 0.104 Uiso 1 1 calc R . .
H1B H 0.0590 0.2256 0.6553 0.104 Uiso 1 1 calc R . .
C2 C 0.1214(2) 0.2081(2) 0.63617(19) 0.086(2) Uani 1 1 d U B .
H2A H 0.1409 0.2108 0.6205 0.103 Uiso 1 1 calc R . .
H2B H 0.1039 0.1954 0.6236 0.103 Uiso 1 1 calc R . .
C3 C 0.10764(19) 0.4041(2) 0.7410(2) 0.084(2) Uani 1 1 d U A .
H3A H 0.1126 0.4120 0.7178 0.101 Uiso 1 1 calc R . .
H3B H 0.1000 0.4242 0.7540 0.101 Uiso 1 1 calc R . .
C4 C 0.1073(2) 0.2431(2) 0.6421(2) 0.080(2) Uani 1 1 d U . .
C5 C 0.1354(2) 0.2674(2) 0.6575(2) 0.087(3) Uani 1 1 d U . .
H5A H 0.1560 0.2661 0.6436 0.130 Uiso 1 1 calc R . .
H5B H 0.1407 0.2604 0.6807 0.130 Uiso 1 1 calc R . .
H5C H 0.1270 0.2908 0.6576 0.130 Uiso 1 1 calc R . .
P1 P 0.05383(6) 0.27732(6) 0.68076(6) 0.0791(7) Uani 1 1 d DU . .
P2 P 0.13531(6) 0.18146(6) 0.66932(6) 0.0848(7) Uani 1 1 d DU . .
P3 P 0.07263(6) 0.37650(7) 0.73808(7) 0.0915(7) Uani 1 1 d DU . .
C6 C 0.23708(19) 0.21603(19) 0.77692(18) 0.0682(19) Uani 1 1 d U B .
H6A H 0.2216 0.2292 0.7916 0.082 Uiso 1 1 calc R . .
H6B H 0.2523 0.2033 0.7923 0.082 Uiso 1 1 calc R . .
C7 C 0.25878(19) 0.24122(19) 0.75878(19) 0.068(3) Uani 1 3 d SU . .
C8 C 0.23587(19) 0.26413(19) 0.73587(19) 0.085(4) Uani 1 3 d SU . .
H8A H 0.2286 0.2841 0.7488 0.127 Uiso 0.33 1 calc PR . .
H8B H 0.2159 0.2512 0.7286 0.127 Uiso 0.33 1 calc PR . .
H8C H 0.2488 0.2714 0.7159 0.127 Uiso 0.33 1 calc PR . .
P4 P 0.21121(6) 0.18491(5) 0.75539(6) 0.0730(6) Uani 1 1 d DU . .
C11 C 0.0295(3) 0.2969(9) 0.6475(4) 0.102(7) Uani 0.32(3) 1 d PDU A 1
C12 C 0.0135(6) 0.2721(7) 0.6277(6) 0.105(7) Uani 0.32(3) 1 d PDU A 1
H12 H 0.0170 0.2489 0.6334 0.126 Uiso 0.32(3) 1 calc PR A 1
C13 C -0.0064(6) 0.2791(6) 0.6010(6) 0.126(7) Uani 0.32(3) 1 d PDU A 1
H13 H -0.0164 0.2609 0.5888 0.151 Uiso 0.32(3) 1 calc PR A 1
C14 C -0.0131(5) 0.3129(5) 0.5903(5) 0.117(6) Uani 0.32(3) 1 d PDU A 1
C15 C 0.0030(8) 0.3380(6) 0.6104(6) 0.113(7) Uani 0.32(3) 1 d PDU A 1
H15 H -0.0002 0.3612 0.6048 0.135 Uiso 0.32(3) 1 calc PR A 1
C16 C 0.0228(7) 0.3302(8) 0.6370(6) 0.120(8) Uani 0.32(3) 1 d PDU A 1
H16 H 0.0328 0.3482 0.6494 0.144 Uiso 0.32(3) 1 calc PR A 1
C17 C -0.0453(10) 0.2930(7) 0.5400(8) 0.125(12) Uani 0.32(3) 1 d PDU A 1
H17A H -0.0273 0.2762 0.5370 0.187 Uiso 0.32(3) 1 calc PR A 1
H17B H -0.0513 0.3028 0.5180 0.187 Uiso 0.32(3) 1 calc PR A 1
H17C H -0.0653 0.2820 0.5499 0.187 Uiso 0.32(3) 1 calc PR A 1
C18 C -0.0313(8) 0.3540(7) 0.5462(6) 0.148(13) Uani 0.32(3) 1 d PDU A 1
H18A H -0.0371 0.3718 0.5626 0.222 Uiso 0.32(3) 1 calc PR A 1
H18B H -0.0474 0.3547 0.5273 0.222 Uiso 0.32(3) 1 calc PR A 1
H18C H -0.0083 0.3576 0.5377 0.222 Uiso 0.32(3) 1 calc PR A 1
N11 N -0.0334(6) 0.3203(6) 0.5631(5) 0.117(8) Uani 0.32(3) 1 d PDU A 1
C111 C 0.02888(18) 0.2879(4) 0.6443(2) 0.098(4) Uani 0.68(3) 1 d PDU A 2
C112 C 0.0074(3) 0.2682(3) 0.6238(3) 0.096(4) Uani 0.68(3) 1 d PDU A 2
H112 H 0.0049 0.2449 0.6291 0.115 Uiso 0.68(3) 1 calc PR A 2
C113 C -0.0097(3) 0.2806(3) 0.5971(3) 0.124(5) Uani 0.68(3) 1 d PDU A 2
H113 H -0.0239 0.2658 0.5845 0.149 Uiso 0.68(3) 1 calc PR A 2
C114 C -0.0073(3) 0.3151(3) 0.5870(3) 0.118(4) Uani 0.68(3) 1 d PDU A 2
C115 C 0.0144(4) 0.3350(3) 0.6078(3) 0.116(5) Uani 0.68(3) 1 d PDU A 2
H115 H 0.0171 0.3583 0.6027 0.139 Uiso 0.68(3) 1 calc PR A 2
C116 C 0.0311(3) 0.3219(4) 0.6345(3) 0.107(5) Uani 0.68(3) 1 d PDU A 2
H116 H 0.0452 0.3366 0.6474 0.128 Uiso 0.68(3) 1 calc PR A 2
C117 C -0.0529(6) 0.3100(7) 0.5438(6) 0.208(12) Uani 0.68(3) 1 d PDU A 2
H11A H -0.0445 0.2893 0.5328 0.312 Uiso 0.68(3) 1 calc PR A 2
H11B H -0.0636 0.3246 0.5268 0.312 Uiso 0.68(3) 1 calc PR A 2
H11C H -0.0696 0.3039 0.5612 0.312 Uiso 0.68(3) 1 calc PR A 2
C118 C -0.0247(6) 0.3654(5) 0.5538(5) 0.176(10) Uani 0.68(3) 1 d PDU A 2
H11D H -0.0335 0.3700 0.5311 0.265 Uiso 0.68(3) 1 calc PR A 2
H11E H -0.0017 0.3744 0.5557 0.265 Uiso 0.68(3) 1 calc PR A 2
H11F H -0.0393 0.3764 0.5707 0.265 Uiso 0.68(3) 1 calc PR A 2
N111 N -0.0242(4) 0.3283(4) 0.5599(3) 0.137(5) Uani 0.68(3) 1 d PDU A 2
C21 C 0.02320(13) 0.2599(2) 0.70881(15) 0.092(3) Uani 0.813(7) 1 d PDU A 2
C22 C 0.00646(19) 0.2821(2) 0.7312(2) 0.122(4) Uani 0.813(7) 1 d PDU A 2
H22 H 0.0122 0.3054 0.7303 0.147 Uiso 0.813(7) 1 calc PR A 2
C23 C -0.0171(2) 0.2722(2) 0.7535(2) 0.136(4) Uani 0.813(7) 1 d PDU A 2
H23 H -0.0272 0.2889 0.7677 0.163 Uiso 0.813(7) 1 calc PR A 2
C24 C -0.02772(18) 0.2379(2) 0.75691(19) 0.130(4) Uani 0.813(7) 1 d PDU A 2
C25 C -0.0108(2) 0.2155(2) 0.7344(2) 0.137(5) Uani 0.813(7) 1 d PDU A 2
H25 H -0.0163 0.1920 0.7351 0.164 Uiso 0.813(7) 1 calc PR A 2
C26 C 0.01275(19) 0.2261(2) 0.7121(2) 0.116(4) Uani 0.813(7) 1 d PDU A 2
H26 H 0.0229 0.2096 0.6978 0.140 Uiso 0.813(7) 1 calc PR A 2
C27 C -0.0684(3) 0.2531(4) 0.8026(4) 0.178(6) Uani 0.813(7) 1 d PDU A 2
H27A H -0.0511 0.2660 0.8149 0.267 Uiso 0.813(7) 1 calc PR A 2
H27B H -0.0828 0.2411 0.8189 0.267 Uiso 0.813(7) 1 calc PR A 2
H27C H -0.0823 0.2686 0.7891 0.267 Uiso 0.813(7) 1 calc PR A 2
C28 C -0.0684(4) 0.1945(3) 0.7788(5) 0.201(8) Uani 0.813(7) 1 d PDU A 2
H28A H -0.0702 0.1870 0.7552 0.301 Uiso 0.813(7) 1 calc PR A 2
H28B H -0.0911 0.1962 0.7888 0.301 Uiso 0.813(7) 1 calc PR A 2
H28C H -0.0548 0.1781 0.7917 0.301 Uiso 0.813(7) 1 calc PR A 2
N21 N -0.05167(19) 0.2282(3) 0.7799(2) 0.152(4) Uani 0.813(7) 1 d PDU A 2
C121 C 0.0382(5) 0.2593(4) 0.7207(4) 0.106(6) Uani 0.187(7) 1 d PDU A 1
C122 C 0.0452(5) 0.2466(10) 0.7532(6) 0.135(11) Uani 0.187(7) 1 d PDU A 1
H122 H 0.0682 0.2459 0.7604 0.162 Uiso 0.187(7) 1 calc PR A 1
C123 C 0.0214(5) 0.2353(9) 0.7747(5) 0.131(11) Uani 0.187(7) 1 d PDU A 1
H123 H 0.0283 0.2270 0.7963 0.157 Uiso 0.187(7) 1 calc PR A 1
C124 C -0.0137(5) 0.2353(7) 0.7667(5) 0.151(8) Uani 0.187(7) 1 d PDU A 1
C125 C -0.0208(5) 0.2481(9) 0.7338(5) 0.143(8) Uani 0.187(7) 1 d PDU A 1
H125 H -0.0437 0.2489 0.7264 0.172 Uiso 0.187(7) 1 calc PR A 1
C126 C 0.0035(6) 0.2591(7) 0.7127(4) 0.128(8) Uani 0.187(7) 1 d PDU A 1
H126 H -0.0031 0.2673 0.6911 0.154 Uiso 0.187(7) 1 calc PR A 1
C127 C -0.0422(14) 0.2377(16) 0.8231(8) 0.21(2) Uani 0.187(7) 1 d PDU A 1
H12A H -0.0625 0.2521 0.8240 0.309 Uiso 0.187(7) 1 calc PR A 1
H12B H -0.0222 0.2512 0.8289 0.309 Uiso 0.187(7) 1 calc PR A 1
H12C H -0.0446 0.2190 0.8392 0.309 Uiso 0.187(7) 1 calc PR A 1
C128 C -0.0532(7) 0.1894(7) 0.7844(11) 0.148(17) Uani 0.187(7) 1 d PDU A 1
H12D H -0.0561 0.1843 0.7603 0.222 Uiso 0.187(7) 1 calc PR A 1
H12E H -0.0753 0.1886 0.7958 0.222 Uiso 0.187(7) 1 calc PR A 1
H12F H -0.0380 0.1726 0.7947 0.222 Uiso 0.187(7) 1 calc PR A 1
N121 N -0.0384(6) 0.2238(8) 0.7883(6) 0.155(10) Uani 0.187(7) 1 d PDU A 1
C31 C 0.16031(19) 0.1490(3) 0.6502(2) 0.132(4) Uani 0.735(9) 1 d PDU B 2
C32 C 0.1590(3) 0.1152(3) 0.6613(3) 0.168(6) Uani 0.735(9) 1 d PDU B 2
H32 H 0.1443 0.1099 0.6797 0.201 Uiso 0.735(9) 1 calc PR B 2
C33 C 0.1772(3) 0.0899(3) 0.6477(3) 0.174(6) Uani 0.735(9) 1 d PDU B 2
H33 H 0.1747 0.0676 0.6567 0.209 Uiso 0.735(9) 1 calc PR B 2
C34 C 0.2002(3) 0.0951(3) 0.6204(3) 0.202(7) Uani 0.735(9) 1 d PDU B 2
C35 C 0.2013(3) 0.1293(3) 0.6092(3) 0.191(8) Uani 0.735(9) 1 d PDU B 2
H35 H 0.2160 0.1348 0.5909 0.229 Uiso 0.735(9) 1 calc PR B 2
C36 C 0.1828(3) 0.1540(3) 0.6231(3) 0.160(6) Uani 0.735(9) 1 d PDU B 2
H36 H 0.1849 0.1763 0.6141 0.192 Uiso 0.735(9) 1 calc PR B 2
C37 C 0.2200(6) 0.0356(3) 0.6230(6) 0.261(12) Uani 0.735(9) 1 d PDU B 2
H37A H 0.2347 0.0205 0.6099 0.392 Uiso 0.735(9) 1 calc PR B 2
H37B H 0.1971 0.0260 0.6241 0.392 Uiso 0.735(9) 1 calc PR B 2
H37C H 0.2290 0.0379 0.6461 0.392 Uiso 0.735(9) 1 calc PR B 2
C38 C 0.2484(7) 0.0759(5) 0.5841(8) 0.39(2) Uani 0.735(9) 1 d PDU B 2
H38A H 0.2442 0.0964 0.5707 0.591 Uiso 0.735(9) 1 calc PR B 2
H38B H 0.2517 0.0566 0.5689 0.591 Uiso 0.735(9) 1 calc PR B 2
H38C H 0.2687 0.0791 0.5980 0.591 Uiso 0.735(9) 1 calc PR B 2
N31 N 0.2188(3) 0.0694(3) 0.6065(3) 0.235(8) Uani 0.735(9) 1 d PDU B 2
C131 C 0.1515(3) 0.1449(3) 0.6469(3) 0.129(6) Uani 0.265(9) 1 d PDU B 1
C132 C 0.1735(5) 0.1214(4) 0.6621(5) 0.167(8) Uani 0.265(9) 1 d PDU B 1
H132 H 0.1800 0.1250 0.6850 0.201 Uiso 0.265(9) 1 calc PR B 1
C133 C 0.1859(6) 0.0940(5) 0.6462(5) 0.184(8) Uani 0.265(9) 1 d PDU B 1
H133 H 0.2006 0.0794 0.6583 0.220 Uiso 0.265(9) 1 calc PR B 1
C134 C 0.1780(5) 0.0860(4) 0.6119(5) 0.192(9) Uani 0.265(9) 1 d PDU B 1
C135 C 0.1557(7) 0.1099(5) 0.5966(4) 0.166(11) Uani 0.265(9) 1 d PDU B 1
H135 H 0.1492 0.1065 0.5737 0.200 Uiso 0.265(9) 1 calc PR B 1
C136 C 0.1436(6) 0.1371(5) 0.6132(3) 0.143(9) Uani 0.265(9) 1 d PDU B 1
H136 H 0.1287 0.1518 0.6013 0.171 Uiso 0.265(9) 1 calc PR B 1
C137 C 0.2185(6) 0.0372(5) 0.6090(8) 0.212(18) Uani 0.265(9) 1 d PDU B 1
H13A H 0.2127 0.0132 0.6067 0.318 Uiso 0.265(9) 1 calc PR B 1
H13B H 0.2221 0.0427 0.6330 0.318 Uiso 0.265(9) 1 calc PR B 1
H13C H 0.2394 0.0419 0.5963 0.318 Uiso 0.265(9) 1 calc PR B 1
C138 C 0.1869(12) 0.0547(8) 0.5579(6) 0.23(2) Uani 0.265(9) 1 d PDU B 1
H13D H 0.1901 0.0309 0.5515 0.346 Uiso 0.265(9) 1 calc PR B 1
H13E H 0.2040 0.0687 0.5466 0.346 Uiso 0.265(9) 1 calc PR B 1
H13F H 0.1642 0.0621 0.5510 0.346 Uiso 0.265(9) 1 calc PR B 1
N131 N 0.1905(6) 0.0583(5) 0.5953(6) 0.190(12) Uani 0.265(9) 1 d PDU B 1
C41 C 0.09838(15) 0.16359(11) 0.68829(16) 0.115(3) Uani 1 1 d DU B .
C42 C 0.07358(18) 0.14455(19) 0.6716(2) 0.168(5) Uani 1 1 d DU . .
H42 H 0.0762 0.1405 0.6480 0.201 Uiso 1 1 calc R B .
C43 C 0.04620(19) 0.1317(2) 0.6874(2) 0.179(5) Uani 1 1 d DU B .
H43 H 0.0304 0.1189 0.6745 0.215 Uiso 1 1 calc R . .
C44 C 0.03987(19) 0.13622(19) 0.7225(2) 0.184(5) Uani 1 1 d DU . .
C45 C 0.06502(18) 0.1556(2) 0.7394(2) 0.151(4) Uani 1 1 d DU B .
H45 H 0.0626 0.1600 0.7629 0.181 Uiso 1 1 calc R . .
C46 C 0.09199(17) 0.16794(19) 0.72304(17) 0.121(3) Uani 1 1 d DU . .
H46 H 0.1080 0.1805 0.7359 0.145 Uiso 1 1 calc R B .
C47 C -0.0069(4) 0.0943(5) 0.7256(4) 0.370(14) Uani 1 1 d DU . .
H47A H -0.0279 0.0912 0.7385 0.555 Uiso 1 1 calc R B .
H47B H 0.0069 0.0738 0.7273 0.555 Uiso 1 1 calc R . .
H47C H -0.0124 0.0986 0.7018 0.555 Uiso 1 1 calc R . .
C48 C 0.0114(3) 0.1252(4) 0.7773(3) 0.253(8) Uani 1 1 d DU . .
H48A H 0.0328 0.1165 0.7865 0.379 Uiso 1 1 calc R B .
H48B H -0.0075 0.1115 0.7858 0.379 Uiso 1 1 calc R . .
H48C H 0.0083 0.1488 0.7845 0.379 Uiso 1 1 calc R . .
N41 N 0.0123(2) 0.1236(2) 0.7396(3) 0.263(7) Uani 1 1 d DU B .
C51 C 0.0417(2) 0.4002(3) 0.71268(18) 0.135(6) Uani 0.568(9) 1 d PDU A 2
C52 C 0.0147(3) 0.3832(3) 0.6968(4) 0.155(6) Uani 0.568(9) 1 d PDU A 2
H52 H 0.0131 0.3593 0.6997 0.187 Uiso 0.568(9) 1 calc PR A 2
C53 C -0.0089(3) 0.3986(3) 0.6777(4) 0.166(7) Uani 0.568(9) 1 d PDU A 2
H53 H -0.0263 0.3852 0.6679 0.199 Uiso 0.568(9) 1 calc PR A 2
C54 C -0.0092(3) 0.4341(3) 0.6717(3) 0.179(7) Uani 0.568(9) 1 d PDU A 2
C55 C 0.0182(3) 0.4512(3) 0.6878(4) 0.201(9) Uani 0.568(9) 1 d PDU A 2
H55 H 0.0200 0.4750 0.6850 0.242 Uiso 0.568(9) 1 calc PR A 2
C56 C 0.0415(3) 0.4352(3) 0.7067(4) 0.177(7) Uani 0.568(9) 1 d PDU A 2
H56 H 0.0590 0.4485 0.7166 0.213 Uiso 0.568(9) 1 calc PR A 2
C57 C -0.0629(5) 0.4319(5) 0.6386(8) 0.248(15) Uani 0.568(9) 1 d PDU A 2
H57A H -0.0822 0.4475 0.6373 0.372 Uiso 0.568(9) 1 calc PR A 2
H57B H -0.0686 0.4128 0.6534 0.372 Uiso 0.568(9) 1 calc PR A 2
H57C H -0.0576 0.4234 0.6158 0.372 Uiso 0.568(9) 1 calc PR A 2
C58 C -0.0267(5) 0.4832(5) 0.6357(7) 0.220(12) Uani 0.568(9) 1 d PDU A 2
H58A H -0.0387 0.5012 0.6479 0.329 Uiso 0.568(9) 1 calc PR A 2
H58B H -0.0348 0.4823 0.6122 0.329 Uiso 0.568(9) 1 calc PR A 2
H58C H -0.0023 0.4880 0.6358 0.329 Uiso 0.568(9) 1 calc PR A 2
N51 N -0.0330(3) 0.4501(3) 0.6524(3) 0.170(7) Uani 0.568(9) 1 d PDU A 2
C151 C 0.0534(5) 0.3960(2) 0.7021(4) 0.152(6) Uani 0.432(9) 1 d PDU A 1
C152 C 0.0183(5) 0.3969(4) 0.7081(3) 0.177(8) Uani 0.432(9) 1 d PDU A 1
H152 H 0.0101 0.3878 0.7289 0.213 Uiso 0.432(9) 1 calc PR A 1
C153 C -0.0044(4) 0.4099(5) 0.6863(4) 0.169(7) Uani 0.432(9) 1 d PDU A 1
H153 H -0.0277 0.4096 0.6923 0.203 Uiso 0.432(9) 1 calc PR A 1
C154 C 0.0052(4) 0.4242(3) 0.6547(4) 0.174(8) Uani 0.432(9) 1 d PDU A 1
C155 C 0.0407(4) 0.4232(5) 0.6486(4) 0.170(9) Uani 0.432(9) 1 d PDU A 1
H155 H 0.0491 0.4322 0.6279 0.204 Uiso 0.432(9) 1 calc PR A 1
C156 C 0.0628(4) 0.4100(5) 0.6708(5) 0.156(8) Uani 0.432(9) 1 d PDU A 1
H156 H 0.0862 0.4103 0.6651 0.187 Uiso 0.432(9) 1 calc PR A 1
C157 C -0.0491(5) 0.4182(6) 0.6236(7) 0.219(17) Uani 0.432(9) 1 d PDU A 1
H15A H -0.0567 0.4054 0.6435 0.329 Uiso 0.432(9) 1 calc PR A 1
H15B H -0.0442 0.4025 0.6050 0.329 Uiso 0.432(9) 1 calc PR A 1
H15C H -0.0669 0.4340 0.6167 0.329 Uiso 0.432(9) 1 calc PR A 1
C158 C -0.0071(6) 0.4606(7) 0.6046(6) 0.234(18) Uani 0.432(9) 1 d PDU A 1
H15D H -0.0257 0.4763 0.5992 0.352 Uiso 0.432(9) 1 calc PR A 1
H15E H -0.0014 0.4473 0.5844 0.352 Uiso 0.432(9) 1 calc PR A 1
H15F H 0.0128 0.4736 0.6118 0.352 Uiso 0.432(9) 1 calc PR A 1
N151 N -0.0178(4) 0.4374(4) 0.6323(4) 0.167(8) Uani 0.432(9) 1 d PDU A 1
C61 C 0.05500(18) 0.3794(7) 0.7784(3) 0.135(6) Uani 0.486(17) 1 d PDU A 1
C62 C 0.0445(4) 0.4094(6) 0.7944(4) 0.178(8) Uani 0.486(17) 1 d PDU A 1
H62 H 0.0470 0.4302 0.7824 0.213 Uiso 0.486(17) 1 calc PR A 1
C63 C 0.0310(5) 0.4105(5) 0.8257(5) 0.211(8) Uani 0.486(17) 1 d PDU A 1
H63 H 0.0245 0.4319 0.8348 0.253 Uiso 0.486(17) 1 calc PR A 1
C64 C 0.0262(4) 0.3809(6) 0.8456(3) 0.232(9) Uani 0.486(17) 1 d PDU A 1
C65 C 0.0368(4) 0.3506(6) 0.8293(4) 0.211(8) Uani 0.486(17) 1 d PDU A 1
H65 H 0.0343 0.3297 0.8411 0.253 Uiso 0.486(17) 1 calc PR A 1
C66 C 0.0501(4) 0.3502(6) 0.7981(4) 0.168(8) Uani 0.486(17) 1 d PDU A 1
H66 H 0.0567 0.3290 0.7887 0.202 Uiso 0.486(17) 1 calc PR A 1
C67 C -0.0048(7) 0.4133(7) 0.8893(6) 0.247(15) Uani 0.486(17) 1 d PDU A 1
H67A H -0.0259 0.4167 0.8765 0.370 Uiso 0.486(17) 1 calc PR A 1
H67B H 0.0103 0.4327 0.8857 0.370 Uiso 0.486(17) 1 calc PR A 1
H67C H -0.0101 0.4113 0.9135 0.370 Uiso 0.486(17) 1 calc PR A 1
C68 C -0.0054(6) 0.3508(7) 0.8906(6) 0.309(15) Uani 0.486(17) 1 d PDU A 1
H68A H 0.0065 0.3425 0.9108 0.464 Uiso 0.486(17) 1 calc PR A 1
H68B H -0.0054 0.3332 0.8731 0.464 Uiso 0.486(17) 1 calc PR A 1
H68C H -0.0288 0.3566 0.8966 0.464 Uiso 0.486(17) 1 calc PR A 1
N61 N 0.0121(4) 0.3817(7) 0.8774(4) 0.260(10) Uani 0.486(17) 1 d PDU A 1
C161 C 0.0519(2) 0.3714(7) 0.7787(3) 0.136(6) Uani 0.514(17) 1 d PDU A 2
C162 C 0.0463(5) 0.3966(6) 0.8033(5) 0.188(8) Uani 0.514(17) 1 d PDU A 2
H162 H 0.0540 0.4189 0.7985 0.225 Uiso 0.514(17) 1 calc PR A 2
C163 C 0.0308(6) 0.3911(6) 0.8331(5) 0.217(8) Uani 0.514(17) 1 d PDU A 2
H163 H 0.0280 0.4095 0.8484 0.260 Uiso 0.514(17) 1 calc PR A 2
C164 C 0.0184(4) 0.3586(6) 0.8425(4) 0.237(9) Uani 0.514(17) 1 d PDU A 2
C165 C 0.0240(5) 0.3331(5) 0.8177(5) 0.213(9) Uani 0.514(17) 1 d PDU A 2
H165 H 0.0165 0.3106 0.8223 0.256 Uiso 0.514(17) 1 calc PR A 2
C166 C 0.0397(5) 0.3394(6) 0.7882(4) 0.171(8) Uani 0.514(17) 1 d PDU A 2
H166 H 0.0426 0.3211 0.7728 0.205 Uiso 0.514(17) 1 calc PR A 2
C167 C -0.0143(10) 0.3801(8) 0.8917(7) 0.297(16) Uani 0.514(17) 1 d PDU A 2
H16A H 0.0010 0.3997 0.8926 0.446 Uiso 0.514(17) 1 calc PR A 2
H16B H -0.0195 0.3725 0.9148 0.446 Uiso 0.514(17) 1 calc PR A 2
H16C H -0.0354 0.3866 0.8802 0.446 Uiso 0.514(17) 1 calc PR A 2
C168 C -0.0160(10) 0.3191(7) 0.8766(8) 0.299(18) Uani 0.514(17) 1 d PDU A 2
H16D H -0.0342 0.3217 0.8934 0.449 Uiso 0.514(17) 1 calc PR A 2
H16E H 0.0000 0.3017 0.8844 0.449 Uiso 0.514(17) 1 calc PR A 2
H16F H -0.0257 0.3123 0.8548 0.449 Uiso 0.514(17) 1 calc PR A 2
N161 N 0.0022(5) 0.3520(7) 0.8726(4) 0.289(11) Uani 0.514(17) 1 d PDU A 2
C71 C 0.23967(12) 0.15363(11) 0.73944(17) 0.087(2) Uani 1 1 d DU B .
C72 C 0.26306(17) 0.13596(15) 0.75955(18) 0.113(3) Uani 1 1 d DU . .
H72 H 0.2639 0.1409 0.7831 0.136 Uiso 1 1 calc R B .
C73 C 0.28429(17) 0.11247(16) 0.74721(19) 0.105(3) Uani 1 1 d DU B .
H73 H 0.2995 0.1014 0.7623 0.126 Uiso 1 1 calc R . .
C74 C 0.28476(17) 0.10352(16) 0.71224(17) 0.135(4) Uani 1 1 d DU . .
C75 C 0.26105(17) 0.12152(16) 0.69202(17) 0.100(3) Uani 1 1 d DU B .
H75 H 0.2601 0.1169 0.6684 0.120 Uiso 1 1 calc R . .
C76 C 0.23992(16) 0.14483(16) 0.70507(18) 0.102(3) Uani 1 1 d DU . .
H76 H 0.2244 0.1559 0.6903 0.123 Uiso 1 1 calc R B .
C77 C 0.3325(3) 0.0625(3) 0.7195(3) 0.213(7) Uani 1 1 d DU . .
H77A H 0.3526 0.0770 0.7213 0.320 Uiso 1 1 calc R B .
H77B H 0.3386 0.0411 0.7085 0.320 Uiso 1 1 calc R . .
H77C H 0.3236 0.0579 0.7422 0.320 Uiso 1 1 calc R . .
C78 C 0.3034(4) 0.0675(3) 0.6638(2) 0.241(8) Uani 1 1 d DU . .
H78A H 0.2807 0.0579 0.6603 0.361 Uiso 1 1 calc R B .
H78B H 0.3205 0.0500 0.6597 0.361 Uiso 1 1 calc R . .
H78C H 0.3068 0.0864 0.6480 0.361 Uiso 1 1 calc R . .
N71 N 0.30638(18) 0.07997(16) 0.6991(2) 0.161(4) Uani 1 1 d DU B .
C81 C 0.1887(7) 0.1613(3) 0.7871(6) 0.104(5) Uani 0.39(3) 1 d PDU B 1
C82 C 0.1570(7) 0.1454(6) 0.7844(6) 0.115(7) Uani 0.39(3) 1 d PDU B 1
H82 H 0.1453 0.1469 0.7634 0.138 Uiso 0.39(3) 1 calc PR B 1
C83 C 0.1422(6) 0.1282(6) 0.8098(6) 0.131(7) Uani 0.39(3) 1 d PDU B 1
H83 H 0.1207 0.1180 0.8060 0.157 Uiso 0.39(3) 1 calc PR B 1
C84 C 0.1576(7) 0.1246(6) 0.8422(5) 0.148(7) Uani 0.39(3) 1 d PDU B 1
C85 C 0.1897(7) 0.1406(8) 0.8450(6) 0.141(8) Uani 0.39(3) 1 d PDU B 1
H85 H 0.2016 0.1393 0.8659 0.169 Uiso 0.39(3) 1 calc PR B 1
C86 C 0.2039(6) 0.1576(6) 0.8191(7) 0.119(7) Uani 0.39(3) 1 d PDU B 1
H86 H 0.2254 0.1677 0.8227 0.143 Uiso 0.39(3) 1 calc PR B 1
C87 C 0.1108(9) 0.0880(12) 0.8628(11) 0.203(15) Uani 0.39(3) 1 d PDU B 1
H87A H 0.0925 0.1039 0.8576 0.305 Uiso 0.39(3) 1 calc PR B 1
H87B H 0.1051 0.0752 0.8834 0.305 Uiso 0.39(3) 1 calc PR B 1
H87C H 0.1138 0.0722 0.8439 0.305 Uiso 0.39(3) 1 calc PR B 1
C88 C 0.1643(12) 0.0920(10) 0.8955(7) 0.195(16) Uani 0.39(3) 1 d PDU B 1
H88A H 0.1882 0.0933 0.8889 0.292 Uiso 0.39(3) 1 calc PR B 1
H88B H 0.1580 0.0682 0.8988 0.292 Uiso 0.39(3) 1 calc PR B 1
H88C H 0.1609 0.1044 0.9167 0.292 Uiso 0.39(3) 1 calc PR B 1
N81 N 0.1429(9) 0.1071(7) 0.8684(6) 0.159(9) Uani 0.39(3) 1 d PDU B 1
C181 C 0.1888(4) 0.1642(3) 0.7888(4) 0.101(4) Uani 0.61(3) 1 d PDU B 2
C182 C 0.1605(4) 0.1452(4) 0.7786(4) 0.105(5) Uani 0.61(3) 1 d PDU B 2
H182 H 0.1551 0.1444 0.7551 0.127 Uiso 0.61(3) 1 calc PR B 2
C183 C 0.1407(4) 0.1279(4) 0.8002(4) 0.127(5) Uani 0.61(3) 1 d PDU B 2
H183 H 0.1220 0.1155 0.7914 0.152 Uiso 0.61(3) 1 calc PR B 2
C184 C 0.1465(4) 0.1274(4) 0.8358(4) 0.144(6) Uani 0.61(3) 1 d PDU B 2
C185 C 0.1751(5) 0.1467(4) 0.8461(4) 0.129(6) Uani 0.61(3) 1 d PDU B 2
H185 H 0.1807 0.1476 0.8695 0.155 Uiso 0.61(3) 1 calc PR B 2
C186 C 0.1946(5) 0.1637(4) 0.8239(5) 0.113(5) Uani 0.61(3) 1 d PDU B 2
H186 H 0.2134 0.1761 0.8324 0.135 Uiso 0.61(3) 1 calc PR B 2
C187 C 0.0993(6) 0.0870(7) 0.8436(8) 0.215(13) Uani 0.61(3) 1 d PDU B 2
H18D H 0.0793 0.1004 0.8375 0.322 Uiso 0.61(3) 1 calc PR B 2
H18E H 0.0930 0.0700 0.8607 0.322 Uiso 0.61(3) 1 calc PR B 2
H18F H 0.1080 0.0755 0.8233 0.322 Uiso 0.61(3) 1 calc PR B 2
C188 C 0.1386(9) 0.0981(7) 0.8912(5) 0.236(13) Uani 0.61(3) 1 d PDU B 2
H18G H 0.1618 0.1064 0.8947 0.354 Uiso 0.61(3) 1 calc PR B 2
H18H H 0.1385 0.0733 0.8920 0.354 Uiso 0.61(3) 1 calc PR B 2
H18I H 0.1239 0.1070 0.9091 0.354 Uiso 0.61(3) 1 calc PR B 2
N181 N 0.1260(5) 0.1097(4) 0.8576(5) 0.156(7) Uani 0.61(3) 1 d PDU B 2
C91 C 0.1169(3) 0.2472(4) 0.8070(3) 0.112(8) Uani 0.145(7) 1 d PDU A 1
C92 C 0.0939(8) 0.2642(7) 0.8267(6) 0.121(11) Uani 0.145(7) 1 d PDU A 1
H92 H 0.0850 0.2854 0.8195 0.145 Uiso 0.145(7) 1 calc PR A 1
C93 C 0.0842(8) 0.2505(8) 0.8566(6) 0.138(14) Uani 0.145(7) 1 d PDU A 1
H93 H 0.0682 0.2631 0.8695 0.166 Uiso 0.145(7) 1 calc PR A 1
C94 C 0.0949(5) 0.2204(7) 0.8703(5) 0.127(12) Uani 0.145(7) 1 d PDU A 1
C95 C 0.1185(10) 0.2027(7) 0.8503(7) 0.130(10) Uani 0.145(7) 1 d PDU A 1
H95 H 0.1272 0.1816 0.8578 0.156 Uiso 0.145(7) 1 calc PR A 1
C96 C 0.1297(9) 0.2171(6) 0.8173(6) 0.119(9) Uani 0.145(7) 1 d PDU A 1
H96 H 0.1457 0.2052 0.8036 0.143 Uiso 0.145(7) 1 calc PR A 1
C97 C 0.0831(5) 0.2059(8) 0.9043(5) 0.15(2) Uani 0.145(7) 1 d PDU A 1
H97A H 0.0588 0.2008 0.9032 0.224 Uiso 0.145(7) 1 calc PR A 1
H97B H 0.0871 0.2227 0.9223 0.224 Uiso 0.145(7) 1 calc PR A 1
H97C H 0.0958 0.1852 0.9094 0.224 Uiso 0.145(7) 1 calc PR A 1
C191 C 0.1025(3) 0.2409(2) 0.7940(2) 0.117(4) Uani 0.855(7) 1 d PDU A 2
C192 C 0.0679(3) 0.2428(3) 0.7925(3) 0.125(5) Uani 0.855(7) 1 d PDU A 2
H192 H 0.0572 0.2576 0.7768 0.150 Uiso 0.855(7) 1 calc PR A 2
C193 C 0.0491(4) 0.2233(3) 0.8136(3) 0.153(6) Uani 0.855(7) 1 d PDU A 2
H193 H 0.0252 0.2253 0.8117 0.184 Uiso 0.855(7) 1 calc PR A 2
C194 C 0.0610(4) 0.2010(3) 0.8374(3) 0.155(6) Uani 0.855(7) 1 d PDU A 2
C195 C 0.0965(4) 0.1988(3) 0.8392(3) 0.133(4) Uani 0.855(7) 1 d PDU A 2
H195 H 0.1068 0.1839 0.8550 0.159 Uiso 0.855(7) 1 calc PR A 2
C196 C 0.1179(3) 0.2199(3) 0.8164(3) 0.111(4) Uani 0.855(7) 1 d PDU A 2
H196 H 0.1419 0.2187 0.8176 0.133 Uiso 0.855(7) 1 calc PR A 2
C197 C 0.0387(4) 0.1796(3) 0.8609(3) 0.233(10) Uani 0.855(7) 1 d PDU A 2
H19A H 0.0383 0.1898 0.8835 0.349 Uiso 0.855(7) 1 calc PR A 2
H19B H 0.0479 0.1565 0.8623 0.349 Uiso 0.855(7) 1 calc PR A 2
H19C H 0.0156 0.1787 0.8518 0.349 Uiso 0.855(7) 1 calc PR A 2
O91 O 0.11007(15) 0.29694(15) 0.76185(14) 0.0915(17) Uani 1 1 d U . .
O92 O 0.12997(15) 0.24320(17) 0.73712(17) 0.112(2) Uani 1 1 d U . .
O93 O 0.16262(15) 0.2697(2) 0.78258(15) 0.112(2) Uani 1 1 d U . .
S91 S 0.12971(6) 0.26504(7) 0.76781(6) 0.0925(8) Uani 1 1 d DU A .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P1 Ag1 P3 144.02(9) . .
P1 Ag1 O91 110.71(15) . .
P3 Ag1 O91 96.08(15) . .
P4 Ag2 P2 141.65(9) . .
P4 Ag2 O92 110.41(16) . .
P2 Ag2 O92 95.59(16) . .
C4 C1 P1 121.4(6) . .
C4 C1 H1A 107.0 . .
P1 C1 H1A 107.0 . .
C4 C1 H1B 107.0 . .
P1 C1 H1B 107.0 . .
H1A C1 H1B 106.7 . .
C4 C2 P2 123.0(6) . .
C4 C2 H2A 106.6 . .
P2 C2 H2A 106.6 . .
C4 C2 H2B 106.6 . .
P2 C2 H2B 106.6 . .
H2A C2 H2B 106.5 . .
C4 C3 P3 122.1(6) 6_456 .
C4 C3 H3A 106.8 6_456 .
P3 C3 H3A 106.8 . .
C4 C3 H3B 106.8 6_456 .
P3 C3 H3B 106.8 . .
H3A C3 H3B 106.6 . .
C2 C4 C3 109.7(7) . 12_565
C2 C4 C1 109.0(7) . .
C3 C4 C1 109.6(7) 12_565 .
C2 C4 C5 110.8(7) . .
C3 C4 C5 106.9(7) 12_565 .
C1 C4 C5 110.9(7) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C21 P1 C1 102.2(4) . .
C21 P1 C111 102.5(3) . .
C1 P1 C111 101.9(5) . .
C21 P1 C11 104.9(5) . .
C1 P1 C11 112.5(10) . .
C1 P1 C121 96.7(6) . .
C111 P1 C121 126.5(8) . .
C11 P1 C121 127.8(8) . .
C21 P1 Ag1 103.9(3) . .
C1 P1 Ag1 122.6(3) . .
C111 P1 Ag1 120.6(5) . .
C11 P1 Ag1 108.7(11) . .
C121 P1 Ag1 87.8(5) . .
C2 P2 C41 107.0(3) . .
C2 P2 C31 106.6(4) . .
C41 P2 C31 110.2(4) . .
C2 P2 C131 102.9(5) . .
C41 P2 C131 100.3(3) . .
C2 P2 Ag2 120.2(3) . .
C41 P2 Ag2 109.6(2) . .
C31 P2 Ag2 102.87(15) . .
C131 P2 Ag2 114.7(3) . .
C61 P3 C3 102.2(6) . .
C61 P3 C151 121.9(9) . .
C3 P3 C151 97.0(6) . .
C3 P3 C161 111.3(7) . .
C151 P3 C161 124.1(8) . .
C61 P3 C51 101.5(6) . .
C3 P3 C51 104.1(5) . .
C161 P3 C51 103.9(4) . .
C61 P3 Ag1 118.5(9) . .
C3 P3 Ag1 119.0(3) . .
C151 P3 Ag1 97.4(3) . .
C161 P3 Ag1 108.2(9) . .
C51 P3 Ag1 109.4(4) . .
C7 C6 P4 123.4(5) . .
C7 C6 H6A 106.5 . .
P4 C6 H6A 106.5 . .
C7 C6 H6B 106.5 . .
P4 C6 H6B 106.5 . .
H6A C6 H6B 106.5 . .
C6 C7 C6 109.7(6) 6_456 12_565
C6 C7 C6 109.7(6) 6_456 .
C6 C7 C6 109.7(6) 12_565 .
C6 C7 C8 109.3(6) 6_456 .
C6 C7 C8 109.3(6) 12_565 .
C6 C7 C8 109.3(6) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C71 P4 C181 104.9(3) . .
C71 P4 C81 101.4(4) . .
C71 P4 C6 106.3(3) . .
C181 P4 C6 104.1(7) . .
C81 P4 C6 107.7(10) . .
C71 P4 Ag2 111.4(2) . .
C181 P4 Ag2 109.7(6) . .
C81 P4 Ag2 109.1(10) . .
C6 P4 Ag2 119.4(3) . .
C16 C11 C12 113.7(6) . .
C16 C11 P1 135.9(17) . .
C12 C11 P1 110.4(16) . .
C13 C12 C11 123.8(6) . .
C13 C12 H12 118.1 . .
C11 C12 H12 118.1 . .
C12 C13 C14 122.4(6) . .
C12 C13 H13 118.8 . .
C14 C13 H13 118.8 . .
N11 C14 C15 123.3(5) . .
N11 C14 C13 122.8(5) . .
C15 C14 C13 113.9(6) . .
C16 C15 C14 122.4(6) . .
C16 C15 H15 118.8 . .
C14 C15 H15 118.8 . .
C15 C16 C11 123.8(6) . .
C15 C16 H16 118.1 . .
C11 C16 H16 118.1 . .
N11 C17 H17A 109.5 . .
N11 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
N11 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N11 C18 H18A 109.5 . .
N11 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N11 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C14 N11 C18 120.7(7) . .
C14 N11 C17 120.6(6) . .
C18 N11 C17 112.9(7) . .
C116 C111 C112 114.0(5) . .
C116 C111 P1 114.2(9) . .
C112 C111 P1 131.8(9) . .
C113 C112 C111 123.8(6) . .
C113 C112 H112 118.1 . .
C111 C112 H112 118.1 . .
C112 C113 C114 122.1(6) . .
C112 C113 H113 119.0 . .
C114 C113 H113 119.0 . .
N111 C114 C113 123.4(5) . .
N111 C114 C115 122.4(5) . .
C113 C114 C115 114.2(6) . .
C116 C115 C114 122.4(6) . .
C116 C115 H115 118.8 . .
C114 C115 H115 118.8 . .
C115 C116 C111 123.5(6) . .
C115 C116 H116 118.2 . .
C111 C116 H116 118.2 . .
N111 C117 H11A 109.5 . .
N111 C117 H11B 109.5 . .
H11A C117 H11B 109.5 . .
N111 C117 H11C 109.5 . .
H11A C117 H11C 109.5 . .
H11B C117 H11C 109.5 . .
N111 C118 H11D 109.5 . .
N111 C118 H11E 109.5 . .
H11D C118 H11E 109.5 . .
N111 C118 H11F 109.5 . .
H11D C118 H11F 109.5 . .
H11E C118 H11F 109.5 . .
C114 N111 C117 121.5(6) . .
C114 N111 C118 120.5(5) . .
C117 N111 C118 113.7(7) . .
C26 C21 C22 113.3(5) . .
C26 C21 P1 128.8(6) . .
C22 C21 P1 118.0(6) . .
C23 C22 C21 123.9(6) . .
C23 C22 H22 118.0 . .
C21 C22 H22 118.0 . .
C22 C23 C24 122.8(6) . .
C22 C23 H23 118.6 . .
C24 C23 H23 118.6 . .
N21 C24 C25 124.3(5) . .
N21 C24 C23 122.3(5) . .
C25 C24 C23 113.3(6) . .
C26 C25 C24 122.6(6) . .
C26 C25 H25 118.7 . .
C24 C25 H25 118.7 . .
C25 C26 C21 124.1(5) . .
C25 C26 H26 118.0 . .
C21 C26 H26 118.0 . .
N21 C27 H27A 109.5 . .
N21 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
N21 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N21 C28 H28A 109.5 . .
N21 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
N21 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C24 N21 C28 122.7(5) . .
C24 N21 C27 121.4(5) . .
C28 N21 C27 114.4(6) . .
C126 C121 C122 113.2(6) . .
C126 C121 P1 97.9(12) . .
C122 C121 P1 148.9(12) . .
C123 C122 C121 124.0(6) . .
C123 C122 H122 118.0 . .
C121 C122 H122 118.0 . .
C122 C123 C124 122.8(6) . .
C122 C123 H123 118.6 . .
C124 C123 H123 118.6 . .
N121 C124 C123 123.7(6) . .
N121 C124 C125 123.1(6) . .
C123 C124 C125 113.2(6) . .
C126 C125 C124 122.7(6) . .
C126 C125 H125 118.6 . .
C124 C125 H125 118.6 . .
C125 C126 C121 124.1(6) . .
C125 C126 H126 118.0 . .
C121 C126 H126 118.0 . .
N121 C127 H12A 109.5 . .
N121 C127 H12B 109.5 . .
H12A C127 H12B 109.5 . .
N121 C127 H12C 109.5 . .
H12A C127 H12C 109.5 . .
H12B C127 H12C 109.5 . .
N121 C128 H12D 109.5 . .
N121 C128 H12E 109.5 . .
H12D C128 H12E 109.5 . .
N121 C128 H12F 109.5 . .
H12D C128 H12F 109.5 . .
H12E C128 H12F 109.5 . .
C124 N121 C127 121.7(7) . .
C124 N121 C128 121.2(7) . .
C127 N121 C128 113.0(7) . .
C36 C31 C32 113.5(5) . .
C36 C31 P2 124.6(7) . .
C32 C31 P2 121.9(7) . .
C33 C32 C31 124.0(6) . .
C33 C32 H32 118.0 . .
C31 C32 H32 118.0 . .
C32 C33 C34 122.4(6) . .
C32 C33 H33 118.8 . .
C34 C33 H33 118.8 . .
N31 C34 C35 124.2(5) . .
N31 C34 C33 122.5(5) . .
C35 C34 C33 113.2(6) . .
C36 C35 C34 123.2(6) . .
C36 C35 H35 118.4 . .
C34 C35 H35 118.4 . .
C35 C36 C31 123.6(6) . .
C35 C36 H36 118.2 . .
C31 C36 H36 118.2 . .
N31 C37 H37A 109.5 . .
N31 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
N31 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
N31 C38 H38A 109.5 . .
N31 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
N31 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C34 N31 C38 122.2(6) . .
C34 N31 C37 120.5(6) . .
C38 N31 C37 113.0(7) . .
C136 C131 C132 113.4(6) . .
C136 C131 P2 124.1(5) . .
C132 C131 P2 122.5(5) . .
C133 C132 C131 124.0(6) . .
C133 C132 H132 118.0 . .
C131 C132 H132 118.0 . .
C132 C133 C134 122.9(6) . .
C132 C133 H133 118.5 . .
C134 C133 H133 118.5 . .
N131 C134 C133 123.8(5) . .
N131 C134 C135 123.2(5) . .
C133 C134 C135 113.0(6) . .
C136 C135 C134 122.9(6) . .
C136 C135 H135 118.6 . .
C134 C135 H135 118.6 . .
C135 C136 C131 123.9(6) . .
C135 C136 H136 118.1 . .
C131 C136 H136 118.1 . .
N131 C137 H13A 109.5 . .
N131 C137 H13B 109.5 . .
H13A C137 H13B 109.5 . .
N131 C137 H13C 109.5 . .
H13A C137 H13C 109.5 . .
H13B C137 H13C 109.5 . .
N131 C138 H13D 109.5 . .
N131 C138 H13E 109.5 . .
H13D C138 H13E 109.5 . .
N131 C138 H13F 109.5 . .
H13D C138 H13F 109.5 . .
H13E C138 H13F 109.5 . .
C134 N131 C137 122.7(6) . .
C134 N131 C138 121.2(6) . .
C137 N131 C138 112.2(7) . .
C42 C41 C46 113.6(5) . .
C42 C41 P2 125.8(4) . .
C46 C41 P2 120.5(4) . .
C43 C42 C41 123.0(5) . .
C43 C42 H42 118.5 . .
C41 C42 H42 118.5 . .
C42 C43 C44 123.1(6) . .
C42 C43 H43 118.5 . .
C44 C43 H43 118.5 . .
N41 C44 C45 121.4(5) . .
N41 C44 C43 124.9(5) . .
C45 C44 C43 113.7(6) . .
C46 C45 C44 121.9(6) . .
C46 C45 H45 119.1 . .
C44 C45 H45 119.1 . .
C45 C46 C41 124.7(5) . .
C45 C46 H46 117.6 . .
C41 C46 H46 117.6 . .
N41 C47 H47A 109.5 . .
N41 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
N41 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
N41 C48 H48A 109.5 . .
N41 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
N41 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C44 N41 C47 120.3(5) . .
C44 N41 C48 119.5(5) . .
C47 N41 C48 113.1(6) . .
C56 C51 C52 113.0(6) . .
C56 C51 P3 126.7(8) . .
C52 C51 P3 120.3(8) . .
C53 C52 C51 124.0(6) . .
C53 C52 H52 118.0 . .
C51 C52 H52 118.0 . .
C52 C53 C54 122.9(6) . .
C52 C53 H53 118.5 . .
C54 C53 H53 118.5 . .
N51 C54 C55 123.6(5) . .
N51 C54 C53 123.5(5) . .
C55 C54 C53 112.9(6) . .
C56 C55 C54 123.1(6) . .
C56 C55 H55 118.5 . .
C54 C55 H55 118.5 . .
C55 C56 C51 124.1(6) . .
C55 C56 H56 118.0 . .
C51 C56 H56 118.0 . .
N51 C57 H57A 109.5 . .
N51 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
N51 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
N51 C58 H58A 109.5 . .
N51 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
N51 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C54 N51 C57 122.0(5) . .
C54 N51 C58 122.5(6) . .
C57 N51 C58 113.3(7) . .
C156 C151 C152 113.5(6) . .
C156 C151 P3 139.2(11) . .
C152 C151 P3 107.3(11) . .
C153 C152 C151 124.0(6) . .
C153 C152 H152 118.0 . .
C151 C152 H152 118.0 . .
C152 C153 C154 122.5(6) . .
C152 C153 H153 118.8 . .
C154 C153 H153 118.8 . .
N151 C154 C155 123.7(5) . .
N151 C154 C153 122.7(5) . .
C155 C154 C153 113.6(6) . .
C156 C155 C154 122.7(6) . .
C156 C155 H155 118.6 . .
C154 C155 H155 118.6 . .
C155 C156 C151 123.7(6) . .
C155 C156 H156 118.1 . .
C151 C156 H156 118.1 . .
N151 C157 H15A 109.5 . .
N151 C157 H15B 109.5 . .
H15A C157 H15B 109.5 . .
N151 C157 H15C 109.5 . .
H15A C157 H15C 109.5 . .
H15B C157 H15C 109.5 . .
N151 C158 H15D 109.5 . .
N151 C158 H15E 109.5 . .
H15D C158 H15E 109.5 . .
N151 C158 H15F 109.5 . .
H15D C158 H15F 109.5 . .
H15E C158 H15F 109.5 . .
C154 N151 C158 121.3(6) . .
C154 N151 C157 120.2(6) . .
C158 N151 C157 112.3(7) . .
C62 C61 C66 113.9(6) . .
C62 C61 P3 125.8(13) . .
C66 C61 P3 120.3(13) . .
C63 C62 C61 123.8(6) . .
C63 C62 H62 118.1 . .
C61 C62 H62 118.1 . .
C62 C63 C64 122.3(6) . .
C62 C63 H63 118.8 . .
C64 C63 H63 118.8 . .
N61 C64 C63 122.9(5) . .
N61 C64 C65 123.3(5) . .
C63 C64 C65 113.8(6) . .
C66 C65 C64 122.7(6) . .
C66 C65 H65 118.7 . .
C64 C65 H65 118.7 . .
C65 C66 C61 123.5(6) . .
C65 C66 H66 118.2 . .
C61 C66 H66 118.2 . .
N61 C67 H67A 109.5 . .
N61 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
N61 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
N61 C68 H68A 109.5 . .
N61 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
N61 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C64 N61 C67 119.1(6) . .
C64 N61 C68 119.2(6) . .
C67 N61 C68 111.3(7) . .
C166 C161 C162 113.5(6) . .
C166 C161 P3 119.3(13) . .
C162 C161 P3 127.1(13) . .
C163 C162 C161 124.1(6) . .
C163 C162 H162 117.9 . .
C161 C162 H162 117.9 . .
C162 C163 C164 122.1(6) . .
C162 C163 H163 118.9 . .
C164 C163 H163 118.9 . .
N161 C164 C163 123.8(5) . .
N161 C164 C165 122.2(5) . .
C163 C164 C165 114.0(6) . .
C166 C165 C164 122.4(6) . .
C166 C165 H165 118.8 . .
C164 C165 H165 118.8 . .
C165 C166 C161 123.8(6) . .
C165 C166 H166 118.1 . .
C161 C166 H166 118.1 . .
N161 C167 H16A 109.5 . .
N161 C167 H16B 109.5 . .
H16A C167 H16B 109.5 . .
N161 C167 H16C 109.5 . .
H16A C167 H16C 109.5 . .
H16B C167 H16C 109.5 . .
N161 C168 H16D 109.5 . .
N161 C168 H16E 109.5 . .
H16D C168 H16E 109.5 . .
N161 C168 H16F 109.5 . .
H16D C168 H16F 109.5 . .
H16E C168 H16F 109.5 . .
C164 N161 C167 120.0(6) . .
C164 N161 C168 118.8(6) . .
C167 N161 C168 112.4(7) . .
C76 C71 C72 114.9(5) . .
C76 C71 P4 121.2(5) . .
C72 C71 P4 123.9(5) . .
C73 C72 C71 123.3(5) . .
C73 C72 H72 118.3 . .
C71 C72 H72 118.3 . .
C72 C73 C74 122.1(5) . .
C72 C73 H73 119.0 . .
C74 C73 H73 119.0 . .
N71 C74 C75 122.7(5) . .
N71 C74 C73 123.0(5) . .
C75 C74 C73 114.3(5) . .
C76 C75 C74 122.4(5) . .
C76 C75 H75 118.8 . .
C74 C75 H75 118.8 . .
C75 C76 C71 123.0(5) . .
C75 C76 H76 118.5 . .
C71 C76 H76 118.5 . .
N71 C77 H77A 109.5 . .
N71 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
N71 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
N71 C78 H78A 109.5 . .
N71 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
N71 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C74 N71 C77 123.2(5) . .
C74 N71 C78 122.2(5) . .
C77 N71 C78 114.4(6) . .
C82 C81 C86 113.7(6) . .
C82 C81 P4 128.3(16) . .
C86 C81 P4 117.9(16) . .
C83 C82 C81 123.8(6) . .
C83 C82 H82 118.1 . .
C81 C82 H82 118.1 . .
C82 C83 C84 122.5(6) . .
C82 C83 H83 118.8 . .
C84 C83 H83 118.8 . .
N81 C84 C83 123.2(5) . .
N81 C84 C85 123.0(5) . .
C83 C84 C85 113.8(6) . .
C86 C85 C84 122.4(6) . .
C86 C85 H85 118.8 . .
C84 C85 H85 118.8 . .
C85 C86 C81 123.8(6) . .
C85 C86 H86 118.1 . .
C81 C86 H86 118.1 . .
N81 C87 H87A 109.5 . .
N81 C87 H87B 109.5 . .
H87A C87 H87B 109.5 . .
N81 C87 H87C 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
N81 C88 H88A 109.5 . .
N81 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
N81 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
C84 N81 C87 120.2(6) . .
C84 N81 C88 120.2(6) . .
C87 N81 C88 112.7(7) . .
C182 C181 C186 113.9(5) . .
C182 C181 P4 115.3(11) . .
C186 C181 P4 130.8(11) . .
C183 C182 C181 123.5(6) . .
C183 C182 H182 118.2 . .
C181 C182 H182 118.2 . .
C182 C183 C184 122.6(6) . .
C182 C183 H183 118.7 . .
C184 C183 H183 118.7 . .
N181 C184 C185 124.2(5) . .
N181 C184 C183 122.0(5) . .
C185 C184 C183 113.8(6) . .
C186 C185 C184 122.3(6) . .
C186 C185 H185 118.8 . .
C184 C185 H185 118.8 . .
C185 C186 C181 123.8(6) . .
C185 C186 H186 118.1 . .
C181 C186 H186 118.1 . .
N181 C187 H18D 109.5 . .
N181 C187 H18E 109.5 . .
H18D C187 H18E 109.5 . .
N181 C187 H18F 109.5 . .
H18D C187 H18F 109.5 . .
H18E C187 H18F 109.5 . .
N181 C188 H18G 109.5 . .
N181 C188 H18H 109.5 . .
H18G C188 H18H 109.5 . .
N181 C188 H18I 109.5 . .
H18G C188 H18I 109.5 . .
H18H C188 H18I 109.5 . .
C184 N181 C188 121.2(6) . .
C184 N181 C187 119.4(6) . .
C188 N181 C187 112.4(6) . .
C96 C91 C92 120.5(12) . .
C96 C91 S91 120.2(10) . .
C92 C91 S91 119.4(10) . .
C93 C92 C91 119.1(14) . .
C93 C92 H92 120.4 . .
C91 C92 H92 120.4 . .
C92 C93 C94 127.1(15) . .
C92 C93 H93 116.5 . .
C94 C93 H93 116.5 . .
C93 C94 C95 114.3(14) . .
C93 C94 C97 125.1(16) . .
C95 C94 C97 120.6(15) . .
C94 C95 C96 120.1(14) . .
C94 C95 H95 120.0 . .
C96 C95 H95 120.0 . .
C91 C96 C95 118.9(13) . .
C91 C96 H96 120.5 . .
C95 C96 H96 120.5 . .
C94 C97 H97A 109.5 . .
C94 C97 H97B 109.5 . .
H97A C97 H97B 109.5 . .
C94 C97 H97C 109.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
C196 C191 C192 120.7(11) . .
C196 C191 S91 115.9(10) . .
C192 C191 S91 123.4(10) . .
C193 C192 C191 119.1(12) . .
C193 C192 H192 120.4 . .
C191 C192 H192 120.4 . .
C192 C193 C194 126.9(14) . .
C192 C193 H193 116.5 . .
C194 C193 H193 116.5 . .
C193 C194 C195 114.5(13) . .
C193 C194 C197 124.9(15) . .
C195 C194 C197 120.6(14) . .
C194 C195 C196 120.1(13) . .
C194 C195 H195 120.0 . .
C196 C195 H195 120.0 . .
C191 C196 C195 118.7(11) . .
C191 C196 H196 120.6 . .
C195 C196 H196 120.6 . .
C194 C197 H19A 109.5 . .
C194 C197 H19B 109.5 . .
H19A C197 H19B 109.5 . .
C194 C197 H19C 109.5 . .
H19A C197 H19C 109.5 . .
H19B C197 H19C 109.5 . .
S91 O91 Ag1 134.6(3) . .
S91 O92 Ag2 133.5(4) . .
O93 S91 O92 113.5(4) . .
O93 S91 O91 115.1(4) . .
O92 S91 O91 111.3(4) . .
O93 S91 C191 112.4(5) . .
O92 S91 C191 99.7(3) . .
O91 S91 C191 103.3(5) . .
O93 S91 C91 87.4(4) . .
O92 S91 C91 118.9(5) . .
O91 S91 C91 108.8(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 P1 2.404(2) .
Ag1 P3 2.412(3) .
Ag1 O91 2.421(6) .
Ag2 P4 2.393(2) .
Ag2 P2 2.402(2) .
Ag2 O92 2.489(6) .
C1 C4 1.574(11) .
C1 P1 1.787(8) .
C1 H1A 0.990 .
C1 H1B 0.990 .
C2 C4 1.506(11) .
C2 P2 1.766(8) .
C2 H2A 0.990 .
C2 H2B 0.990 .
C3 C4 1.563(10) 6_456
C3 P3 1.762(8) .
C3 H3A 0.990 .
C3 H3B 0.990 .
C4 C3 1.563(10) 12_565
C4 C5 1.587(11) .
C5 H5A 0.980 .
C5 H5B 0.980 .
C5 H5C 0.980 .
P1 C21 1.777(7) .
P1 C111 1.791(9) .
P1 C11 1.799(14) .
P1 C121 1.835(16) .
P2 C41 1.783(7) .
P2 C31 1.785(10) .
P2 C131 1.808(15) .
P3 C61 1.740(12) .
P3 C151 1.782(12) .
P3 C161 1.811(12) .
P3 C51 1.834(10) .
C6 C7 1.494(8) .
C6 P4 1.808(8) .
C6 H6A 0.990 .
C6 H6B 0.990 .
C7 C6 1.494(8) 6_456
C7 C6 1.494(8) 12_565
C7 C8 1.565(17) .
C8 H8A 0.980 .
C8 H8B 0.980 .
C8 H8C 0.980 .
P4 C71 1.783(6) .
P4 C181 1.785(10) .
P4 C81 1.796(14) .
C11 C16 1.403(5) .
C11 C12 1.404(5) .
C12 C13 1.343(5) .
C12 H12 0.950 .
C13 C14 1.421(5) .
C13 H13 0.950 .
C14 N11 1.369(7) .
C14 C15 1.420(5) .
C15 C16 1.343(5) .
C15 H15 0.950 .
C16 H16 0.950 .
C17 N11 1.488(5) .
C17 H17A 0.980 .
C17 H17B 0.980 .
C17 H17C 0.980 .
C18 N11 1.487(5) .
C18 H18A 0.980 .
C18 H18B 0.980 .
C18 H18C 0.980 .
C111 C116 1.402(5) .
C111 C112 1.404(5) .
C112 C113 1.344(5) .
C112 H112 0.950 .
C113 C114 1.420(5) .
C113 H113 0.950 .
C114 N111 1.367(6) .
C114 C115 1.421(5) .
C115 C116 1.344(5) .
C115 H115 0.950 .
C116 H116 0.950 .
C117 N111 1.485(5) .
C117 H11A 0.980 .
C117 H11B 0.980 .
C117 H11C 0.980 .
C118 N111 1.486(5) .
C118 H11D 0.980 .
C118 H11E 0.980 .
C118 H11F 0.980 .
C21 C26 1.403(5) .
C21 C22 1.407(5) .
C22 C23 1.340(5) .
C22 H22 0.950 .
C23 C24 1.422(5) .
C23 H23 0.950 .
C24 N21 1.366(6) .
C24 C25 1.421(5) .
C25 C26 1.345(5) .
C25 H25 0.950 .
C26 H26 0.950 .
C27 N21 1.484(5) .
C27 H27A 0.980 .
C27 H27B 0.980 .
C27 H27C 0.980 .
C28 N21 1.483(5) .
C28 H28A 0.980 .
C28 H28B 0.980 .
C28 H28C 0.980 .
C121 C126 1.404(5) .
C121 C122 1.404(5) .
C122 C123 1.342(5) .
C122 H122 0.950 .
C123 C124 1.421(5) .
C123 H123 0.950 .
C124 N121 1.368(7) .
C124 C125 1.422(5) .
C125 C126 1.342(5) .
C125 H125 0.950 .
C126 H126 0.950 .
C127 N121 1.486(5) .
C127 H12A 0.980 .
C127 H12B 0.980 .
C127 H12C 0.980 .
C128 N121 1.487(5) .
C128 H12D 0.980 .
C128 H12E 0.980 .
C128 H12F 0.980 .
C31 C36 1.403(5) .
C31 C32 1.405(5) .
C32 C33 1.343(5) .
C32 H32 0.950 .
C33 C34 1.424(5) .
C33 H33 0.950 .
C34 N31 1.367(7) .
C34 C35 1.419(5) .
C35 C36 1.339(5) .
C35 H35 0.950 .
C36 H36 0.950 .
C37 N31 1.487(5) .
C37 H37A 0.980 .
C37 H37B 0.980 .
C37 H37C 0.980 .
C38 N31 1.484(5) .
C38 H38A 0.980 .
C38 H38B 0.980 .
C38 H38C 0.980 .
C131 C136 1.403(5) .
C131 C132 1.404(5) .
C132 C133 1.340(5) .
C132 H132 0.950 .
C133 C134 1.422(5) .
C133 H133 0.950 .
C134 N131 1.367(7) .
C134 C135 1.424(5) .
C135 C136 1.343(5) .
C135 H135 0.950 .
C136 H136 0.950 .
C137 N131 1.487(5) .
C137 H13A 0.980 .
C137 H13B 0.980 .
C137 H13C 0.980 .
C138 N131 1.489(5) .
C138 H13D 0.980 .
C138 H13E 0.980 .
C138 H13F 0.980 .
C41 C42 1.399(4) .
C41 C46 1.404(4) .
C42 C43 1.348(5) .
C42 H42 0.950 .
C43 C44 1.420(5) .
C43 H43 0.950 .
C44 N41 1.373(7) .
C44 C45 1.419(5) .
C45 C46 1.335(5) .
C45 H45 0.950 .
C46 H46 0.950 .
C47 N41 1.487(5) .
C47 H47A 0.980 .
C47 H47B 0.980 .
C47 H47C 0.980 .
C48 N41 1.491(5) .
C48 H48A 0.980 .
C48 H48B 0.980 .
C48 H48C 0.980 .
C51 C56 1.402(5) .
C51 C52 1.407(5) .
C52 C53 1.343(5) .
C52 H52 0.950 .
C53 C54 1.421(5) .
C53 H53 0.950 .
C54 N51 1.367(7) .
C54 C55 1.420(5) .
C55 C56 1.344(5) .
C55 H55 0.950 .
C56 H56 0.950 .
C57 N51 1.484(5) .
C57 H57A 0.980 .
C57 H57B 0.980 .
C57 H57C 0.980 .
C58 N51 1.485(5) .
C58 H58A 0.980 .
C58 H58B 0.980 .
C58 H58C 0.980 .
C151 C156 1.404(5) .
C151 C152 1.405(5) .
C152 C153 1.343(5) .
C152 H152 0.950 .
C153 C154 1.422(5) .
C153 H153 0.950 .
C154 N151 1.370(7) .
C154 C155 1.420(5) .
C155 C156 1.344(5) .
C155 H155 0.950 .
C156 H156 0.950 .
C157 N151 1.488(5) .
C157 H15A 0.980 .
C157 H15B 0.980 .
C157 H15C 0.980 .
C158 N151 1.488(5) .
C158 H15D 0.980 .
C158 H15E 0.980 .
C158 H15F 0.980 .
C61 C62 1.403(5) .
C61 C66 1.404(5) .
C62 C63 1.344(5) .
C62 H62 0.950 .
C63 C64 1.421(5) .
C63 H63 0.950 .
C64 N61 1.373(7) .
C64 C65 1.421(5) .
C65 C66 1.342(5) .
C65 H65 0.950 .
C66 H66 0.950 .
C67 N61 1.493(5) .
C67 H67A 0.980 .
C67 H67B 0.980 .
C67 H67C 0.980 .
C68 N61 1.494(5) .
C68 H68A 0.980 .
C68 H68B 0.980 .
C68 H68C 0.980 .
C161 C166 1.404(5) .
C161 C162 1.404(5) .
C162 C163 1.344(5) .
C162 H162 0.950 .
C163 C164 1.420(5) .
C163 H163 0.950 .
C164 N161 1.373(7) .
C164 C165 1.422(5) .
C165 C166 1.342(5) .
C165 H165 0.950 .
C166 H166 0.950 .
C167 N161 1.490(5) .
C167 H16A 0.980 .
C167 H16B 0.980 .
C167 H16C 0.980 .
C168 N161 1.492(5) .
C168 H16D 0.980 .
C168 H16E 0.980 .
C168 H16F 0.980 .
C71 C76 1.400(4) .
C71 C72 1.403(4) .
C72 C73 1.341(5) .
C72 H72 0.950 .
C73 C74 1.424(5) .
C73 H73 0.950 .
C74 N71 1.363(6) .
C74 C75 1.420(5) .
C75 C76 1.344(5) .
C75 H75 0.950 .
C76 H76 0.950 .
C77 N71 1.477(5) .
C77 H77A 0.980 .
C77 H77B 0.980 .
C77 H77C 0.980 .
C78 N71 1.481(5) .
C78 H78A 0.980 .
C78 H78B 0.980 .
C78 H78C 0.980 .
C81 C82 1.403(5) .
C81 C86 1.405(5) .
C82 C83 1.344(5) .
C82 H82 0.950 .
C83 C84 1.421(5) .
C83 H83 0.950 .
C84 N81 1.371(7) .
C84 C85 1.421(5) .
C85 C86 1.343(5) .
C85 H85 0.950 .
C86 H86 0.950 .
C87 N81 1.489(5) .
C87 H87A 0.980 .
C87 H87B 0.980 .
C87 H87C 0.980 .
C88 N81 1.489(5) .
C88 H88A 0.980 .
C88 H88B 0.980 .
C88 H88C 0.980 .
C181 C182 1.403(5) .
C181 C186 1.404(5) .
C182 C183 1.344(5) .
C182 H182 0.950 .
C183 C184 1.422(5) .
C183 H183 0.950 .
C184 N181 1.371(7) .
C184 C185 1.421(5) .
C185 C186 1.344(5) .
C185 H185 0.950 .
C186 H186 0.950 .
C187 N181 1.491(5) .
C187 H18D 0.980 .
C187 H18E 0.980 .
C187 H18F 0.980 .
C188 N181 1.488(5) .
C188 H18G 0.980 .
C188 H18H 0.980 .
C188 H18I 0.980 .
C91 C96 1.356(14) .
C91 C92 1.368(15) .
C91 S91 1.772(14) .
C92 C93 1.353(16) .
C92 H92 0.950 .
C93 C94 1.371(18) .
C93 H93 0.950 .
C94 C95 1.405(18) .
C94 C97 1.532(18) .
C95 C96 1.488(16) .
C95 H95 0.950 .
C96 H96 0.950 .
C97 H97A 0.980 .
C97 H97B 0.980 .
C97 H97C 0.980 .
C191 C196 1.356(14) .
C191 C192 1.368(14) .
C191 S91 1.769(11) .
C192 C193 1.353(15) .
C192 H192 0.950 .
C193 C194 1.371(18) .
C193 H193 0.950 .
C194 C195 1.404(18) .
C194 C197 1.532(18) .
C195 C196 1.488(15) .
C195 H195 0.950 .
C196 H196 0.950 .
C197 H19A 0.980 .
C197 H19B 0.980 .
C197 H19C 0.980 .
O91 S91 1.497(6) .
O92 S91 1.486(6) .
O93 S91 1.435(6) .
