#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:27:38 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178783 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/37/4103700.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_4103700
loop_
_publ_author_name
'Gen Li'
'Zhen Lei'
'Quan-Ming Wang'
_publ_section_title
;
 Luminescent Molecular Ag-S Nanocluster [Ag62S13(SBut)32](BF4)4
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17678
_journal_page_last               17679
_journal_paper_doi               10.1021/ja108684m
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C132 H316 Ag62 B4 F16 O10 S45'
_chemical_formula_weight         10541.73
_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                91.558(2)
_cell_angle_beta                 118.826(4)
_cell_angle_gamma                115.036(2)
_cell_formula_units_Z            1
_cell_length_a                   20.9194(7)
_cell_length_b                   21.4218(4)
_cell_length_c                   21.4404(8)
_cell_measurement_temperature    173(2)
_cell_volume                     7295.9(6)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.862
_diffrn_measurement_device_type  'Oxford Gemini S Ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_av_sigmaI/netI    0.0899
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            74067
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         30.76
_diffrn_reflns_theta_min         2.80
_exptl_absorpt_coefficient_mu    4.413
_exptl_absorpt_correction_T_max  0.4723
_exptl_absorpt_correction_T_min  0.2713
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block-like
_exptl_crystal_F_000             4986
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.20
_refine_diff_density_max         4.377
_refine_diff_density_min         -2.818
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1133
_refine_ls_number_reflns         39260
_refine_ls_number_restraints     110
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.1086
_refine_ls_R_factor_gt           0.0581
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1645
_refine_ls_wR_factor_ref         0.1817
_reflns_number_gt                22764
_reflns_number_total             39260
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja108684m_si_002.cif
_cod_data_source_block           p
_cod_original_cell_volume        7295.9(4)
_cod_database_code               4103700
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
Ag1 Ag 0.38851(4) 0.49565(4) 0.52056(4) 0.03084(16) Uani 1 1 d .
Ag2 Ag 0.36919(4) 0.35052(4) 0.54181(4) 0.03265(17) Uani 1 1 d .
Ag3 Ag 0.53403(4) 0.57146(4) 0.67510(4) 0.02828(15) Uani 1 1 d .
Ag4 Ag 0.43777(4) 0.63533(4) 0.48526(4) 0.02682(15) Uani 1 1 d .
Ag5 Ag 0.27871(4) 0.42174(4) 0.34978(4) 0.02701(15) Uani 1 1 d .
Ag6 Ag 0.44446(4) 0.54435(4) 0.38564(4) 0.03191(17) Uani 1 1 d .
Ag7 Ag 0.39874(4) 0.36919(4) 0.41797(4) 0.03229(17) Uani 1 1 d .
Ag8 Ag 0.40126(4) 0.62506(4) 0.60720(4) 0.03064(16) Uani 1 1 d .
Ag9 Ag 0.28493(4) 0.56250(4) 0.31661(4) 0.02997(16) Uani 1 1 d .
Ag10 Ag 0.29341(5) 0.49633(5) 0.67043(5) 0.04000(19) Uani 1 1 d .
Ag11 Ag 0.29381(5) 0.51630(5) 0.14968(5) 0.0446(2) Uani 1 1 d .
Ag12 Ag 0.25052(4) 0.40643(4) 0.53343(4) 0.03434(18) Uani 1 1 d .
Ag13 Ag 0.51339(5) 0.36448(4) 0.70061(4) 0.03714(18) Uani 1 1 d .
Ag14 Ag 0.55302(6) 0.70245(5) 0.76686(5) 0.0457(2) Uani 1 1 d .
Ag15 Ag 0.27518(5) 0.31685(4) 0.24367(4) 0.03262(17) Uani 1 1 d .
Ag16 Ag 0.16660(5) 0.51222(5) 0.45820(5) 0.0426(2) Uani 1 1 d .
Ag17 Ag 0.29347(6) 0.32637(5) 0.65284(5) 0.0473(2) Uani 1 1 d .
Ag18 Ag 0.09181(5) 0.29179(5) 0.33440(5) 0.0460(2) Uani 1 1 d .
Ag19 Ag 0.29115(5) 0.22172(4) 0.40120(5) 0.0430(2) Uani 1 1 d .
Ag20 Ag 0.17444(6) 0.20487(5) 0.45418(5) 0.0475(2) Uani 1 1 d .
Ag21 Ag 0.10667(6) 0.45572(5) 0.29119(5) 0.0465(2) Uani 1 1 d .
Ag22 Ag 0.15319(6) 0.37313(5) 0.17066(5) 0.0452(2) Uani 1 1 d U
Ag23 Ag 0.47608(6) 0.78850(5) 0.60951(6) 0.0533(3) Uani 1 1 d .
Ag24 Ag 0.46939(6) 0.18831(5) 0.52488(6) 0.0552(3) Uani 1 1 d .
Ag25 Ag 0.60136(6) 0.28010(5) 0.71721(6) 0.0555(3) Uani 1 1 d .
Ag26 Ag 0.27755(5) 0.65240(4) 0.42297(5) 0.0447(2) Uani 1 1 d .
Ag27 Ag 0.46701(6) 0.48042(6) 0.78767(5) 0.0576(3) Uani 1 1 d .
Ag28 Ag 0.66906(6) 0.82895(5) 0.71934(6) 0.0524(3) Uani 1 1 d .
Ag29 Ag 0.31897(6) 0.38425(5) 0.12991(6) 0.0495(2) Uani 1 1 d .
Ag30 Ag 0.37406(5) 0.20681(5) 0.61012(6) 0.0497(2) Uani 1 1 d .
Ag31 Ag 0.12971(15) 0.17584(13) 0.26929(14) 0.0420(6) Uani 0.50 1 d P
Ag32 Ag 0.10220(17) 0.14785(15) 0.24192(15) 0.0501(6) Uani 0.50 1 d P
S1 S 0.5000 0.5000 0.5000 0.0344(8) Uani 1 2 d S
S2 S 0.39547(13) 0.45198(12) 0.63350(12) 0.0251(5) Uani 1 1 d .
S3 S 0.53917(13) 0.68332(11) 0.62954(13) 0.0247(5) Uani 1 1 d .
S4 S 0.28580(12) 0.52605(11) 0.42164(12) 0.0202(4) Uani 1 1 d .
S5 S 0.25465(13) 0.31328(11) 0.40415(13) 0.0260(5) Uani 1 1 d .
S6 S 0.48397(14) 0.31703(11) 0.58148(13) 0.0251(5) Uani 1 1 d .
S7 S 0.33506(13) 0.44501(11) 0.26365(12) 0.0227(4) Uani 1 1 d U
S8 S 0.39786(16) 0.77082(12) 0.47891(18) 0.0421(7) Uani 1 1 d .
S9 S 0.55615(18) 0.61802(16) 0.83766(14) 0.0393(6) Uani 1 1 d .
S10 S 0.72322(14) 0.39596(13) 0.78774(14) 0.0303(5) Uani 1 1 d .
S11 S 0.11231(14) 0.37633(14) 0.43526(14) 0.0313(5) Uani 1 1 d .
S12 S 0.55641(16) 0.42213(14) 0.82083(14) 0.0350(6) Uani 1 1 d .
S13 S 0.06978(14) 0.34294(15) 0.22326(13) 0.0346(6) Uani 1 1 d .
S14 S 0.20562(16) 0.18838(13) 0.21012(15) 0.0378(6) Uani 1 1 d .
S15 S 0.18961(15) 0.38628(15) 0.07880(13) 0.0351(6) Uani 1 1 d .
S16 S 0.25087(16) 0.21125(13) 0.58329(16) 0.0371(6) Uani 1 1 d .
S17 S 0.26903(15) 0.57411(13) 0.59619(14) 0.0310(5) Uani 1 1 d .
S18 S 0.33783(16) 0.13865(13) 0.39778(16) 0.0393(6) Uani 1 1 d .
S19 S 0.31106(16) 0.41486(15) 0.74155(15) 0.0362(6) Uani 1 1 d .
S20 S 0.05640(17) 0.16191(15) 0.32588(18) 0.0464(7) Uani 1 1 d .
S21 S 0.47607(18) 0.16749(14) 0.64457(17) 0.0436(7) Uani 1 1 d .
S22 S 0.12724(14) 0.56418(14) 0.35153(15) 0.0343(6) Uani 1 1 d .
S23 S 0.5564(2) 0.81353(16) 0.74077(19) 0.0517(8) Uani 1 1 d .
C81 C 0.3597(7) 0.8381(5) 0.4591(7) 0.039(3) Uani 1 1 d .
C82 C 0.4394(7) 0.9121(5) 0.4949(8) 0.056(4) Uani 1 1 d .
H82A H 0.4239 0.9497 0.4868 0.083 Uiso 1 1 calc R
H82B H 0.4713 0.9145 0.4725 0.083 Uiso 1 1 calc R
H82C H 0.4742 0.9194 0.5485 0.083 Uiso 1 1 calc R
C83 C 0.3122(7) 0.8328(6) 0.4918(7) 0.049(3) Uani 1 1 d .
H83A H 0.2929 0.8680 0.4815 0.074 Uiso 1 1 calc R
H83B H 0.3479 0.8426 0.5458 0.074 Uiso 1 1 calc R
H83C H 0.2634 0.7841 0.4705 0.074 Uiso 1 1 calc R
C84 C 0.3076(9) 0.8207(8) 0.3771(8) 0.066(4) Uani 1 1 d .
H84A H 0.2862 0.8543 0.3639 0.100 Uiso 1 1 calc R
H84B H 0.2602 0.7713 0.3564 0.100 Uiso 1 1 calc R
H84C H 0.3419 0.8249 0.3568 0.100 Uiso 1 1 calc R
C91 C 0.5638(6) 0.6503(6) 0.9238(6) 0.048(3) Uani 1 1 d D
C92 C 0.5581(10) 0.5914(10) 0.9619(8) 0.084(5) Uani 1 1 d D
H92A H 0.5621 0.6066 1.0078 0.127 Uiso 1 1 calc R
H92B H 0.6043 0.5823 0.9740 0.127 Uiso 1 1 calc R
H92C H 0.5042 0.5472 0.9287 0.127 Uiso 1 1 calc R
C93 C 0.4883(9) 0.6614(10) 0.8983(8) 0.077(5) Uani 1 1 d D
H93A H 0.4891 0.6781 0.9418 0.115 Uiso 1 1 calc R
H93B H 0.4362 0.6157 0.8657 0.115 Uiso 1 1 calc R
H93C H 0.4914 0.6974 0.8711 0.115 Uiso 1 1 calc R
C94 C 0.6449(9) 0.7234(8) 0.9710(7) 0.084(5) Uani 1 1 d D
H94A H 0.6496 0.7405 1.0167 0.125 Uiso 1 1 calc R
H94B H 0.6431 0.7584 0.9426 0.125 Uiso 1 1 calc R
H94C H 0.6936 0.7180 0.9838 0.125 Uiso 1 1 calc R
C101 C 0.8212(7) 0.3927(6) 0.8467(6) 0.040(3) Uani 1 1 d .
C102 C 0.8190(10) 0.3334(8) 0.8009(9) 0.070(4) Uani 1 1 d .
H10A H 0.8703 0.3307 0.8311 0.105 Uiso 1 1 calc R
H10B H 0.8155 0.3453 0.7559 0.105 Uiso 1 1 calc R
H10C H 0.7698 0.2868 0.7867 0.105 Uiso 1 1 calc R
C103 C 0.8955(6) 0.4644(7) 0.8670(7) 0.055(3) Uani 1 1 d .
H10D H 0.9475 0.4630 0.8983 0.082 Uiso 1 1 calc R
H10E H 0.8957 0.5019 0.8943 0.082 Uiso 1 1 calc R
H10F H 0.8918 0.4751 0.8216 0.082 Uiso 1 1 calc R
C104 C 0.8244(10) 0.3732(9) 0.9136(7) 0.069(4) Uani 1 1 d .
H10G H 0.8762 0.3714 0.9450 0.104 Uiso 1 1 calc R
H10H H 0.7756 0.3259 0.8983 0.104 Uiso 1 1 calc R
H10I H 0.8236 0.4093 0.9418 0.104 Uiso 1 1 calc R
C111 C 0.0377(5) 0.3320(5) 0.4637(6) 0.034(2) Uani 1 1 d .
C112 C -0.0487(7) 0.2927(7) 0.3941(7) 0.055(3) Uani 1 1 d .
H11A H -0.0902 0.2683 0.4070 0.083 Uiso 1 1 calc R
H11B H -0.0517 0.2569 0.3618 0.083 Uiso 1 1 calc R
H11C H -0.0606 0.3270 0.3680 0.083 Uiso 1 1 calc R
C113 C 0.0575(7) 0.2777(7) 0.5046(7) 0.053(3) Uani 1 1 d .
H11D H 0.0179 0.2544 0.5198 0.080 Uiso 1 1 calc R
H11E H 0.1151 0.3033 0.5488 0.080 Uiso 1 1 calc R
H11F H 0.0522 0.2411 0.4712 0.080 Uiso 1 1 calc R
C114 C 0.0428(7) 0.3884(6) 0.5115(7) 0.048(3) Uani 1 1 d .
H11G H 0.0035 0.3653 0.5270 0.071 Uiso 1 1 calc R
H11H H 0.0280 0.4205 0.4831 0.071 Uiso 1 1 calc R
H11I H 0.1002 0.4164 0.5555 0.071 Uiso 1 1 calc R
C121 C 0.5383(8) 0.3564(8) 0.8736(7) 0.050(3) Uani 1 1 d .
C122 C 0.5550(14) 0.3927(11) 0.9429(10) 0.102(7) Uani 1 1 d .
H12A H 0.5454 0.3581 0.9708 0.152 Uiso 1 1 calc R
H12B H 0.5172 0.4123 0.9315 0.152 Uiso 1 1 calc R
H12C H 0.6135 0.4320 0.9730 0.152 Uiso 1 1 calc R
C123 C 0.4471(9) 0.2989(9) 0.8294(11) 0.103(7) Uani 1 1 d .
H12D H 0.4373 0.2641 0.8571 0.155 Uiso 1 1 calc R
H12E H 0.4325 0.2740 0.7815 0.155 Uiso 1 1 calc R
H12F H 0.4121 0.3209 0.8207 0.155 Uiso 1 1 calc R
C124 C 0.5979(12) 0.3253(10) 0.8882(10) 0.093(6) Uani 1 1 d .
H12G H 0.5898 0.2903 0.9160 0.139 Uiso 1 1 calc R
H12H H 0.6565 0.3646 0.9172 0.139 Uiso 1 1 calc R
H12I H 0.5847 0.3015 0.8406 0.139 Uiso 1 1 calc R
C131 C -0.0428(6) 0.2971(6) 0.1489(6) 0.040(3) Uani 1 1 d .
C132 C -0.0894(8) 0.2821(9) 0.1871(9) 0.076(5) Uani 1 1 d .
H13A H -0.1500 0.2575 0.1497 0.114 Uiso 1 1 calc R
H13B H -0.0724 0.3276 0.2180 0.114 Uiso 1 1 calc R
H13C H -0.0762 0.2515 0.2185 0.114 Uiso 1 1 calc R
C133 C -0.0600(7) 0.3438(7) 0.0992(7) 0.060(4) Uani 1 1 d .
H13D H -0.1200 0.3190 0.0596 0.090 Uiso 1 1 calc R
H13E H -0.0266 0.3535 0.0771 0.090 Uiso 1 1 calc R
H13F H -0.0448 0.3894 0.1286 0.090 Uiso 1 1 calc R
C134 C -0.0598(9) 0.2293(8) 0.1049(8) 0.081(5) Uani 1 1 d .
H13G H -0.1192 0.2022 0.0641 0.121 Uiso 1 1 calc R
H13H H -0.0467 0.1996 0.1376 0.121 Uiso 1 1 calc R
H13I H -0.0244 0.2423 0.0844 0.121 Uiso 1 1 calc R
C141 C 0.1475(8) 0.1473(6) 0.1082(7) 0.051(3) Uani 1 1 d .
C142 C 0.1192(11) 0.0672(7) 0.1000(9) 0.101(8) Uani 1 1 d .
H14A H 0.0881 0.0410 0.0473 0.151 Uiso 1 1 calc R
H14B H 0.0827 0.0478 0.1189 0.151 Uiso 1 1 calc R
H14C H 0.1686 0.0614 0.1284 0.151 Uiso 1 1 calc R
C143 C 0.0696(8) 0.1579(9) 0.0733(8) 0.087(6) Uani 1 1 d .
H14D H 0.0362 0.1375 0.0191 0.130 Uiso 1 1 calc R
H14E H 0.0883 0.2094 0.0857 0.130 Uiso 1 1 calc R
H14F H 0.0351 0.1334 0.0931 0.130 Uiso 1 1 calc R
C144 C 0.2038(12) 0.1812(9) 0.0822(7) 0.092(6) Uani 1 1 d .
H14G H 0.1734 0.1594 0.0285 0.138 Uiso 1 1 calc R
H14H H 0.2523 0.1737 0.1082 0.138 Uiso 1 1 calc R
H14I H 0.2234 0.2329 0.0925 0.138 Uiso 1 1 calc R
C151 C 0.1178(8) 0.3621(10) -0.0237(6) 0.099(5) Uani 1 1 d DU
C152 C 0.0462(15) 0.2891(14) -0.0508(10) 0.214(14) Uani 1 1 d DU
H15A H 0.0086 0.2761 -0.1050 0.320 Uiso 1 1 calc R
H15B H 0.0155 0.2876 -0.0275 0.320 Uiso 1 1 calc R
H15C H 0.0668 0.2549 -0.0381 0.320 Uiso 1 1 calc R
C153 C 0.0736(15) 0.4042(15) -0.0390(10) 0.166(9) Uani 1 1 d DU
H15D H 0.0352 0.3924 -0.0928 0.250 Uiso 1 1 calc R
H15E H 0.1150 0.4558 -0.0187 0.250 Uiso 1 1 calc R
H15F H 0.0414 0.3921 -0.0155 0.250 Uiso 1 1 calc R
C154 C 0.1693(11) 0.3978(16) -0.0536(9) 0.164(9) Uani 1 1 d DU
H15G H 0.1329 0.3855 -0.1078 0.246 Uiso 1 1 calc R
H15H H 0.2102 0.3816 -0.0411 0.246 Uiso 1 1 calc R
H15I H 0.1991 0.4500 -0.0319 0.246 Uiso 1 1 calc R
C161 C 0.1846(6) 0.1358(5) 0.6059(6) 0.042(3) Uani 1 1 d D
C162 C 0.1535(10) 0.0656(6) 0.5538(9) 0.076(5) Uani 1 1 d D
H16A H 0.1189 0.0249 0.5641 0.114 Uiso 1 1 calc R
H16B H 0.2018 0.0618 0.5618 0.114 Uiso 1 1 calc R
H16C H 0.1198 0.0647 0.5021 0.114 Uiso 1 1 calc R
C163 C 0.1116(8) 0.1460(8) 0.5924(9) 0.072(4) Uani 1 1 d D
H16D H 0.0759 0.1077 0.6039 0.108 Uiso 1 1 calc R
H16E H 0.0783 0.1439 0.5402 0.108 Uiso 1 1 calc R
H16F H 0.1337 0.1929 0.6246 0.108 Uiso 1 1 calc R
C164 C 0.2401(8) 0.1417(7) 0.6848(7) 0.062(4) Uani 1 1 d D
H16G H 0.2081 0.1034 0.6990 0.093 Uiso 1 1 calc R
H16H H 0.2617 0.1887 0.7164 0.093 Uiso 1 1 calc R
H16I H 0.2874 0.1370 0.6911 0.093 Uiso 1 1 calc R
C171 C 0.2580(7) 0.6422(6) 0.6386(7) 0.042(3) Uani 1 1 d .
C172 C 0.3274(9) 0.6739(8) 0.7199(7) 0.062(4) Uani 1 1 d .
H17A H 0.3224 0.7101 0.7432 0.093 Uiso 1 1 calc R
H17B H 0.3820 0.6965 0.7251 0.093 Uiso 1 1 calc R
H17C H 0.3228 0.6356 0.7443 0.093 Uiso 1 1 calc R
C173 C 0.2633(9) 0.6991(7) 0.5968(8) 0.063(4) Uani 1 1 d .
H17D H 0.2579 0.7363 0.6181 0.095 Uiso 1 1 calc R
H17E H 0.2178 0.6764 0.5441 0.095 Uiso 1 1 calc R
H17F H 0.3177 0.7213 0.6014 0.095 Uiso 1 1 calc R
C174 C 0.1719(9) 0.6014(8) 0.6277(10) 0.076(5) Uani 1 1 d .
H17G H 0.1623 0.6347 0.6493 0.113 Uiso 1 1 calc R
H17H H 0.1697 0.5634 0.6525 0.113 Uiso 1 1 calc R
H17I H 0.1284 0.5797 0.5745 0.113 Uiso 1 1 calc R
C181 C 0.2537(7) 0.0454(5) 0.3766(7) 0.043(3) Uani 1 1 d .
C182 C 0.2237(9) 0.0445(8) 0.4284(10) 0.077(5) Uani 1 1 d .
H18A H 0.1790 -0.0043 0.4165 0.116 Uiso 1 1 calc R
H18B H 0.2019 0.0779 0.4222 0.116 Uiso 1 1 calc R
H18C H 0.2708 0.0592 0.4800 0.116 Uiso 1 1 calc R
C183 C 0.1811(8) 0.0225(6) 0.2960(10) 0.084(6) Uani 1 1 d .
H18D H 0.1361 -0.0262 0.2839 0.126 Uiso 1 1 calc R
H18E H 0.2010 0.0230 0.2629 0.126 Uiso 1 1 calc R
H18F H 0.1594 0.0560 0.2895 0.126 Uiso 1 1 calc R
C184 C 0.2982(10) 0.0016(7) 0.3878(12) 0.101(7) Uani 1 1 d .
H18G H 0.2591 -0.0491 0.3778 0.152 Uiso 1 1 calc R
H18H H 0.3468 0.0201 0.4392 0.152 Uiso 1 1 calc R
H18I H 0.3173 0.0057 0.3536 0.152 Uiso 1 1 calc R
C191 C 0.2529(7) 0.3897(7) 0.7882(6) 0.045(3) Uani 1 1 d .
C192 C 0.2931(15) 0.4506(10) 0.8508(12) 0.124(9) Uani 1 1 d .
H19A H 0.2631 0.4381 0.8763 0.185 Uiso 1 1 calc R
H19B H 0.2917 0.4919 0.8329 0.185 Uiso 1 1 calc R
H19C H 0.3517 0.4630 0.8855 0.185 Uiso 1 1 calc R
C193 C 0.2554(10) 0.3259(8) 0.8150(9) 0.072(4) Uani 1 1 d .
H19D H 0.2247 0.3124 0.8398 0.109 Uiso 1 1 calc R
H19E H 0.3140 0.3386 0.8501 0.109 Uiso 1 1 calc R
H19F H 0.2291 0.2852 0.7724 0.109 Uiso 1 1 calc R
C194 C 0.1614(9) 0.3641(12) 0.7326(10) 0.113(8) Uani 1 1 d .
H19G H 0.1307 0.3507 0.7575 0.170 Uiso 1 1 calc R
H19H H 0.1381 0.3221 0.6928 0.170 Uiso 1 1 calc R
H19I H 0.1557 0.4028 0.7114 0.170 Uiso 1 1 calc R
C201 C -0.0436(7) 0.0800(6) 0.2962(8) 0.053(3) Uani 1 1 d .
C202 C -0.0672(11) 0.0889(8) 0.3512(10) 0.089(6) Uani 1 1 d .
H20A H -0.1202 0.0461 0.3368 0.133 Uiso 1 1 calc R
H20B H -0.0739 0.1315 0.3511 0.133 Uiso 1 1 calc R
H20C H -0.0226 0.0949 0.4011 0.133 Uiso 1 1 calc R
C203 C -0.1072(12) 0.0744(10) 0.2190(12) 0.163(14) Uani 1 1 d .
H20D H -0.1617 0.0316 0.2010 0.245 Uiso 1 1 calc R
H20E H -0.0886 0.0706 0.1858 0.245 Uiso 1 1 calc R
H20F H -0.1130 0.1175 0.2199 0.245 Uiso 1 1 calc R
C204 C -0.0294(9) 0.0151(7) 0.2996(12) 0.095(7) Uani 1 1 d .
H20G H -0.0820 -0.0287 0.2843 0.142 Uiso 1 1 calc R
H20H H 0.0142 0.0225 0.3507 0.142 Uiso 1 1 calc R
H20I H -0.0113 0.0103 0.2662 0.142 Uiso 1 1 calc R
C211 C 0.4657(12) 0.0914(7) 0.6829(9) 0.074(4) Uani 1 1 d U
C212 C 0.3851(14) 0.0252(9) 0.6263(12) 0.140(9) Uani 1 1 d U
H21A H 0.3796 -0.0158 0.6467 0.210 Uiso 1 1 calc R
H21B H 0.3852 0.0154 0.5814 0.210 Uiso 1 1 calc R
H21C H 0.3377 0.0327 0.6137 0.210 Uiso 1 1 calc R
C213 C 0.5256(15) 0.0724(10) 0.6910(13) 0.128(8) Uani 1 1 d U
H21D H 0.5191 0.0314 0.7115 0.191 Uiso 1 1 calc R
H21E H 0.5824 0.1134 0.7248 0.191 Uiso 1 1 calc R
H21F H 0.5169 0.0592 0.6423 0.191 Uiso 1 1 calc R
C214 C 0.4578(15) 0.1025(10) 0.7454(11) 0.116(7) Uani 1 1 d U
H21G H 0.4523 0.0613 0.7656 0.174 Uiso 1 1 calc R
H21H H 0.4078 0.1071 0.7287 0.174 Uiso 1 1 calc R
H21I H 0.5079 0.1466 0.7842 0.174 Uiso 1 1 calc R
C221 C 0.0367(6) 0.5774(6) 0.3228(6) 0.038(3) Uani 1 1 d .
C222 C 0.0674(8) 0.6486(9) 0.3707(8) 0.073(5) Uani 1 1 d .
H22A H 0.0199 0.6566 0.3558 0.109 Uiso 1 1 calc R
H22B H 0.1092 0.6870 0.3649 0.109 Uiso 1 1 calc R
H22C H 0.0932 0.6486 0.4229 0.109 Uiso 1 1 calc R
C223 C 0.0002(9) 0.5767(9) 0.2447(8) 0.073(4) Uani 1 1 d .
H22D H -0.0480 0.5842 0.2279 0.109 Uiso 1 1 calc R
H22E H -0.0186 0.5301 0.2143 0.109 Uiso 1 1 calc R
H22F H 0.0426 0.6153 0.2396 0.109 Uiso 1 1 calc R
C224 C -0.0241(8) 0.5204(8) 0.3348(9) 0.067(4) Uani 1 1 d .
H22G H -0.0722 0.5276 0.3196 0.100 Uiso 1 1 calc R
H22H H 0.0034 0.5228 0.3877 0.100 Uiso 1 1 calc R
H22I H -0.0437 0.4731 0.3052 0.100 Uiso 1 1 calc R
C231 C 0.5714(12) 0.8922(8) 0.7970(12) 0.090(5) Uani 1 1 d U
C232 C 0.6003(17) 0.8825(12) 0.8760(14) 0.144(9) Uani 1 1 d U
H23A H 0.6092 0.9227 0.9082 0.217 Uiso 1 1 calc R
H23B H 0.6530 0.8815 0.8970 0.217 Uiso 1 1 calc R
H23C H 0.5569 0.8371 0.8727 0.217 Uiso 1 1 calc R
C233 C 0.6241(13) 0.9567(8) 0.7875(14) 0.121(7) Uani 1 1 d U
H23D H 0.6338 0.9992 0.8170 0.181 Uiso 1 1 calc R
H23E H 0.5960 0.9548 0.7349 0.181 Uiso 1 1 calc R
H23F H 0.6782 0.9594 0.8043 0.181 Uiso 1 1 calc R
C234 C 0.4932(12) 0.8948(9) 0.7636(13) 0.123(7) Uani 1 1 d U
H23G H 0.5020 0.9359 0.7945 0.184 Uiso 1 1 calc R
H23H H 0.4489 0.8501 0.7603 0.184 Uiso 1 1 calc R
H23I H 0.4762 0.9000 0.7136 0.184 Uiso 1 1 calc R
B1 B 0.9333(13) 0.2022(11) 0.7349(11) 0.25(2) Uiso 1 1 d DU
F1 F 0.9351(13) 0.1529(9) 0.7693(11) 0.256(10) Uiso 1 1 d DU
F2 F 0.9002(12) 0.2353(10) 0.7540(11) 0.256(10) Uiso 1 1 d DU
F3 F 1.0116(8) 0.2513(7) 0.7550(8) 0.169(6) Uiso 1 1 d DU
F4 F 0.8869(10) 0.1737(9) 0.6609(8) 0.193(7) Uiso 1 1 d DU
B2 B 0.3464(16) 0.1324(13) 0.8920(14) 0.55(4) Uiso 1 1 d DU
F5 F 0.4184(18) 0.1920(13) 0.9416(18) 0.42(2) Uiso 1 1 d DU
F6 F 0.3253(17) 0.0875(13) 0.9300(15) 0.300 Uiso 1 1 d DU
F7 F 0.354(2) 0.0990(17) 0.8446(17) 0.40(2) Uiso 1 1 d DU
F8 F 0.286(2) 0.149(2) 0.855(2) 0.59(3) Uiso 1 1 d DU
C1S C 0.835(3) 0.121(3) 0.456(3) 0.25(2) Uiso 1 1 d .
O1S O 0.882(3) 0.161(3) 0.523(3) 0.42(3) Uiso 1 1 d .
C2S C 1.124(3) 0.150(2) 0.847(3) 0.25(2) Uiso 1 1 d .
O2S O 1.0559(15) 0.1109(12) 0.8601(13) 0.250(13) Uiso 1 1 d .
O1W O -0.0593(15) 0.0171(12) 0.1095(13) 0.325(18) Uiso 1 1 d R
O2W O -0.2319(19) 0.3869(16) 0.1216(17) 0.277(14) Uiso 1 1 d .
O3W O -0.152(2) 0.1305(17) -0.1255(19) 0.307(16) Uiso 1 1 d .
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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
S4 Ag1 S1 114.18(6) . .
S4 Ag1 S2 132.21(8) . .
S1 Ag1 S2 113.44(5) . .
S4 Ag1 Ag12 84.86(6) . .
S1 Ag1 Ag12 145.35(3) . .
S2 Ag1 Ag12 52.50(5) . .
S4 Ag1 Ag3 135.22(6) . .
S1 Ag1 Ag3 82.32(2) . .
S2 Ag1 Ag3 56.07(5) . .
Ag12 Ag1 Ag3 104.87(3) . .
S4 Ag1 Ag4 55.80(5) . .
S1 Ag1 Ag4 81.40(3) . .
S2 Ag1 Ag4 137.10(6) . .
Ag12 Ag1 Ag4 131.71(3) . .
Ag3 Ag1 Ag4 88.99(3) . .
S4 Ag1 Ag2 130.25(6) . .
S1 Ag1 Ag2 82.45(2) . .
S2 Ag1 Ag2 53.70(6) . .
Ag12 Ag1 Ag2 63.75(3) . .
Ag3 Ag1 Ag2 91.60(3) . .
Ag4 Ag1 Ag2 163.61(4) . .
S4 Ag1 Ag5 53.41(5) . .
S1 Ag1 Ag5 79.93(3) . .
S2 Ag1 Ag5 134.03(6) . .
Ag12 Ag1 Ag5 90.74(3) . .
Ag3 Ag1 Ag5 162.19(4) . .
Ag4 Ag1 Ag5 86.83(3) . .
Ag2 Ag1 Ag5 87.63(3) . .
S4 Ag1 Ag8 74.92(5) . .
S1 Ag1 Ag8 126.08(3) . .
S2 Ag1 Ag8 80.73(6) . .
Ag12 Ag1 Ag8 85.69(3) . .
Ag3 Ag1 Ag8 62.73(2) . .
Ag4 Ag1 Ag8 59.76(2) . .
Ag2 Ag1 Ag8 134.12(3) . .
Ag5 Ag1 Ag8 128.30(3) . .
S5 Ag2 S6 119.86(8) . .
S5 Ag2 S2 119.11(7) . .
S6 Ag2 S2 118.40(7) . .
S5 Ag2 Ag7 54.66(6) . .
S6 Ag2 Ag7 78.89(6) . .
S2 Ag2 Ag7 124.92(6) . .
S5 Ag2 Ag6 126.10(6) . 2_666
S6 Ag2 Ag6 54.16(5) . 2_666
S2 Ag2 Ag6 77.67(5) . 2_666
Ag7 Ag2 Ag6 73.41(3) . 2_666
S5 Ag2 Ag1 79.05(5) . .
S6 Ag2 Ag1 124.57(6) . .
S2 Ag2 Ag1 54.02(6) . .
Ag7 Ag2 Ag1 72.76(3) . .
Ag6 Ag2 Ag1 72.30(3) 2_666 .
S5 Ag2 Ag12 73.58(6) . .
S6 Ag2 Ag12 166.55(6) . .
S2 Ag2 Ag12 49.20(5) . .
Ag7 Ag2 Ag12 111.99(3) . .
Ag6 Ag2 Ag12 119.82(3) 2_666 .
Ag1 Ag2 Ag12 55.38(2) . .
S5 Ag2 Ag13 166.30(6) . .
S6 Ag2 Ag13 48.04(6) . .
S2 Ag2 Ag13 74.50(5) . .
Ag7 Ag2 Ag13 120.35(3) . .
Ag6 Ag2 Ag13 55.33(3) 2_666 .
Ag1 Ag2 Ag13 112.63(3) . .
Ag12 Ag2 Ag13 118.56(3) . .
S5 Ag2 Ag19 47.35(5) . .
S6 Ag2 Ag19 76.15(6) . .
S2 Ag2 Ag19 165.45(6) . .
Ag7 Ag2 Ag19 55.09(3) . .
Ag6 Ag2 Ag19 113.96(3) 2_666 .
Ag1 Ag2 Ag19 119.37(3) . .
Ag12 Ag2 Ag19 116.30(3) . .
Ag13 Ag2 Ag19 118.95(3) . .
S5 Ag2 Ag20 54.59(6) . .
S6 Ag2 Ag20 112.69(6) . .
S2 Ag2 Ag20 114.53(6) . .
Ag7 Ag2 Ag20 102.13(3) . .
Ag6 Ag2 Ag20 166.42(3) 2_666 .
Ag1 Ag2 Ag20 119.21(3) . .
Ag12 Ag2 Ag20 73.76(3) . .
Ag13 Ag2 Ag20 120.25(3) . .
Ag19 Ag2 Ag20 55.13(3) . .
S3 Ag3 S7 121.07(8) . 2_666
S3 Ag3 S2 124.53(7) . .
S7 Ag3 S2 112.31(7) 2_666 .
S3 Ag3 Ag1 81.80(5) . .
S7 Ag3 Ag1 124.79(5) 2_666 .
S2 Ag3 Ag1 54.88(5) . .
S3 Ag3 Ag7 53.58(6) . 2_666
S7 Ag3 Ag7 81.09(6) 2_666 2_666
S2 Ag3 Ag7 127.54(6) . 2_666
Ag1 Ag3 Ag7 75.41(3) . 2_666
S3 Ag3 Ag6 126.01(6) . 2_666
S7 Ag3 Ag6 52.37(5) 2_666 2_666
S2 Ag3 Ag6 76.49(5) . 2_666
Ag1 Ag3 Ag6 73.17(3) . 2_666
Ag7 Ag3 Ag6 73.88(3) 2_666 2_666
S3 Ag3 Ag15 75.31(5) . 2_666
S7 Ag3 Ag15 48.92(5) 2_666 2_666
S2 Ag3 Ag15 160.15(6) . 2_666
Ag1 Ag3 Ag15 137.50(4) . 2_666
Ag7 Ag3 Ag15 62.15(3) 2_666 2_666
Ag6 Ag3 Ag15 92.06(3) 2_666 2_666
S3 Ag3 Ag14 57.81(6) . .
S7 Ag3 Ag14 114.95(5) 2_666 .
S2 Ag3 Ag14 112.03(6) . .
Ag1 Ag3 Ag14 119.28(3) . .
Ag7 Ag3 Ag14 105.76(3) 2_666 .
Ag6 Ag3 Ag14 167.32(3) 2_666 .
Ag15 Ag3 Ag14 76.99(3) 2_666 .
S3 Ag3 Ag8 47.67(5) . .
S7 Ag3 Ag8 168.16(6) 2_666 .
S2 Ag3 Ag8 79.52(5) . .
Ag1 Ag3 Ag8 61.54(2) . .
Ag7 Ag3 Ag8 91.84(3) 2_666 .
Ag6 Ag3 Ag8 134.64(3) 2_666 .
Ag15 Ag3 Ag8 119.32(3) 2_666 .
Ag14 Ag3 Ag8 57.74(2) . .
S6 Ag4 S3 112.31(8) 2_666 .
S6 Ag4 S4 124.47(8) 2_666 .
S3 Ag4 S4 121.18(8) . .
S6 Ag4 Ag6 55.17(5) 2_666 .
S3 Ag4 Ag6 125.26(5) . .
S4 Ag4 Ag6 81.33(5) . .
S6 Ag4 Ag1 128.11(5) 2_666 .
S3 Ag4 Ag1 81.04(6) . .
S4 Ag4 Ag1 53.43(5) . .
Ag6 Ag4 Ag1 75.78(3) . .
S6 Ag4 Ag8 159.97(6) 2_666 .
S3 Ag4 Ag8 49.21(5) . .
S4 Ag4 Ag8 75.50(5) . .
Ag6 Ag4 Ag8 138.46(3) . .
Ag1 Ag4 Ag8 62.71(3) . .
S6 Ag4 Ag7 77.06(5) 2_666 2_666
S3 Ag4 Ag7 52.28(5) . 2_666
S4 Ag4 Ag7 125.55(5) . 2_666
Ag6 Ag4 Ag7 73.66(3) . 2_666
Ag1 Ag4 Ag7 73.64(3) . 2_666
Ag8 Ag4 Ag7 92.49(3) . 2_666
S6 Ag4 Ag26 113.27(6) 2_666 .
S3 Ag4 Ag26 114.24(6) . .
S4 Ag4 Ag26 56.97(5) . .
Ag6 Ag4 Ag26 119.24(3) . .
Ag1 Ag4 Ag26 104.17(3) . .
Ag8 Ag4 Ag26 74.92(3) . .
Ag7 Ag4 Ag26 166.39(4) 2_666 .
S6 Ag4 Ag9 79.48(6) 2_666 .
S3 Ag4 Ag9 168.17(6) . .
S4 Ag4 Ag9 47.82(5) . .
Ag6 Ag4 Ag9 61.60(2) . .
Ag1 Ag4 Ag9 92.40(3) . .
Ag8 Ag4 Ag9 118.99(3) . .
Ag7 Ag4 Ag9 135.20(3) 2_666 .
Ag26 Ag4 Ag9 57.68(2) . .
S7 Ag5 S4 120.04(7) . .
S7 Ag5 S5 125.31(8) . .
S4 Ag5 S5 112.14(8) . .
S7 Ag5 Ag7 82.00(5) . .
S4 Ag5 Ag7 123.53(5) . .
S5 Ag5 Ag7 55.19(5) . .
S7 Ag5 Ag6 52.99(5) . .
S4 Ag5 Ag6 80.15(5) . .
S5 Ag5 Ag6 127.57(5) . .
Ag7 Ag5 Ag6 75.14(3) . .
S7 Ag5 Ag9 74.58(5) . .
S4 Ag5 Ag9 49.10(5) . .
S5 Ag5 Ag9 160.11(6) . .
Ag7 Ag5 Ag9 136.96(3) . .
Ag6 Ag5 Ag9 61.89(2) . .
S7 Ag5 Ag15 48.99(5) . .
S4 Ag5 Ag15 168.37(6) . .
S5 Ag5 Ag15 79.48(6) . .
Ag7 Ag5 Ag15 62.66(2) . .
Ag6 Ag5 Ag15 92.98(3) . .
Ag9 Ag5 Ag15 119.34(3) . .
S7 Ag5 Ag1 124.34(5) . .
S4 Ag5 Ag1 51.72(5) . .
S5 Ag5 Ag1 77.06(6) . .
Ag7 Ag5 Ag1 72.53(3) . .
Ag6 Ag5 Ag1 72.70(3) . .
Ag9 Ag5 Ag1 91.56(3) . .
Ag15 Ag5 Ag1 135.13(3) . .
S7 Ag5 Ag22 58.35(5) . .
S4 Ag5 Ag22 115.32(5) . .
S5 Ag5 Ag22 112.44(6) . .
Ag7 Ag5 Ag22 119.98(3) . .
Ag6 Ag5 Ag22 105.77(3) . .
Ag9 Ag5 Ag22 76.70(3) . .
Ag15 Ag5 Ag22 57.34(2) . .
Ag1 Ag5 Ag22 166.98(3) . .
S7 Ag6 S1 114.37(6) . .
S7 Ag6 S6 132.88(8) . 2_666
S1 Ag6 S6 112.71(6) . 2_666
S7 Ag6 Ag13 86.45(6) . 2_666
S1 Ag6 Ag13 146.29(3) . 2_666
S6 Ag6 Ag13 51.67(6) 2_666 2_666
S7 Ag6 Ag4 134.32(6) . .
S1 Ag6 Ag4 81.61(3) . .
S6 Ag6 Ag4 55.36(6) 2_666 .
Ag13 Ag6 Ag4 103.11(3) 2_666 .
S7 Ag6 Ag5 54.72(6) . .
S1 Ag6 Ag5 81.36(3) . .
S6 Ag6 Ag5 136.61(6) 2_666 .
Ag13 Ag6 Ag5 131.51(3) 2_666 .
Ag4 Ag6 Ag5 89.10(3) . .
S7 Ag6 Ag2 132.64(6) . 2_666
S1 Ag6 Ag2 82.07(3) . 2_666
S6 Ag6 Ag2 53.35(5) 2_666 2_666
Ag13 Ag6 Ag2 64.71(3) 2_666 2_666
Ag4 Ag6 Ag2 90.25(3) . 2_666
Ag5 Ag6 Ag2 163.34(4) . 2_666
S7 Ag6 Ag3 54.21(5) . 2_666
S1 Ag6 Ag3 79.61(2) . 2_666
S6 Ag6 Ag3 135.75(6) 2_666 2_666
Ag13 Ag6 Ag3 93.81(3) 2_666 2_666
Ag4 Ag6 Ag3 161.09(4) . 2_666
Ag5 Ag6 Ag3 85.90(3) . 2_666
Ag2 Ag6 Ag3 89.38(3) 2_666 2_666
S7 Ag6 Ag9 74.28(5) . .
S1 Ag6 Ag9 125.73(3) . .
S6 Ag6 Ag9 80.21(5) 2_666 .
Ag13 Ag6 Ag9 84.17(3) 2_666 .
Ag4 Ag6 Ag9 62.75(2) . .
Ag5 Ag6 Ag9 59.99(2) . .
Ag2 Ag6 Ag9 133.33(3) 2_666 .
Ag3 Ag6 Ag9 128.44(3) 2_666 .
S3 Ag7 S1 114.12(6) 2_666 .
S3 Ag7 S5 131.93(8) 2_666 .
S1 Ag7 S5 113.88(6) . .
S3 Ag7 Ag19 84.65(6) 2_666 .
S1 Ag7 Ag19 148.58(4) . .
S5 Ag7 Ag19 51.64(5) . .
S3 Ag7 Ag5 133.99(6) 2_666 .
S1 Ag7 Ag5 83.04(2) . .
S5 Ag7 Ag5 55.58(5) . .
Ag19 Ag7 Ag5 102.26(3) . .
S3 Ag7 Ag3 55.27(6) 2_666 2_666
S1 Ag7 Ag3 81.25(3) . 2_666
S5 Ag7 Ag3 136.48(6) . 2_666
Ag19 Ag7 Ag3 129.33(4) . 2_666
Ag5 Ag7 Ag3 88.79(3) . 2_666
S3 Ag7 Ag2 131.27(6) 2_666 .
S1 Ag7 Ag2 82.82(3) . .
S5 Ag7 Ag2 53.77(6) . .
Ag19 Ag7 Ag2 66.23(3) . .
Ag5 Ag7 Ag2 91.49(3) . .
Ag3 Ag7 Ag2 163.92(3) 2_666 .
S3 Ag7 Ag4 54.25(5) 2_666 2_666
S1 Ag7 Ag4 79.15(2) . 2_666
S5 Ag7 Ag4 135.10(6) . 2_666
Ag19 Ag7 Ag4 94.11(3) . 2_666
Ag5 Ag7 Ag4 162.06(3) . 2_666
Ag3 Ag7 Ag4 86.43(3) 2_666 2_666
Ag2 Ag7 Ag4 88.41(3) . 2_666
S3 Ag7 Ag15 75.34(6) 2_666 .
S1 Ag7 Ag15 126.34(3) . .
S5 Ag7 Ag15 78.87(6) . .
Ag19 Ag7 Ag15 81.48(3) . .
Ag5 Ag7 Ag15 61.24(2) . .
Ag3 Ag7 Ag15 60.89(3) 2_666 .
Ag2 Ag7 Ag15 132.37(3) . .
Ag4 Ag7 Ag15 129.56(3) 2_666 .
S3 Ag8 S17 174.53(9) . .
S3 Ag8 Ag4 55.68(6) . .
S17 Ag8 Ag4 129.24(7) . .
S3 Ag8 Ag14 60.96(6) . .
S17 Ag8 Ag14 113.93(7) . .
Ag4 Ag8 Ag14 116.55(3) . .
S3 Ag8 Ag1 81.15(6) . .
S17 Ag8 Ag1 103.51(6) . .
Ag4 Ag8 Ag1 57.53(2) . .
Ag14 Ag8 Ag1 116.50(3) . .
S3 Ag8 Ag23 63.80(6) . .
S17 Ag8 Ag23 114.03(7) . .
Ag4 Ag8 Ag23 73.33(3) . .
Ag14 Ag8 Ag23 77.09(3) . .
Ag1 Ag8 Ag23 130.21(4) . .
S3 Ag8 Ag3 53.39(6) . .
S17 Ag8 Ag3 126.89(7) . .
Ag4 Ag8 Ag3 83.76(3) . .
Ag14 Ag8 Ag3 60.77(2) . .
Ag1 Ag8 Ag3 55.73(2) . .
Ag23 Ag8 Ag3 115.15(3) . .
S10 Ag9 S4 174.57(8) 2_666 .
S10 Ag9 Ag26 115.08(7) 2_666 .
S4 Ag9 Ag26 60.11(5) . .
S10 Ag9 Ag5 129.78(7) 2_666 .
S4 Ag9 Ag5 54.69(5) . .
Ag26 Ag9 Ag5 114.62(3) . .
S10 Ag9 Ag6 104.30(6) 2_666 .
S4 Ag9 Ag6 80.65(5) . .
Ag26 Ag9 Ag6 116.37(3) . .
Ag5 Ag9 Ag6 58.12(2) . .
S10 Ag9 Ag4 127.29(7) 2_666 .
S4 Ag9 Ag4 53.66(5) . .
Ag26 Ag9 Ag4 60.76(3) . .
Ag5 Ag9 Ag4 84.04(2) . .
Ag6 Ag9 Ag4 55.65(2) . .
S10 Ag9 Ag21 114.30(6) 2_666 .
S4 Ag9 Ag21 63.13(5) . .
Ag26 Ag9 Ag21 77.85(3) . .
Ag5 Ag9 Ag21 70.05(3) . .
Ag6 Ag9 Ag21 127.67(3) . .
Ag4 Ag9 Ag21 115.24(3) . .
S17 Ag10 S19 177.39(9) . .
S17 Ag10 Ag12 83.66(7) . .
S19 Ag10 Ag12 95.59(7) . .
S15 Ag11 S10 127.71(9) . 2_666
S15 Ag11 S12 123.19(9) . 2_666
S10 Ag11 S12 108.90(9) 2_666 2_666
S15 Ag11 S7 77.28(8) . .
S10 Ag11 S7 98.09(8) 2_666 .
S12 Ag11 S7 91.85(8) 2_666 .
S15 Ag11 Ag29 48.78(6) . .
S10 Ag11 Ag29 155.55(7) 2_666 .
S12 Ag11 Ag29 78.10(7) 2_666 .
S7 Ag11 Ag29 57.76(5) . .
S11 Ag12 S2 173.08(9) . .
S11 Ag12 Ag1 118.17(7) . .
S2 Ag12 Ag1 57.76(6) . .
S11 Ag12 Ag10 108.53(7) . .
S2 Ag12 Ag10 68.40(6) . .
Ag1 Ag12 Ag10 101.71(3) . .
S11 Ag12 Ag17 125.60(7) . .
S2 Ag12 Ag17 60.19(6) . .
Ag1 Ag12 Ag17 114.00(3) . .
Ag10 Ag12 Ag17 73.85(3) . .
S11 Ag12 Ag2 130.87(7) . .
S2 Ag12 Ag2 53.50(6) . .
Ag1 Ag12 Ag2 60.87(2) . .
Ag10 Ag12 Ag2 119.95(3) . .
Ag17 Ag12 Ag2 65.90(3) . .
S12 Ag13 S6 173.68(10) . .
S12 Ag13 Ag6 117.25(7) . 2_666
S6 Ag13 Ag6 57.61(6) . 2_666
S12 Ag13 Ag25 108.51(7) . .
S6 Ag13 Ag25 70.74(6) . .
Ag6 Ag13 Ag25 103.58(4) 2_666 .
S12 Ag13 Ag30 125.19(8) . .
S6 Ag13 Ag30 60.93(6) . .
Ag6 Ag13 Ag30 114.91(4) 2_666 .
Ag25 Ag13 Ag30 73.62(3) . .
S12 Ag13 Ag2 129.72(7) . .
S6 Ag13 Ag2 52.38(6) . .
Ag6 Ag13 Ag2 59.96(3) 2_666 .
Ag25 Ag13 Ag2 121.16(4) . .
Ag30 Ag13 Ag2 67.20(3) . .
S9 Ag14 S23 155.65(11) . .
S9 Ag14 S3 124.09(8) . .
S23 Ag14 S3 80.26(9) . .
S9 Ag14 Ag8 109.67(8) . .
S23 Ag14 Ag8 86.55(8) . .
S3 Ag14 Ag8 47.82(5) . .
S9 Ag14 Ag3 72.96(7) . .
S23 Ag14 Ag3 131.39(9) . .
S3 Ag14 Ag3 51.15(5) . .
Ag8 Ag14 Ag3 61.48(2) . .
S9 Ag14 Ag28 143.01(8) . .
S23 Ag14 Ag28 48.09(9) . .
S3 Ag14 Ag28 54.76(5) . .
Ag8 Ag14 Ag28 94.01(3) . .
Ag3 Ag14 Ag28 95.71(3) . .
S14 Ag15 S7 173.80(9) . .
S14 Ag15 Ag22 112.52(7) . .
S7 Ag15 Ag22 62.86(5) . .
S14 Ag15 Ag5 128.54(8) . .
S7 Ag15 Ag5 54.21(6) . .
Ag22 Ag15 Ag5 63.47(3) . .
S14 Ag15 Ag3 129.66(7) . 2_666
S7 Ag15 Ag3 54.26(5) . 2_666
Ag22 Ag15 Ag3 116.86(3) . 2_666
Ag5 Ag15 Ag3 83.65(2) . 2_666
S14 Ag15 Ag7 105.54(7) . .
S7 Ag15 Ag7 80.61(6) . .
Ag22 Ag15 Ag7 119.55(3) . .
Ag5 Ag15 Ag7 56.10(2) . .
Ag3 Ag15 Ag7 56.96(2) 2_666 .
S14 Ag15 Ag29 114.48(8) . .
S7 Ag15 Ag29 61.21(6) . .
Ag22 Ag15 Ag29 77.19(3) . .
Ag5 Ag15 Ag29 113.98(3) . .
Ag3 Ag15 Ag29 69.20(3) 2_666 .
Ag7 Ag15 Ag29 125.62(3) . .
S22 Ag16 S17 130.20(9) . .
S22 Ag16 S11 120.68(9) . .
S17 Ag16 S11 108.83(9) . .
S22 Ag16 S4 78.07(7) . .
S17 Ag16 S4 97.90(7) . .
S11 Ag16 S4 89.92(7) . .
S22 Ag16 Ag21 48.18(7) . .
S17 Ag16 Ag21 157.34(7) . .
S11 Ag16 Ag21 75.56(6) . .
S4 Ag16 Ag21 59.54(5) . .
S22 Ag16 Ag26 47.41(6) . .
S17 Ag16 Ag26 90.34(7) . .
S11 Ag16 Ag26 141.02(7) . .
S4 Ag16 Ag26 53.14(5) . .
Ag21 Ag16 Ag26 74.67(3) . .
S16 Ag17 S19 159.54(10) . .
S16 Ag17 S2 118.48(9) . .
S19 Ag17 S2 81.92(8) . .
S16 Ag17 Ag12 103.59(7) . .
S19 Ag17 Ag12 91.32(7) . .
S2 Ag17 Ag12 47.87(5) . .
S11 Ag18 S20 125.29(11) . .
S11 Ag18 S13 109.69(9) . .
S20 Ag18 S13 122.91(10) . .
S11 Ag18 S5 99.21(8) . .
S20 Ag18 S5 81.64(8) . .
S13 Ag18 S5 105.27(8) . .
S11 Ag18 Ag31 154.48(8) . .
S20 Ag18 Ag31 43.40(9) . .
S13 Ag18 Ag31 90.87(8) . .
S5 Ag18 Ag31 59.64(6) . .
S18 Ag19 S5 174.76(10) . .
S18 Ag19 Ag31 110.68(9) . .
S5 Ag19 Ag31 71.54(8) . .
S18 Ag19 Ag7 117.12(8) . .
S5 Ag19 Ag7 57.70(6) . .
Ag31 Ag19 Ag7 106.64(6) . .
S18 Ag19 Ag20 124.17(8) . .
S5 Ag19 Ag20 60.80(6) . .
Ag31 Ag19 Ag20 74.21(6) . .
Ag7 Ag19 Ag20 113.57(3) . .
S18 Ag19 Ag2 127.48(8) . .
S5 Ag19 Ag2 51.63(6) . .
Ag31 Ag19 Ag2 120.68(6) . .
Ag7 Ag19 Ag2 58.68(3) . .
Ag20 Ag19 Ag2 65.08(3) . .
S18 Ag19 Ag32 103.20(9) . .
S5 Ag19 Ag32 79.09(8) . .
Ag31 Ag19 Ag32 7.57(8) . .
Ag7 Ag19 Ag32 112.12(6) . .
Ag20 Ag19 Ag32 77.20(6) . .
Ag2 Ag19 Ag32 127.73(6) . .
S18 Ag19 Ag28 49.98(8) . 2_666
S5 Ag19 Ag28 126.75(7) . 2_666
Ag31 Ag19 Ag28 83.21(6) . 2_666
Ag7 Ag19 Ag28 88.05(3) . 2_666
Ag20 Ag19 Ag28 152.22(4) . 2_666
Ag2 Ag19 Ag28 142.36(4) . 2_666
Ag32 Ag19 Ag28 78.54(6) . 2_666
S16 Ag20 S20 158.53(10) . .
S16 Ag20 S5 118.44(8) . .
S20 Ag20 S5 82.90(9) . .
S16 Ag20 Ag19 105.68(7) . .
S20 Ag20 Ag19 90.19(9) . .
S5 Ag20 Ag19 47.96(5) . .
S16 Ag20 Ag2 70.80(6) . .
S20 Ag20 Ag2 130.54(8) . .
S5 Ag20 Ag2 47.65(5) . .
Ag19 Ag20 Ag2 59.79(3) . .
S13 Ag21 S22 173.63(9) . .
S13 Ag21 Ag16 130.78(8) . .
S22 Ag21 Ag16 51.20(7) . .
S13 Ag21 Ag9 102.82(7) . .
S22 Ag21 Ag9 82.56(6) . .
Ag16 Ag21 Ag9 94.18(3) . .
S13 Ag22 S15 160.11(9) . .
S13 Ag22 S7 121.44(8) . .
S15 Ag22 S7 78.43(8) . .
S13 Ag22 Ag15 106.81(7) . .
S15 Ag22 Ag15 87.06(7) . .
S7 Ag22 Ag15 47.75(5) . .
S13 Ag22 Ag5 71.91(6) . .
S15 Ag22 Ag5 127.98(6) . .
S7 Ag22 Ag5 49.56(5) . .
Ag15 Ag22 Ag5 59.19(2) . .
S23 Ag23 S8 176.56(10) . .
S23 Ag23 Ag8 85.18(8) . .
S8 Ag23 Ag8 98.17(7) . .
S23 Ag23 Ag28 50.48(9) . .
S8 Ag23 Ag28 129.62(8) . .
Ag8 Ag23 Ag28 94.60(3) . .
S18 Ag24 S21 125.53(11) . .
S18 Ag24 S8 112.60(11) . 2_666
S21 Ag24 S8 119.26(10) . 2_666
S18 Ag24 S6 102.13(8) . .
S21 Ag24 S6 80.55(8) . .
S8 Ag24 S6 104.59(8) 2_666 .
S21 Ag25 S10 177.23(10) . .
S21 Ag25 Ag13 95.12(8) . .
S10 Ag25 Ag13 82.21(6) . .
S8 Ag26 S22 155.25(9) . .
S8 Ag26 S4 124.18(8) . .
S22 Ag26 S4 80.51(7) . .
S8 Ag26 Ag9 109.62(8) . .
S22 Ag26 Ag9 84.86(7) . .
S4 Ag26 Ag9 48.30(5) . .
S8 Ag26 Ag4 72.52(6) . .
S22 Ag26 Ag4 132.01(7) . .
S4 Ag26 Ag4 51.70(5) . .
Ag9 Ag26 Ag4 61.57(2) . .
S8 Ag26 Ag16 144.03(9) . .
S22 Ag26 Ag16 48.84(7) . .
S4 Ag26 Ag16 55.34(5) . .
Ag9 Ag26 Ag16 94.27(3) . .
Ag4 Ag26 Ag16 97.65(3) . .
S12 Ag27 S19 124.77(10) . .
S12 Ag27 S9 111.96(9) . .
S19 Ag27 S9 121.39(9) . .
S12 Ag27 S2 100.66(8) . .
S19 Ag27 S2 80.20(8) . .
S9 Ag27 S2 104.11(9) . .
S23 Ag28 S14 131.93(12) . 2_666
S23 Ag28 S18 119.99(11) . 2_666
S14 Ag28 S18 107.98(10) 2_666 2_666
S23 Ag28 S3 78.02(9) . .
S14 Ag28 S3 100.50(8) 2_666 .
S18 Ag28 S3 89.47(8) 2_666 .
S23 Ag28 Ag23 46.96(8) . .
S14 Ag28 Ag23 159.12(7) 2_666 .
S18 Ag28 Ag23 76.32(7) 2_666 .
S3 Ag28 Ag23 58.75(5) . .
S23 Ag28 Ag19 145.15(8) . 2_666
S14 Ag28 Ag19 71.40(7) 2_666 2_666
S18 Ag28 Ag19 44.98(6) 2_666 2_666
S3 Ag28 Ag19 71.49(5) . 2_666
Ag23 Ag28 Ag19 101.22(4) . 2_666
S23 Ag28 Ag14 46.47(7) . .
S14 Ag28 Ag14 94.00(8) 2_666 .
S18 Ag28 Ag14 139.96(7) 2_666 .
S3 Ag28 Ag14 53.09(5) . .
Ag23 Ag28 Ag14 72.15(3) . .
Ag19 Ag28 Ag14 119.11(3) 2_666 .
S9 Ag29 S15 171.29(10) 2_666 .
S9 Ag29 S7 109.91(8) 2_666 .
S15 Ag29 S7 78.13(7) . .
S9 Ag29 Ag11 129.59(8) 2_666 .
S15 Ag29 Ag11 51.56(7) . .
S7 Ag29 Ag11 56.74(5) . .
S9 Ag29 Ag15 103.64(8) 2_666 .
S15 Ag29 Ag15 84.29(7) . .
S7 Ag29 Ag15 46.28(5) . .
Ag11 Ag29 Ag15 96.66(3) . .
S16 Ag30 S21 161.86(10) . .
S16 Ag30 S6 115.63(8) . .
S21 Ag30 S6 82.45(9) . .
S16 Ag30 Ag13 101.47(7) . .
S21 Ag30 Ag13 92.00(7) . .
S6 Ag30 Ag13 47.48(5) . .
Ag32 Ag31 S20 97.7(5) . .
Ag32 Ag31 S14 81.7(5) . .
S20 Ag31 S14 179.08(16) . .
Ag32 Ag31 Ag19 135.7(5) . .
S20 Ag31 Ag19 97.56(12) . .
S14 Ag31 Ag19 82.43(10) . .
Ag32 Ag31 Ag18 125.2(5) . .
S20 Ag31 Ag18 48.89(9) . .
S14 Ag31 Ag18 132.03(12) . .
Ag19 Ag31 Ag18 95.54(7) . .
Ag31 Ag32 S14 83.2(5) . .
Ag31 Ag32 S20 67.7(5) . .
S14 Ag32 S20 150.89(15) . .
Ag31 Ag32 Ag19 36.7(4) . .
S14 Ag32 Ag19 72.74(9) . .
S20 Ag32 Ag19 82.95(10) . .
Ag1 S1 Ag1 180.00(3) . 2_666
Ag1 S1 Ag7 89.30(2) . .
Ag1 S1 Ag7 90.70(2) 2_666 .
Ag1 S1 Ag7 90.70(2) . 2_666
Ag1 S1 Ag7 89.30(2) 2_666 2_666
Ag7 S1 Ag7 180.00(3) . 2_666
Ag1 S1 Ag6 89.16(2) . 2_666
Ag1 S1 Ag6 90.84(2) 2_666 2_666
Ag7 S1 Ag6 89.60(2) . 2_666
Ag7 S1 Ag6 90.40(2) 2_666 2_666
Ag1 S1 Ag6 90.84(2) . .
Ag1 S1 Ag6 89.16(2) 2_666 .
Ag7 S1 Ag6 90.40(2) . .
Ag7 S1 Ag6 89.60(2) 2_666 .
Ag6 S1 Ag6 180.0 2_666 .
Ag12 S2 Ag2 77.30(7) . .
Ag12 S2 Ag1 69.73(6) . .
Ag2 S2 Ag1 72.28(7) . .
Ag12 S2 Ag3 132.05(10) . .
Ag2 S2 Ag3 111.58(9) . .
Ag1 S2 Ag3 69.05(6) . .
Ag12 S2 Ag27 129.47(10) . .
Ag2 S2 Ag27 129.64(9) . .
Ag1 S2 Ag27 149.95(10) . .
Ag3 S2 Ag27 82.42(7) . .
Ag12 S2 Ag17 71.94(6) . .
Ag2 S2 Ag17 77.41(7) . .
Ag1 S2 Ag17 135.16(9) . .
Ag3 S2 Ag17 154.95(9) . .
Ag27 S2 Ag17 74.47(7) . .
Ag8 S3 Ag7 127.76(9) . 2_666
Ag8 S3 Ag3 78.94(7) . .
Ag7 S3 Ag3 71.14(6) 2_666 .
Ag8 S3 Ag4 75.11(6) . .
Ag7 S3 Ag4 73.47(7) 2_666 .
Ag3 S3 Ag4 106.03(8) . .
Ag8 S3 Ag14 71.23(7) . .
Ag7 S3 Ag14 131.88(9) 2_666 .
Ag3 S3 Ag14 71.04(7) . .
Ag4 S3 Ag14 146.15(9) . .
Ag8 S3 Ag28 125.62(9) . .
Ag7 S3 Ag28 106.62(8) 2_666 .
Ag3 S3 Ag28 123.60(9) . .
Ag4 S3 Ag28 127.94(9) . .
Ag14 S3 Ag28 72.15(6) . .
Ag9 S4 Ag1 128.43(9) . .
Ag9 S4 Ag5 76.20(7) . .
Ag1 S4 Ag5 74.87(6) . .
Ag9 S4 Ag4 78.52(7) . .
Ag1 S4 Ag4 70.77(6) . .
Ag5 S4 Ag4 107.34(8) . .
Ag9 S4 Ag26 71.59(6) . .
Ag1 S4 Ag26 130.66(8) . .
Ag5 S4 Ag26 147.39(9) . .
Ag4 S4 Ag26 71.33(5) . .
Ag9 S4 Ag16 124.28(8) . .
Ag1 S4 Ag16 107.28(8) . .
Ag5 S4 Ag16 125.60(8) . .
Ag4 S4 Ag16 125.04(8) . .
Ag26 S4 Ag16 71.51(5) . .
Ag19 S5 Ag2 81.03(7) . .
Ag19 S5 Ag7 70.67(6) . .
Ag2 S5 Ag7 71.57(6) . .
Ag19 S5 Ag5 130.59(11) . .
Ag2 S5 Ag5 111.58(8) . .
Ag7 S5 Ag5 69.23(6) . .
Ag19 S5 Ag18 125.88(9) . .
Ag2 S5 Ag18 131.10(10) . .
Ag7 S5 Ag18 149.98(10) . .
Ag5 S5 Ag18 82.58(6) . .
Ag19 S5 Ag20 71.24(6) . .
Ag2 S5 Ag20 77.76(7) . .
Ag7 S5 Ag20 133.90(9) . .
Ag5 S5 Ag20 156.27(9) . .
Ag18 S5 Ag20 75.41(6) . .
Ag13 S6 Ag2 79.58(7) . .
Ag13 S6 Ag6 70.72(6) . 2_666
Ag2 S6 Ag6 72.49(6) . 2_666
Ag13 S6 Ag4 132.65(10) . 2_666
Ag2 S6 Ag4 111.06(9) . 2_666
Ag6 S6 Ag4 69.47(6) 2_666 2_666
Ag13 S6 Ag24 129.37(10) . .
Ag2 S6 Ag24 128.69(9) . .
Ag6 S6 Ag24 149.20(10) 2_666 .
Ag4 S6 Ag24 81.00(7) 2_666 .
Ag13 S6 Ag30 71.59(7) . .
Ag2 S6 Ag30 79.65(7) . .
Ag6 S6 Ag30 136.26(9) 2_666 .
Ag4 S6 Ag30 153.86(9) 2_666 .
Ag24 S6 Ag30 74.10(6) . .
Ag15 S7 Ag6 128.20(10) . .
Ag15 S7 Ag5 76.79(7) . .
Ag6 S7 Ag5 72.29(6) . .
Ag15 S7 Ag3 76.82(6) . 2_666
Ag6 S7 Ag3 73.42(6) . 2_666
Ag5 S7 Ag3 106.28(8) . 2_666
Ag15 S7 Ag11 125.91(8) . .
Ag6 S7 Ag11 105.89(8) . .
Ag5 S7 Ag11 126.14(8) . .
Ag3 S7 Ag11 125.20(9) 2_666 .
Ag15 S7 Ag22 69.39(6) . .
Ag6 S7 Ag22 133.64(9) . .
Ag5 S7 Ag22 72.09(6) . .
Ag3 S7 Ag22 145.68(9) 2_666 .
Ag11 S7 Ag22 73.53(5) . .
Ag15 S7 Ag29 72.51(6) . .
Ag6 S7 Ag29 139.60(9) . .
Ag5 S7 Ag29 146.10(9) . .
Ag3 S7 Ag29 80.51(6) 2_666 .
Ag11 S7 Ag29 65.50(6) . .
Ag22 S7 Ag29 83.80(6) . .
C81 S8 Ag23 109.6(4) . .
C81 S8 Ag26 108.3(3) . .
Ag23 S8 Ag26 107.66(13) . .
C81 S8 Ag24 111.3(4) . 2_666
Ag23 S8 Ag24 91.44(9) . 2_666
Ag26 S8 Ag24 126.47(11) . 2_666
C91 S9 Ag29 109.5(3) . 2_666
C91 S9 Ag14 110.4(4) . .
Ag29 S9 Ag14 104.40(12) 2_666 .
C91 S9 Ag27 110.3(4) . .
Ag29 S9 Ag27 92.10(10) 2_666 .
Ag14 S9 Ag27 127.14(11) . .
C101 S10 Ag25 113.4(4) . .
C101 S10 Ag9 113.1(4) . 2_666
Ag25 S10 Ag9 96.04(9) . 2_666
C101 S10 Ag11 115.1(4) . 2_666
Ag25 S10 Ag11 115.42(10) . 2_666
Ag9 S10 Ag11 101.42(9) 2_666 2_666
C111 S11 Ag12 109.6(3) . .
C111 S11 Ag18 113.0(3) . .
Ag12 S11 Ag18 99.91(9) . .
C111 S11 Ag16 113.1(3) . .
Ag12 S11 Ag16 87.09(8) . .
Ag18 S11 Ag16 127.47(11) . .
C121 S12 Ag13 111.4(4) . .
C121 S12 Ag27 114.6(4) . .
Ag13 S12 Ag27 100.61(10) . .
C121 S12 Ag11 113.1(4) . 2_666
Ag13 S12 Ag11 86.74(9) . 2_666
Ag27 S12 Ag11 124.49(11) . 2_666
C131 S13 Ag21 108.5(4) . .
C131 S13 Ag22 110.2(4) . .
Ag21 S13 Ag22 105.09(11) . .
C131 S13 Ag18 110.2(4) . .
Ag21 S13 Ag18 92.41(9) . .
Ag22 S13 Ag18 127.49(10) . .
C141 S14 Ag15 112.1(4) . .
C141 S14 Ag32 106.4(5) . .
Ag15 S14 Ag32 107.83(13) . .
C141 S14 Ag31 120.1(5) . .
Ag15 S14 Ag31 95.51(11) . .
Ag32 S14 Ag31 15.08(6) . .
C141 S14 Ag28 111.6(4) . 2_666
Ag15 S14 Ag28 99.77(9) . 2_666
Ag32 S14 Ag28 119.09(14) . 2_666
Ag31 S14 Ag28 114.55(14) . 2_666
C151 S15 Ag29 119.7(4) . .
C151 S15 Ag22 127.9(4) . .
Ag29 S15 Ag22 107.45(10) . .
C151 S15 Ag11 118.4(6) . .
Ag29 S15 Ag11 79.67(8) . .
Ag22 S15 Ag11 89.47(9) . .
C161 S16 Ag17 111.0(3) . .
C161 S16 Ag30 111.0(3) . .
Ag17 S16 Ag30 108.93(10) . .
C161 S16 Ag20 111.7(3) . .
Ag17 S16 Ag20 106.54(10) . .
Ag30 S16 Ag20 107.55(12) . .
C171 S17 Ag10 112.0(4) . .
C171 S17 Ag8 112.0(4) . .
Ag10 S17 Ag8 95.40(8) . .
C171 S17 Ag16 117.8(4) . .
Ag10 S17 Ag16 114.86(10) . .
Ag8 S17 Ag16 101.93(10) . .
C181 S18 Ag19 109.6(4) . .
C181 S18 Ag24 115.4(4) . .
Ag19 S18 Ag24 101.39(10) . .
C181 S18 Ag28 113.1(4) . 2_666
Ag19 S18 Ag28 85.04(9) . 2_666
Ag24 S18 Ag28 125.03(12) . 2_666
C191 S19 Ag10 116.9(4) . .
C191 S19 Ag17 122.4(4) . .
Ag10 S19 Ag17 98.92(10) . .
C191 S19 Ag27 134.1(4) . .
Ag10 S19 Ag27 88.73(9) . .
Ag17 S19 Ag27 86.46(8) . .
C201 S20 Ag31 123.6(5) . .
C201 S20 Ag20 119.4(5) . .
Ag31 S20 Ag20 97.85(12) . .
C201 S20 Ag32 109.1(5) . .
Ag31 S20 Ag32 14.63(6) . .
Ag20 S20 Ag32 109.24(13) . .
C201 S20 Ag18 130.9(4) . .
Ag31 S20 Ag18 87.71(12) . .
Ag20 S20 Ag18 87.36(9) . .
Ag32 S20 Ag18 97.27(13) . .
C211 S21 Ag25 118.3(6) . .
C211 S21 Ag30 119.9(6) . .
Ag25 S21 Ag30 99.22(10) . .
C211 S21 Ag24 133.1(5) . .
Ag25 S21 Ag24 91.34(11) . .
Ag30 S21 Ag24 86.31(9) . .
C221 S22 Ag21 119.9(4) . .
C221 S22 Ag26 129.7(4) . .
Ag21 S22 Ag26 108.43(9) . .
C221 S22 Ag16 115.5(4) . .
Ag21 S22 Ag16 80.62(8) . .
Ag26 S22 Ag16 83.75(8) . .
C231 S23 Ag23 117.0(7) . .
C231 S23 Ag14 131.0(7) . .
Ag23 S23 Ag14 107.14(11) . .
C231 S23 Ag28 119.2(6) . .
Ag23 S23 Ag28 82.56(11) . .
Ag14 S23 Ag28 85.43(9) . .
C83 C81 C84 111.7(10) . .
C83 C81 C82 110.6(10) . .
C84 C81 C82 112.4(11) . .
C83 C81 S8 110.1(8) . .
C84 C81 S8 106.2(8) . .
C82 C81 S8 105.4(7) . .
C92 C91 C93 110.8(11) . .
C92 C91 C94 114.8(12) . .
C93 C91 C94 108.6(11) . .
C92 C91 S9 107.1(8) . .
C93 C91 S9 106.2(8) . .
C94 C91 S9 109.0(8) . .
C104 C101 C103 111.7(11) . .
C104 C101 C102 109.0(11) . .
C103 C101 C102 109.6(11) . .
C104 C101 S10 109.2(9) . .
C103 C101 S10 109.2(7) . .
C102 C101 S10 108.1(8) . .
C114 C111 C112 109.2(9) . .
C114 C111 C113 112.0(10) . .
C112 C111 C113 109.8(9) . .
C114 C111 S11 108.9(7) . .
C112 C111 S11 107.0(8) . .
C113 C111 S11 109.8(7) . .
C122 C121 C123 106.6(15) . .
C122 C121 C124 111.9(12) . .
C123 C121 C124 112.3(14) . .
C122 C121 S12 109.4(11) . .
C123 C121 S12 109.3(9) . .
C124 C121 S12 107.4(9) . .
C132 C131 C133 112.7(11) . .
C132 C131 C134 113.0(12) . .
C133 C131 C134 109.4(11) . .
C132 C131 S13 106.2(8) . .
C133 C131 S13 109.9(8) . .
C134 C131 S13 105.4(8) . .
C144 C141 C142 113.2(14) . .
C144 C141 C143 114.5(14) . .
C142 C141 C143 109.7(12) . .
C144 C141 S14 109.4(8) . .
C142 C141 S14 103.8(10) . .
C143 C141 S14 105.4(10) . .
C154 C151 C152 131.1(19) . .
C154 C151 C153 98.0(18) . .
C152 C151 C153 99.8(18) . .
C154 C151 S15 107.8(10) . .
C152 C151 S15 109.4(10) . .
C153 C151 S15 107.8(11) . .
C164 C161 C162 111.7(10) . .
C164 C161 C163 112.4(11) . .
C162 C161 C163 111.3(11) . .
C164 C161 S16 106.7(7) . .
C162 C161 S16 107.0(8) . .
C163 C161 S16 107.3(7) . .
C172 C171 C174 111.4(12) . .
C172 C171 C173 111.9(11) . .
C174 C171 C173 111.8(11) . .
C172 C171 S17 108.5(7) . .
C174 C171 S17 105.5(8) . .
C173 C171 S17 107.4(9) . .
C182 C181 C183 110.1(12) . .
C182 C181 C184 113.9(13) . .
C183 C181 C184 111.9(12) . .
C182 C181 S18 109.8(8) . .
C183 C181 S18 108.2(8) . .
C184 C181 S18 102.6(9) . .
C192 C191 C194 114.0(15) . .
C192 C191 C193 110.0(13) . .
C194 C191 C193 105.5(13) . .
C192 C191 S19 108.4(10) . .
C194 C191 S19 109.7(10) . .
C193 C191 S19 109.2(9) . .
C203 C201 C202 112.2(17) . .
C203 C201 C204 112.9(15) . .
C202 C201 C204 108.7(14) . .
C203 C201 S20 106.7(11) . .
C202 C201 S20 107.6(9) . .
C204 C201 S20 108.6(9) . .
C213 C211 C214 119.5(18) . .
C213 C211 C212 101.5(16) . .
C214 C211 C212 105.0(18) . .
C213 C211 S21 110.5(13) . .
C214 C211 S21 110.2(11) . .
C212 C211 S21 109.4(12) . .
C223 C221 C224 112.6(11) . .
C223 C221 C222 110.6(11) . .
C224 C221 C222 108.0(12) . .
C223 C221 S22 107.6(8) . .
C224 C221 S22 109.6(8) . .
C222 C221 S22 108.5(7) . .
C233 C231 C234 101.0(17) . .
C233 C231 C232 120.0(19) . .
C234 C231 C232 111.5(19) . .
C233 C231 S23 107.4(13) . .
C234 C231 S23 110.7(13) . .
C232 C231 S23 106.1(12) . .
F1 B1 F4 111.7(15) . .
F1 B1 F3 110.5(15) . .
F4 B1 F3 107.8(14) . .
F1 B1 F2 108.5(15) . .
F4 B1 F2 109.3(15) . .
F3 B1 F2 109.0(15) . .
F5 B2 F7 112.1(16) . .
F5 B2 F8 109.3(16) . .
F7 B2 F8 110.6(16) . .
F5 B2 F6 107.5(15) . .
F7 B2 F6 108.6(15) . .
F8 B2 F6 108.7(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S4 2.531(2) .
Ag1 S1 2.5400(8) .
Ag1 S2 2.580(2) .
Ag1 Ag12 2.8618(11) .
Ag1 Ag3 2.9461(10) .
Ag1 Ag4 2.9755(10) .
Ag1 Ag2 3.0376(10) .
Ag1 Ag5 3.1122(10) .
Ag1 Ag8 3.1343(10) .
Ag2 S5 2.554(2) .
Ag2 S6 2.554(2) .
Ag2 S2 2.570(2) .
Ag2 Ag7 3.0039(12) .
Ag2 Ag6 3.0364(10) 2_666
Ag2 Ag12 3.1190(10) .
Ag2 Ag13 3.1716(11) .
Ag2 Ag19 3.2180(12) .
Ag2 Ag20 3.3771(12) .
Ag3 S3 2.592(2) .
Ag3 S7 2.593(2) 2_666
Ag3 S2 2.618(2) .
Ag3 Ag7 2.9844(11) 2_666
Ag3 Ag6 3.0639(10) 2_666
Ag3 Ag15 3.1105(10) 2_666
Ag3 Ag14 3.1473(11) .
Ag3 Ag8 3.1690(10) .
Ag4 S6 2.587(3) 2_666
Ag4 S3 2.604(2) .
Ag4 S4 2.606(2) .
Ag4 Ag6 2.9448(10) .
Ag4 Ag8 3.0467(11) .
Ag4 Ag7 3.0757(10) 2_666
Ag4 Ag26 3.1463(11) .
Ag4 Ag9 3.1709(10) .
Ag5 S7 2.588(2) .
Ag5 S4 2.589(2) .
Ag5 S5 2.595(2) .
Ag5 Ag7 2.9413(10) .
Ag5 Ag6 3.0205(10) .
Ag5 Ag9 3.0805(10) .
Ag5 Ag15 3.1065(10) .
Ag5 Ag22 3.2361(12) .
Ag6 S7 2.532(2) .
Ag6 S1 2.5647(8) .
Ag6 S6 2.581(2) 2_666
Ag6 Ag13 2.8850(12) 2_666
Ag6 Ag2 3.0364(10) 2_666
Ag6 Ag3 3.0639(10) 2_666
Ag6 Ag9 3.1377(10) .
Ag7 S3 2.538(2) 2_666
Ag7 S1 2.5589(8) .
Ag7 S5 2.583(2) .
Ag7 Ag19 2.8835(11) .
Ag7 Ag3 2.9844(11) 2_666
Ag7 Ag4 3.0757(10) 2_666
Ag7 Ag15 3.1478(11) .
Ag8 S3 2.387(2) .
Ag8 S17 2.387(3) .
Ag8 Ag14 3.0499(11) .
Ag8 Ag23 3.1604(12) .
Ag9 S10 2.386(3) 2_666
Ag9 S4 2.398(2) .
Ag9 Ag26 3.0471(11) .
Ag9 Ag21 3.1919(12) .
Ag10 S17 2.377(3) .
Ag10 S19 2.378(3) .
Ag10 Ag12 2.9714(12) .
Ag11 S15 2.501(3) .
Ag11 S10 2.520(3) 2_666
Ag11 S12 2.550(3) 2_666
Ag11 S7 2.887(2) .
Ag11 Ag29 3.1415(12) .
Ag12 S11 2.384(2) .
Ag12 S2 2.420(2) .
Ag12 Ag17 3.1030(12) .
Ag13 S12 2.372(3) .
Ag13 S6 2.398(2) .
Ag13 Ag6 2.8850(12) 2_666
Ag13 Ag25 2.9999(13) .
Ag13 Ag30 3.0864(12) .
Ag14 S9 2.395(3) .
Ag14 S23 2.439(3) .
Ag14 S3 2.816(3) .
Ag14 Ag28 3.3528(15) .
Ag15 S14 2.388(3) .
Ag15 S7 2.408(2) .
Ag15 Ag22 3.0449(11) .
Ag15 Ag3 3.1105(10) 2_666
Ag15 Ag29 3.1779(14) .
Ag16 S22 2.499(3) .
Ag16 S17 2.524(3) .
Ag16 S11 2.567(3) .
Ag16 S4 2.862(2) .
Ag16 Ag21 3.1638(13) .
Ag16 Ag26 3.3000(13) .
Ag17 S16 2.399(3) .
Ag17 S19 2.426(3) .
Ag17 S2 2.832(3) .
Ag18 S11 2.525(3) .
Ag18 S20 2.534(3) .
Ag18 S13 2.569(3) .
Ag18 S5 2.789(2) .
Ag18 Ag31 3.360(3) .
Ag19 S18 2.379(3) .
Ag19 S5 2.396(2) .
Ag19 Ag31 2.864(3) .
Ag19 Ag20 3.0549(14) .
Ag19 Ag32 3.345(3) .
Ag19 Ag28 3.3522(14) 2_666
Ag20 S16 2.401(3) .
Ag20 S20 2.429(3) .
Ag20 S5 2.817(3) .
Ag21 S13 2.387(3) .
Ag21 S22 2.390(3) .
Ag22 S13 2.391(3) .
Ag22 S15 2.415(3) .
Ag22 S7 2.895(2) .
Ag23 S23 2.372(4) .
Ag23 S8 2.379(3) .
Ag23 Ag28 3.2178(13) .
Ag24 S18 2.503(3) .
Ag24 S21 2.564(4) .
Ag24 S8 2.579(3) 2_666
Ag24 S6 2.814(2) .
Ag25 S21 2.371(3) .
Ag25 S10 2.381(3) .
Ag26 S8 2.393(3) .
Ag26 S22 2.444(2) .
Ag26 S4 2.784(2) .
Ag27 S12 2.511(3) .
Ag27 S19 2.555(3) .
Ag27 S9 2.562(3) .
Ag27 S2 2.808(2) .
Ag28 S23 2.503(4) .
Ag28 S14 2.516(3) 2_666
Ag28 S18 2.577(3) 2_666
Ag28 S3 2.877(2) .
Ag28 Ag19 3.3522(14) 2_666
Ag29 S9 2.381(3) 2_666
Ag29 S15 2.402(3) .
Ag29 S7 2.920(2) .
Ag30 S16 2.400(3) .
Ag30 S21 2.418(3) .
Ag30 S6 2.843(3) .
Ag31 Ag32 0.631(2) .
Ag31 S20 2.311(4) .
Ag31 S14 2.409(4) .
Ag32 S14 2.401(4) .
Ag32 S20 2.475(5) .
S1 Ag1 2.5400(8) 2_666
S1 Ag7 2.5589(8) 2_666
S1 Ag6 2.5647(8) 2_666
S3 Ag7 2.538(2) 2_666
S6 Ag6 2.581(2) 2_666
S6 Ag4 2.587(3) 2_666
S7 Ag3 2.593(2) 2_666
S8 C81 1.891(9) .
S8 Ag24 2.579(3) 2_666
S9 C91 1.862(11) .
S9 Ag29 2.381(3) 2_666
S10 C101 1.852(10) .
S10 Ag9 2.386(3) 2_666
S10 Ag11 2.520(3) 2_666
S11 C111 1.846(10) .
S12 C121 1.858(12) .
S12 Ag11 2.550(3) 2_666
S13 C131 1.841(9) .
S14 C141 1.858(12) .
S14 Ag28 2.516(3) 2_666
S15 C151 1.858(12) .
S16 C161 1.888(11) .
S17 C171 1.849(10) .
S18 C181 1.871(10) .
S18 Ag28 2.577(3) 2_666
S19 C191 1.849(12) .
S20 C201 1.846(11) .
S21 C211 1.823(12) .
S22 C221 1.839(9) .
S23 C231 1.863(14) .
C81 C83 1.440(18) .
C81 C84 1.479(18) .
C81 C82 1.532(14) .
C91 C92 1.515(13) .
C91 C93 1.529(12) .
C91 C94 1.538(13) .
C101 C104 1.485(15) .
C101 C103 1.502(17) .
C101 C102 1.556(17) .
C111 C114 1.497(15) .
C111 C112 1.498(15) .
C111 C113 1.552(15) .
C121 C122 1.46(2) .
C121 C123 1.503(19) .
C121 C124 1.560(18) .
C131 C132 1.497(19) .
C131 C133 1.503(16) .
C131 C134 1.514(17) .
C141 C144 1.47(2) .
C141 C142 1.533(17) .
C141 C143 1.554(18) .
C151 C154 1.466(16) .
C151 C152 1.467(16) .
C151 C153 1.486(17) .
C161 C164 1.481(12) .
C161 C162 1.520(13) .
C161 C163 1.525(12) .
C171 C172 1.506(17) .
C171 C174 1.521(16) .
C171 C173 1.531(17) .
C181 C182 1.51(2) .
C181 C183 1.525(19) .
C181 C184 1.530(17) .
C191 C192 1.45(2) .
C191 C194 1.504(17) .
C191 C193 1.508(19) .
C201 C203 1.50(2) .
C201 C202 1.52(2) .
C201 C204 1.536(18) .
C211 C213 1.41(3) .
C211 C214 1.45(3) .
C211 C212 1.50(2) .
C221 C223 1.463(18) .
C221 C224 1.482(17) .
C221 C222 1.498(17) .
C231 C233 1.45(3) .
C231 C234 1.46(2) .
C231 C232 1.55(3) .
B1 F1 1.308(18) .
B1 F4 1.340(18) .
B1 F3 1.346(18) .
B1 F2 1.350(18) .
B2 F5 1.34(2) .
B2 F7 1.336(19) .
B2 F8 1.34(2) .
B2 F6 1.347(19) .
C1S O1S 1.28(6) .
C2S O2S 1.48(5) .
