#------------------------------------------------------------------------------
#$Date: 2017-03-04 15:27:23 +0200 (Sat, 04 Mar 2017) $
#$Revision: 193464 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/53/4125391.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_4125391
loop_
_publ_author_name
'Yang, Huayan'
'Yan, Juanzhu'
'Wang, Yu'
'Su, Haifeng'
'Gell, Lars'
'Zhao, Xiaojing'
'Xu, Chaofa'
'Teo, Boon K.'
'Häkkinen, Hannu'
'Zheng, Nanfeng'
_publ_section_title
;
 Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in
 Nearly Perfect Half-Cubes and Cubes.
;
_journal_issue                   1
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              31
_journal_page_last               34
_journal_paper_doi               10.1021/jacs.6b10053
_journal_volume                  139
_journal_year                    2017
_chemical_formula_moiety
'0.5(C318 H324 Ag63 F70.81 P8 S36), 0.5(C312 H324 Ag63 F72 P8 S36), C61 H15 B1'
_chemical_formula_sum            'C379 H345 Ag63 B Cl6 F71.41 P8 S36'
_chemical_formula_weight         14677.59
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2016-09-23
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   25.3369(5)
_cell_length_b                   25.3369(5)
_cell_length_c                   114.6628(17)
_cell_measurement_reflns_used    14015
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      73.0190
_cell_measurement_theta_min      4.0020
_cell_volume                     63747(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 10.3415
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -46.00   29.00   0.5000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.9299   38.0000    0.0000 150

#__ type_ start__ end____ width___ exp.time_
  2 omega -116.00  -17.00   0.5000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.9299  -38.0000    0.0000 198

#__ type_ start__ end____ width___ exp.time_
  3 omega   35.00   60.00   0.5000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       40.9299 -147.0000  -85.0000 50

#__ type_ start__ end____ width___ exp.time_
  4 omega -106.00  -78.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -61.5000 -125.0000  120.0000 56

#__ type_ start__ end____ width___ exp.time_
  5 omega   54.00   94.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      108.1940  -94.0000  150.0000 80

#__ type_ start__ end____ width___ exp.time_
  6 omega   56.00  110.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      108.1940  -61.0000   30.0000 108

#__ type_ start__ end____ width___ exp.time_
  7 omega   34.00   90.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      108.1940  -30.0000  120.0000 112

#__ type_ start__ end____ width___ exp.time_
  8 omega   78.00  178.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      108.1940   30.0000  -90.0000 200

#__ type_ start__ end____ width___ exp.time_
  9 omega   35.00   90.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      108.1940  -30.0000   60.0000 110

#__ type_ start__ end____ width___ exp.time_
 10 omega   99.00  160.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      108.1940  124.0000  158.0000 122

#__ type_ start__ end____ width___ exp.time_
 11 omega   31.00   90.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      108.1940  -30.0000    0.0000 118
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0134704000
_diffrn_orient_matrix_UB_12      0.0216127000
_diffrn_orient_matrix_UB_13      0.0115971000
_diffrn_orient_matrix_UB_21      0.0660286000
_diffrn_orient_matrix_UB_22      0.0537136000
_diffrn_orient_matrix_UB_23      0.0003491000
_diffrn_orient_matrix_UB_31      -0.0197268000
_diffrn_orient_matrix_UB_32      0.0397664000
_diffrn_orient_matrix_UB_33      -0.0067721000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0449
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       131
_diffrn_reflns_limit_l_min       -142
_diffrn_reflns_number            81299
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.178
_diffrn_reflns_theta_min         3.469
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    25.638
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.18478
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.294
_exptl_crystal_description       block
_exptl_crystal_F_000             42154
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.844
_refine_diff_density_min         -2.379
_refine_diff_density_rms         0.243
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1562
_refine_ls_number_reflns         28186
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0960
_refine_ls_R_factor_gt           0.0688
_refine_ls_shift/su_max          3.328
_refine_ls_shift/su_mean         0.094
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0774P)²+3976.2529P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1909
_refine_ls_wR_factor_ref         0.2078
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19573
_reflns_number_total             28186
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja6b10053_si_004.cif
_cod_data_source_block           '[Ag63(SPhF2)36(PBu3)8]BPPh4'
_cod_depositor_comments
'Adding full bibliography for 4125391--4125393.cif.'
_cod_original_cell_volume        63747(3)
_cod_database_code               4125391
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C101-C100 = C100-C99
 1.5 with sigma of 0.02
 C99-C101
 2.5 with sigma of 0.02
 C98-C100
 2.5 with sigma of 0.02
 C122-C118 = C119-C118 = C119-C120 = C121-C120
 1.35 with sigma of 0.02
 C122-C119
 2.4 with sigma of 0.02
 C120-C118
 2.4 with sigma of 0.02
 C119-C121
 2.4 with sigma of 0.02
 C123-C126 = C123-C124 = C125-C124
 1.35 with sigma of 0.02
 C126-C124
 2.4 with sigma of 0.02
 C123-C125
 2.4 with sigma of 0.02
 P16-C45
 1.75 with sigma of 0.02
 C45-C46 = C47-C46 = C47-C48
 1.5 with sigma of 0.02
 C48-C46
 2.5 with sigma of 0.04
 C47-C45
 2.5 with sigma of 0.04
 C46-P16
 2.6 with sigma of 0.04
3. Restrained planarity
 B1, C111, C110, C109, C108, C107, C106
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
: with sigma of 0.1 and sigma for terminal atoms of 0.2
5. Others
 Sof(F22A)=1-FVAR(1)
 Sof(F22)=Sof(F21)=FVAR(1)
 Sof(F14A)=1-FVAR(2)
 Sof(F14)=FVAR(2)
 Fixed Sof: B1(0.33333)
6.a Secondary CH2 refined with riding coordinates:
 C94(H94A,H94B), C95(H95A,H95B), C93(H93A,H93B), C97(H97A,H97B), C37(H37A,
 H37B), C98(H98A,H98B), C89(H89A,H89B), C90(H90A,H90B), C102(H10A,H10B),
 C38(H38A,H38B), C42(H42A,H42B), C103(H10C,H10D), C104(H10E,H10F), C91(H91A,
 H91B), C39(H39A,H39B), C41(H41A,H41B), C99(H99A,H99B), C43(H43A,H43B),
 C100(H10G,H10H), C50(H50A,H50B), C45(H45A,H45B), C49(H49A,H49B), C51(H51A,
 H51B), C47(H47A,H47B), C46(H46A,H46B)
6.b Aromatic/amide H refined with riding coordinates:
 C70(H70), C82(H82), C58(H58), C67(H67), C6(H6), C66(H66), C54(H54), C72(H72),
 C64(H64), C23(H23), C12(H12), C76(H76), C60(H60), C84(H84), C2(H2), C61(H61),
 C26(H26), C88(H88), C87(H87), C78(H78), C18(H18), C19(H19), C14(H14), C8(H8),
 C32(H32), C36(H36), C33(H33), C27(H27), C73(H73), C9(H9), C5(H5), C20(H20),
 C30(H30), C15(H15), C117(H117), C113(H113), C114(H114), C115(H115), C116(H116)
6.c Fitted hexagon refined as free rotating group:
 C32(C31,C36,C35,C34,C33), C117(C112,C113,C114,C115,C116), C111(C106,C107,C108,
 C109,C110)
6.d Idealised Me refined as rotating group:
 C96(H96A,H96B,H96C), C92(H92A,H92B,H92C), C40(H40A,H40B,H40C), C105(H10I,H10J,
 H10K), C44(H44A,H44B,H44C), C52(H52A,H52B,H52C), C48(H48A,H48B,H48C),
 C101(H10L,H10M,H10N)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag14 Ag 0.71835(2) 0.46427(2) 0.33346(2) 0.01420(6) Uani 1 1 d . . . . .
Ag15 Ag 0.65637(2) 0.39349(2) 0.35378(2) 0.01440(6) Uani 1 1 d . . . . .
Ag19 Ag 0.52837(2) 0.31507(2) 0.35412(2) 0.01829(7) Uani 1 1 d . . . . .
Ag16 Ag 0.48340(2) 0.12492(2) 0.33297(2) 0.02094(7) Uani 1 1 d . . . . .
Ag20 Ag 0.57027(2) 0.44456(2) 0.35278(2) 0.02309(7) Uani 1 1 d . . . . .
Ag13 Ag 0.6667 0.3333 0.3333 0.01162(13) Uani 1 6 d S T P . .
Ag21 Ag 0.59591(2) 0.32144(2) 0.37431(2) 0.02219(7) Uani 1 1 d . . . . .
Ag24 Ag 0.6667 0.3333 0.40600(2) 0.03228(14) Uani 1 3 d S T P . .
Ag23 Ag 0.38494(2) 0.00237(2) 0.35686(2) 0.03741(10) Uani 1 1 d . . . . .
Ag3 Ag 0.06413(2) 0.06770(2) 0.47954(2) 0.01727(7) Uani 1 1 d . . . . .
Ag18 Ag 0.47901(2) 0.18137(2) 0.35452(2) 0.02230(7) Uani 1 1 d . . . . .
Ag2 Ag 0.0000 0.0000 0.5000 0.01384(13) Uani 1 6 d S T P . .
Ag17 Ag 0.39420(2) 0.16526(2) 0.33398(2) 0.02944(8) Uani 1 1 d . . . . .
Ag5 Ag 0.06810(2) 0.00508(2) 0.45901(2) 0.02447(8) Uani 1 1 d . . . . .
Ag6 Ag 0.13270(2) 0.00506(2) 0.47926(2) 0.02387(7) Uani 1 1 d . . . . .
Ag1 Ag -0.06965(2) 0.06213(2) 0.49986(2) 0.01923(7) Uani 1 1 d . . . . .
Ag22 Ag 0.65857(2) 0.46750(2) 0.37746(2) 0.03629(9) Uani 1 1 d . . . . .
Ag11 Ag 0.0000 0.0000 0.42698(2) 0.04110(16) Uani 1 3 d S T P . .
Ag8 Ag 0.14001(2) 0.13582(2) 0.45586(2) 0.03937(10) Uani 1 1 d . . . . .
Ag4 Ag 0.12605(2) 0.20592(2) 0.48056(2) 0.03363(10) Uani 1 1 d . . . . .
Ag7 Ag 0.19960(2) 0.00546(2) 0.49973(2) 0.03267(8) Uani 1 1 d . . . . .
Ag9 Ag 0.19285(2) 0.13986(2) 0.47866(2) 0.03353(10) Uani 1 1 d . . . . .
Ag12 Ag 0.29848(2) 0.31819(2) 0.47646(2) 0.06521(17) Uani 1 1 d . . . . .
Ag10 Ag 0.27508(2) 0.14986(2) 0.49946(2) 0.04491(12) Uani 1 1 d . . . . .
S12 S 0.69862(4) 0.43225(4) 0.39367(2) 0.0296(3) Uani 1 1 d . . . . .
S10 S 0.54679(4) 0.39167(4) 0.37248(2) 0.0300(3) Uani 1 1 d . . . . .
S7 S 0.34367(4) 0.19358(5) 0.31824(2) 0.0305(3) Uani 1 1 d . . . . .
S11 S 0.66695(4) 0.56580(4) 0.37059(2) 0.0311(3) Uani 1 1 d . . . . .
S1 S 0.09966(5) 0.06021(5) 0.43963(2) 0.0341(3) Uani 1 1 d . . . . .
S8 S 0.37224(4) 0.06014(5) 0.33908(2) 0.0319(3) Uani 1 1 d . . . . .
S9 S 0.41251(4) 0.23539(4) 0.35159(2) 0.0299(3) Uani 1 1 d . . . . .
S2 S 0.10948(5) -0.07143(5) 0.46077(2) 0.0357(3) Uani 1 1 d . . . . .
S4 S 0.25028(5) 0.07811(6) 0.48201(2) 0.0422(4) Uani 1 1 d . . . . .
S3 S 0.24219(6) 0.22021(6) 0.46273(2) 0.0448(4) Uani 1 1 d . . . . .
S5 S 0.25735(5) -0.04800(6) 0.50577(2) 0.0528(4) Uani 1 1 d . . . . .
S6 S 0.31923(5) 0.11482(7) 0.51523(2) 0.0520(4) Uani 1 1 d . . . . .
P2 P 0.30657(7) -0.08778(6) 0.36601(2) 0.0535(5) Uani 1 1 d . . . . .
P1 P 0.0000 0.0000 0.40600(2) 0.0616(8) Uani 1 3 d S T P . .
P3 P 0.6667 0.3333 0.42683(2) 0.0767(11) Uani 1 3 d S T P . .
P16 P 0.38134(10) 0.40552(10) 0.46743(2) 0.0961(9) Uani 1 1 d D . . . .
F13 F 0.14458(18) -0.02484(18) 0.29609(4) 0.0874(17) Uani 1 1 d . . . . .
F17 F 0.17930(14) 0.18717(19) 0.37135(4) 0.0823(14) Uani 1 1 d . . . . .
C53 C 0.28651(18) 0.1272(2) 0.31127(5) 0.0372(14) Uani 1 1 d . . . . .
C65 C 0.34285(17) 0.22130(19) 0.35732(4) 0.0315(12) Uani 1 1 d . . . . .
C70 C 0.2925(2) 0.2043(2) 0.35019(5) 0.0385(14) Uani 1 1 d . . . . .
H70 H 0.2953 0.1997 0.3420 0.046 Uiso 1 1 calc R . . . .
C82 C 0.7673(2) 0.6802(2) 0.36818(6) 0.0481(16) Uani 1 1 d . . . . .
H82 H 0.7627 0.6730 0.3600 0.058 Uiso 1 1 calc R . . . .
C71 C 0.5012(2) 0.4050(2) 0.38265(4) 0.0382(14) Uani 1 1 d . . . . .
C7 C 0.1521(2) -0.0849(2) 0.45035(5) 0.0483(16) Uani 1 1 d . . . . .
C58 C 0.2451(2) 0.0777(2) 0.31800(6) 0.0449(16) Uani 1 1 d . . . . .
H58 H 0.2503 0.0789 0.3262 0.054 Uiso 1 1 calc R . . . .
C67 C 0.2812(2) 0.2153(3) 0.37414(5) 0.0536(18) Uani 1 1 d . . . . .
H67 H 0.2772 0.2203 0.3822 0.064 Uiso 1 1 calc R . . . .
C6 C 0.2155(3) 0.0781(3) 0.43798(6) 0.068(2) Uani 1 1 d . . . . .
H6 H 0.2251 0.1056 0.4443 0.081 Uiso 1 1 calc R . . . .
C66 C 0.3371(2) 0.2263(2) 0.36943(5) 0.0464(17) Uani 1 1 d . . . . .
H66 H 0.3710 0.2371 0.3744 0.056 Uiso 1 1 calc R . . . .
C59 C 0.3298(2) 0.0087(2) 0.32731(5) 0.0441(16) Uani 1 1 d . . . . .
C56 C 0.1911(3) 0.0253(3) 0.30121(7) 0.060(2) Uani 1 1 d . . . . .
C77 C 0.7294(2) 0.6357(2) 0.37595(6) 0.0515(17) Uani 1 1 d . . . . .
C54 C 0.2797(2) 0.1237(2) 0.29934(5) 0.0503(18) Uani 1 1 d . . . . .
H54 H 0.3082 0.1555 0.2945 0.060 Uiso 1 1 calc R . . . .
C68 C 0.2333(2) 0.1974(2) 0.36685(6) 0.0524(17) Uani 1 1 d . . . . .
C72 C 0.5281(3) 0.4477(3) 0.39156(6) 0.080(2) Uani 1 1 d . . . . .
H72 H 0.5712 0.4706 0.3923 0.097 Uiso 1 1 calc R . . . .
C64 C 0.2874(3) -0.0497(3) 0.33038(7) 0.070(3) Uani 1 1 d . . . . .
H64 H 0.2824 -0.0624 0.3383 0.085 Uiso 1 1 calc R . . . .
C23 C 0.3685(2) 0.1044(3) 0.48287(6) 0.076(3) Uani 1 1 d . . . . .
H23 H 0.3665 0.1099 0.4910 0.091 Uiso 1 1 calc R . . . .
C12 C 0.2138(2) -0.0611(3) 0.45183(6) 0.067(2) Uani 1 1 d . . . . .
H12 H 0.2340 -0.0372 0.4585 0.080 Uiso 1 1 calc R . . . .
C76 C 0.4389(2) 0.3747(3) 0.38155(5) 0.0543(19) Uani 1 1 d . . . . .
H76 H 0.4195 0.3462 0.3754 0.065 Uiso 1 1 calc R . . . .
C1 C 0.1574(2) 0.0471(2) 0.43387(5) 0.0448(15) Uani 1 1 d . . . . .
C57 C 0.1976(2) 0.0278(3) 0.31302(7) 0.059(2) Uani 1 1 d . . . . .
C24 C 0.3187(2) 0.0890(3) 0.47582(5) 0.0554(19) Uani 1 1 d . . . . .
F23 F 0.9260(2) 0.6329(2) 0.41315(4) 0.0959(19) Uani 1 1 d . . . . .
F24 F 0.8840(2) 0.5199(2) 0.42022(5) 0.137(2) Uani 1 1 d . . . . .
F15 F 0.2230(2) -0.1114(2) 0.30218(4) 0.109(2) Uani 1 1 d . . . . .
F14 F 0.2213(2) 0.0686(2) 0.28298(5) 0.078(2) Uani 0.753(6) 1 d . . . A 1
F19 F 0.39569(17) 0.4362(2) 0.40557(4) 0.1039(16) Uani 1 1 d . . . . .
F18 F 0.19165(19) 0.1797(3) 0.34841(5) 0.125(2) Uani 1 1 d . . . . .
C83 C 0.7691(2) 0.4937(2) 0.39911(4) 0.0387(15) Uani 1 1 d . . . . .
F1 F 0.29148(17) 0.0231(2) 0.41886(4) 0.1212(17) Uani 1 1 d . . . . .
C60 C 0.3373(2) 0.0283(2) 0.31584(5) 0.0477(17) Uani 1 1 d . . . . .
H60 H 0.3658 0.0694 0.3139 0.057 Uiso 1 1 calc R . . . .
C94 C 0.3288(2) -0.1654(2) 0.35190(6) 0.059(2) Uani 1 1 d . . . . .
H94A H 0.3536 -0.1301 0.3468 0.070 Uiso 1 1 calc R . . . .
H94B H 0.3557 -0.1656 0.3581 0.070 Uiso 1 1 calc R . . . .
F20 F 0.3431(2) 0.3510(3) 0.38894(5) 0.128(3) Uani 1 1 d . . . . .
F22 F 0.8496(2) 0.7794(2) 0.36501(6) 0.095(2) Uani 0.802(5) 1 d . . . B 1
C81 C 0.8115(3) 0.7348(2) 0.37251(7) 0.064(2) Uani 1 1 d . . . . .
F16 F 0.2098(3) -0.1458(3) 0.32425(6) 0.155(3) Uani 1 1 d . . . . .
C69 C 0.2398(2) 0.1942(3) 0.35498(6) 0.0526(18) Uani 1 1 d . . . . .
C25 C 0.3086(2) -0.0403(3) 0.49438(5) 0.0638(19) Uani 1 1 d . . . . .
F9 F 0.43119(19) -0.0239(3) 0.46904(5) 0.158(2) Uani 1 1 d . . . . .
C84 C 0.8002(3) 0.4810(3) 0.40722(6) 0.070(2) Uani 1 1 d . . . . .
H84 H 0.7868 0.4401 0.4095 0.084 Uiso 1 1 calc R . . . .
F21 F 0.8641(3) 0.8021(2) 0.38766(6) 0.108(2) Uani 0.802(5) 1 d . . . B 1
F2 F 0.1839(3) -0.0328(3) 0.41159(6) 0.167(3) Uani 1 1 d . . . . .
C2 C 0.1451(3) 0.0094(3) 0.42478(6) 0.067(2) Uani 1 1 d . . . . .
H2 H 0.1051 -0.0129 0.4217 0.080 Uiso 1 1 calc R . . . .
C61 C 0.3018(2) -0.0137(2) 0.30717(6) 0.0594(19) Uani 1 1 d . . . . .
H61 H 0.3072 -0.0024 0.2992 0.071 Uiso 1 1 calc R . . . .
F12 F 0.4423(3) 0.2437(4) 0.55053(6) 0.178(4) Uani 1 1 d . . . . .
F3 F 0.2523(2) -0.1157(2) 0.42591(5) 0.1474(19) Uani 1 1 d . . . . .
C86 C 0.8736(3) 0.5879(3) 0.40836(6) 0.068(3) Uani 1 1 d . . . . .
C85 C 0.8524(3) 0.5294(3) 0.41218(6) 0.073(3) Uani 1 1 d . . . . .
C95 C 0.3047(3) -0.2228(3) 0.34492(8) 0.079(3) Uani 1 1 d . . . . .
H95A H 0.2779 -0.2223 0.3387 0.095 Uiso 1 1 calc R . . . .
H95B H 0.2795 -0.2580 0.3501 0.095 Uiso 1 1 calc R . . . .
C26 C 0.2913(2) -0.0505(3) 0.48271(6) 0.0627(18) Uani 1 1 d . . . . .
H26 H 0.2512 -0.0603 0.4806 0.075 Uiso 1 1 calc R . . . .
C55 C 0.2308(3) 0.0730(3) 0.29467(6) 0.061(2) Uani 1 1 d . . . . .
C75 C 0.4054(3) 0.3860(3) 0.38937(6) 0.066(2) Uani 1 1 d . . . . .
C88 C 0.7906(3) 0.5515(3) 0.39528(6) 0.058(2) Uani 1 1 d . . . . .
H88 H 0.7693 0.5595 0.3894 0.070 Uiso 1 1 calc R . . . .
C93 C 0.2786(3) -0.1582(2) 0.35732(7) 0.065(2) Uani 1 1 d . . . . .
H93A H 0.2538 -0.1938 0.3624 0.078 Uiso 1 1 calc R . . . .
H93B H 0.2517 -0.1583 0.3511 0.078 Uiso 1 1 calc R . . . .
C62 C 0.2592(3) -0.0713(3) 0.31053(7) 0.072(2) Uani 1 1 d . . . . .
C74 C 0.4313(3) 0.4261(3) 0.39798(6) 0.068(2) Uani 1 1 d . . . . .
C3 C 0.1920(3) 0.0038(3) 0.42011(7) 0.089(2) Uani 1 1 d . . . . .
C63 C 0.2521(3) -0.0897(3) 0.32175(8) 0.081(3) Uani 1 1 d . . . . .
C13 C 0.3091(3) 0.2236(3) 0.45668(6) 0.070(3) Uani 1 1 d . . . . .
C87 C 0.8438(3) 0.5991(3) 0.40000(6) 0.071(3) Uani 1 1 d . . . . .
H87 H 0.8589 0.6396 0.3973 0.086 Uiso 1 1 calc R . . . .
C97 C 0.2381(3) -0.0855(3) 0.37010(7) 0.073(2) Uani 1 1 d . . . . .
H97A H 0.2061 -0.1263 0.3728 0.087 Uiso 1 1 calc R . . . .
H97B H 0.2474 -0.0562 0.3765 0.087 Uiso 1 1 calc R . . . .
C78 C 0.7363(3) 0.6482(3) 0.38778(6) 0.080(3) Uani 1 1 d . . . . .
H78 H 0.7094 0.6184 0.3932 0.096 Uiso 1 1 calc R . . . .
C18 C 0.3539(3) 0.2275(3) 0.46411(7) 0.076(3) Uani 1 1 d . . . . .
H18 H 0.3496 0.2267 0.4724 0.091 Uiso 1 1 calc R . . . .
C19 C 0.3219(3) 0.0816(3) 0.46398(6) 0.078(3) Uani 1 1 d . . . . .
H19 H 0.2881 0.0719 0.4590 0.093 Uiso 1 1 calc R . . . .
C14 C 0.3172(3) 0.2253(4) 0.44478(6) 0.087(3) Uani 1 1 d . . . . .
H14 H 0.2867 0.2227 0.4396 0.105 Uiso 1 1 calc R . . . .
C8 C 0.1245(3) -0.1180(3) 0.44052(6) 0.079(3) Uani 1 1 d . . . . .
H8 H 0.0821 -0.1342 0.4393 0.095 Uiso 1 1 calc R . . . .
C37 C 0.0503(4) 0.0734(4) 0.39915(8) 0.087(3) Uani 1 1 d . . . . .
H37A H 0.0552 0.0670 0.3908 0.104 Uiso 1 1 calc R . . . .
H37B H 0.0316 0.0995 0.3997 0.104 Uiso 1 1 calc R . . . .
F7 F 0.4774(2) 0.1129(4) 0.46153(6) 0.186(3) Uani 1 1 d . . . . .
F4 F 0.3079(2) -0.0439(3) 0.44395(6) 0.168(3) Uani 1 1 d . . . . .
C98 C 0.2135(3) -0.0646(4) 0.35859(10) 0.229(7) Uani 1 1 d D . . . .
H98A H 0.2440 -0.0221 0.3565 0.275 Uiso 1 1 calc R . . . .
H98B H 0.2101 -0.0908 0.3519 0.275 Uiso 1 1 calc R . . . .
F6 F 0.4513(2) 0.2389(3) 0.46609(8) 0.165(4) Uani 1 1 d . . . . .
C32 C 0.42367(13) 0.22690(16) 0.51564(4) 0.095(3) Uani 1 1 d . . . . .
H32 H 0.4203 0.2246 0.5074 0.114 Uiso 1 1 calc R . . . .
C31 C 0.37923(18) 0.1808(2) 0.52247(4) 0.092(3) Uani 1 1 d G . . . .
C36 C 0.3842(3) 0.1841(3) 0.53456(4) 0.099(3) Uani 1 1 d G . . . .
H36 H 0.3538 0.1526 0.5392 0.119 Uiso 1 1 calc R . . . .
C35 C 0.4336(3) 0.2336(3) 0.53980(4) 0.121(4) Uani 1 1 d G . . . .
C34 C 0.4781(2) 0.2798(3) 0.53297(5) 0.123(4) Uani 1 1 d G . . . .
C33 C 0.47309(18) 0.2764(2) 0.52089(5) 0.129(5) Uani 1 1 d G . . . .
H33 H 0.5035 0.3079 0.5162 0.155 Uiso 1 1 calc R . . . .
C4 C 0.2493(3) 0.0339(3) 0.42401(7) 0.086(2) Uani 1 1 d . . . . .
C11 C 0.2451(3) -0.0724(4) 0.44364(8) 0.099(3) Uani 1 1 d . . . . .
C27 C 0.3318(3) -0.0465(3) 0.47415(7) 0.089(3) Uani 1 1 d . . . . .
H27 H 0.3198 -0.0541 0.4662 0.107 Uiso 1 1 calc R . . . .
C73 C 0.4908(3) 0.4564(3) 0.39932(6) 0.090(3) Uani 1 1 d . . . . .
H73 H 0.5084 0.4843 0.4056 0.108 Uiso 1 1 calc R . . . .
C10 C 0.2193(3) -0.1055(3) 0.43385(7) 0.088(2) Uani 1 1 d . . . . .
C80 C 0.8189(4) 0.7465(3) 0.38385(8) 0.087(3) Uani 1 1 d . . . . .
C9 C 0.1592(3) -0.1279(3) 0.43223(7) 0.094(3) Uani 1 1 d . . . . .
H9 H 0.1402 -0.1506 0.4254 0.113 Uiso 1 1 calc R . . . .
C5 C 0.2623(3) 0.0701(4) 0.43292(7) 0.094(3) Uani 1 1 d . . . . .
H5 H 0.3024 0.0908 0.4360 0.113 Uiso 1 1 calc R . . . .
C79 C 0.7825(4) 0.7043(3) 0.39177(8) 0.095(3) Uani 1 1 d . . . . .
C21 C 0.4250(3) 0.1060(5) 0.46609(8) 0.117(4) Uani 1 1 d . . . . .
C89 C 0.3270(4) -0.1090(3) 0.37954(7) 0.089(3) Uani 1 1 d . . . . .
H89A H 0.2906 -0.1452 0.3827 0.107 Uiso 1 1 calc R . . . .
H89B H 0.3581 -0.1208 0.3779 0.107 Uiso 1 1 calc R . . . .
C90 C 0.3523(4) -0.0582(3) 0.38894(7) 0.090(3) Uani 1 1 d . . . . .
H90A H 0.3211 -0.0469 0.3908 0.108 Uiso 1 1 calc R . . . .
H90B H 0.3886 -0.0216 0.3858 0.108 Uiso 1 1 calc R . . . .
C20 C 0.3768(4) 0.0889(5) 0.45943(8) 0.115(4) Uani 1 1 d . . . . .
H20 H 0.3791 0.0814 0.4514 0.138 Uiso 1 1 calc R . . . .
C102 C 0.7427(4) 0.3612(5) 0.43325(7) 0.112(4) Uani 1 1 d . . . . .
H10A H 0.7656 0.4063 0.4330 0.134 Uiso 1 1 calc R . . . .
H10B H 0.7380 0.3489 0.4415 0.134 Uiso 1 1 calc R . . . .
C28 C 0.3896(3) -0.0312(4) 0.47752(7) 0.108(3) Uani 1 1 d . . . . .
C38 C 0.1150(4) 0.1067(4) 0.40522(11) 0.118(5) Uani 1 1 d . . . . .
H38A H 0.1083 0.1029 0.4138 0.142 Uiso 1 1 calc R . . . .
H38B H 0.1359 0.0838 0.4032 0.142 Uiso 1 1 calc R . . . .
C17 C 0.4058(4) 0.2327(5) 0.45879(11) 0.119(5) Uani 1 1 d . . . . .
F8 F 0.4693(2) 0.1257(4) 0.48475(6) 0.185(3) Uani 1 1 d . . . . .
C42 C 0.3347(4) 0.3811(4) 0.44489(6) 0.093(4) Uani 1 1 d . . . . .
H42A H 0.2979 0.3440 0.4477 0.112 Uiso 1 1 calc R . . . .
H42B H 0.3282 0.4164 0.4456 0.112 Uiso 1 1 calc R . . . .
C96 C 0.3539(3) -0.2318(3) 0.33943(8) 0.087(3) Uani 1 1 d . . . . .
H96A H 0.3350 -0.2687 0.3346 0.131 Uiso 1 1 calc GR . . . .
H96B H 0.3784 -0.2360 0.3456 0.131 Uiso 1 1 calc GR . . . .
H96C H 0.3800 -0.1965 0.3345 0.131 Uiso 1 1 calc GR . . . .
F5 F 0.4692(2) 0.2456(4) 0.44378(7) 0.191(3) Uani 1 1 d . . . . .
F10 F 0.4638(2) -0.0064(4) 0.49136(7) 0.271(4) Uani 1 1 d . . . . .
C103 C 0.7813(4) 0.3356(4) 0.42665(9) 0.114(4) Uani 1 1 d . . . . .
H10C H 0.7594 0.2907 0.4275 0.137 Uiso 1 1 calc R . . . .
H10D H 0.7818 0.3444 0.4182 0.137 Uiso 1 1 calc R . . . .
C104 C 0.8503(4) 0.3614(5) 0.43079(11) 0.136(5) Uani 1 1 d . . . . .
H10E H 0.8740 0.4061 0.4296 0.163 Uiso 1 1 calc R . . . .
H10F H 0.8513 0.3529 0.4392 0.163 Uiso 1 1 calc R . . . .
C92 C 0.3825(6) -0.0312(6) 0.40927(10) 0.176(7) Uani 1 1 d . . . . .
H92A H 0.4180 0.0073 0.4069 0.264 Uiso 1 1 calc GR . . . .
H92B H 0.3907 -0.0436 0.4168 0.264 Uiso 1 1 calc GR . . . .
H92C H 0.3469 -0.0259 0.4099 0.264 Uiso 1 1 calc GR . . . .
C30 C 0.3686(3) -0.0224(4) 0.49734(8) 0.120(4) Uani 1 1 d . . . . .
H30 H 0.3815 -0.0140 0.5052 0.144 Uiso 1 1 calc R . . . .
C91 C 0.3700(6) -0.0800(5) 0.40027(9) 0.155(7) Uani 1 1 d . . . . .
H91A H 0.3362 -0.1200 0.4028 0.186 Uiso 1 1 calc R . . . .
H91B H 0.4068 -0.0835 0.3990 0.186 Uiso 1 1 calc R . . . .
C22 C 0.4211(3) 0.1117(5) 0.47787(9) 0.132(4) Uani 1 1 d . . . . .
C40 C 0.2136(4) 0.1895(5) 0.40999(13) 0.155(6) Uani 1 1 d . . . . .
H40A H 0.2441 0.2303 0.4073 0.232 Uiso 1 1 calc GR . . . .
H40B H 0.2293 0.1615 0.4089 0.232 Uiso 1 1 calc GR . . . .
H40C H 0.2049 0.1911 0.4183 0.232 Uiso 1 1 calc GR . . . .
C39 C 0.1543(6) 0.1668(6) 0.40282(17) 0.200(9) Uani 1 1 d . . . . .
H39A H 0.1350 0.1913 0.4048 0.240 Uiso 1 1 calc R . . . .
H39B H 0.1641 0.1720 0.3944 0.240 Uiso 1 1 calc R . . . .
C41 C 0.3990(5) 0.3934(6) 0.45259(10) 0.160(7) Uani 1 1 d . . . . .
H41A H 0.4361 0.4297 0.4496 0.192 Uiso 1 1 calc R . . . .
H41B H 0.4047 0.3576 0.4521 0.192 Uiso 1 1 calc R . . . .
C99 C 0.1506(3) -0.0688(3) 0.36062(7) 0.156(6) Uani 1 1 d D . . . .
H99A H 0.1188 -0.1115 0.3622 0.187 Uiso 1 1 calc R . . . .
H99B H 0.1528 -0.0434 0.3674 0.187 Uiso 1 1 calc R . . . .
C29 C 0.4081(3) -0.0170(5) 0.48896(8) 0.136(4) Uani 1 1 d . . . . .
C15 C 0.3726(4) 0.2312(6) 0.44048(10) 0.143(5) Uani 1 1 d . . . . .
H15 H 0.3787 0.2296 0.4323 0.172 Uiso 1 1 calc R . . . .
C43 C 0.3495(6) 0.3731(7) 0.43226(10) 0.188(9) Uani 1 1 d . . . . .
H43A H 0.3603 0.3407 0.4317 0.226 Uiso 1 1 calc R . . . .
H43B H 0.3837 0.4116 0.4292 0.226 Uiso 1 1 calc R . . . .
C100 C 0.1353(2) -0.0458(3) 0.34961(7) 0.218(7) Uani 1 1 d D . . . .
H10G H 0.1730 -0.0121 0.3462 0.261 Uiso 1 1 calc R . . . .
H10H H 0.1164 -0.0790 0.3438 0.261 Uiso 1 1 calc R . . . .
C16 C 0.4154(4) 0.2389(5) 0.44799(10) 0.125(4) Uani 1 1 d . . . . .
C105 C 0.8785(5) 0.3304(5) 0.42362(13) 0.164(6) Uani 1 1 d . . . . .
H10I H 0.8712 0.3331 0.4153 0.245 Uiso 1 1 calc GR . . . .
H10J H 0.8598 0.2875 0.4259 0.245 Uiso 1 1 calc GR . . . .
H10K H 0.9225 0.3509 0.4251 0.245 Uiso 1 1 calc GR . . . .
B1 B 0.3835(4) -0.2184(3) 0.42759(8) -0.0010(17) Uiso 0.3333 1 d . U . . .
F11 F 0.5227(3) 0.3285(3) 0.53803(7) 0.175(4) Uani 1 1 d . . . . .
C50 C 0.3680(4) 0.4902(4) 0.48089(8) 0.108(4) Uani 1 1 d . . . . .
H50A H 0.3232 0.4629 0.4808 0.130 Uiso 1 1 calc R . . . .
H50B H 0.3832 0.4770 0.4876 0.130 Uiso 1 1 calc R . . . .
C44 C 0.2876(4) 0.3545(4) 0.42516(8) 0.107(4) Uani 1 1 d . . . . .
H44A H 0.2967 0.3616 0.4168 0.161 Uiso 1 1 calc GR . . . .
H44B H 0.2702 0.3793 0.4279 0.161 Uiso 1 1 calc GR . . . .
H44C H 0.2582 0.3113 0.4265 0.161 Uiso 1 1 calc GR . . . .
C121 C 0.3333 -0.3333 0.46120(11) 0.131(7) Uiso 1 3 d DS T P . .
C45 C 0.4558(2) 0.4219(3) 0.47218(11) 0.174(7) Uani 1 1 d D . . . .
H45A H 0.4855 0.4532 0.4668 0.208 Uiso 1 1 calc R . . . .
H45B H 0.4626 0.4415 0.4799 0.208 Uiso 1 1 calc R . . . .
C117 C 0.3963(3) -0.1234(3) 0.44082(6) 0.198(7) Uiso 1 1 d . . . . .
H117 H 0.3629 -0.1550 0.4449 0.238 Uiso 1 1 calc R . . . .
C112 C 0.4273(4) -0.1377(4) 0.43255(9) 0.147(5) Uiso 1 1 d G . . . .
C113 C 0.4762(5) -0.0914(6) 0.42653(12) 0.61(3) Uiso 1 1 d G . . . .
H113 H 0.4974 -0.1012 0.4209 0.734 Uiso 1 1 calc R . . . .
C114 C 0.4940(5) -0.0308(5) 0.42878(12) 0.91(6) Uiso 1 1 d G . . . .
H114 H 0.5274 0.0008 0.4247 1.096 Uiso 1 1 calc R . . . .
C115 C 0.4630(5) -0.0165(3) 0.43704(11) 0.147(5) Uiso 1 1 d G . . . .
H115 H 0.4751 0.0249 0.4386 0.176 Uiso 1 1 calc R . . . .
C116 C 0.4141(4) -0.0628(3) 0.44306(8) 0.175(6) Uiso 1 1 d G . . . .
H116 H 0.3929 -0.0531 0.4487 0.210 Uiso 1 1 calc R . . . .
C49 C 0.3905(5) 0.4750(4) 0.47061(11) 0.148(6) Uani 1 1 d . . . . .
H49A H 0.4350 0.5036 0.4705 0.177 Uiso 1 1 calc R . . . .
H49B H 0.3735 0.4860 0.4639 0.177 Uiso 1 1 calc R . . . .
C111 C 0.3215(5) -0.2264(3) 0.41835(11) 0.90(5) Uiso 1 1 d . . . . .
C106 C 0.3394(6) -0.2388(5) 0.40771(12) 1.70(16) Uiso 1 1 d G . . . .
C107 C 0.3039(8) -0.2485(8) 0.39783(11) 1.55(13) Uiso 1 1 d G . . . .
C108 C 0.2505(8) -0.2458(8) 0.39859(13) 2.00(19) Uiso 1 1 d G . . . .
C109 C 0.2326(6) -0.2335(6) 0.40922(15) 0.185(7) Uiso 1 1 d G . . . .
C110 C 0.2682(5) -0.2238(4) 0.41910(12) 0.191(7) Uiso 1 1 d G . . . .
C52 C 0.3483(6) 0.5632(5) 0.49277(11) 0.162(7) Uani 1 1 d . . . . .
H52A H 0.3113 0.5611 0.4896 0.243 Uiso 1 1 calc GR . . . .
H52B H 0.3756 0.6044 0.4957 0.243 Uiso 1 1 calc GR . . . .
H52C H 0.3372 0.5338 0.4991 0.243 Uiso 1 1 calc GR . . . .
C124 C 0.4442(3) -0.2215(6) 0.40780(5) 0.248(10) Uiso 1 1 d D . . . .
C51 C 0.3775(7) 0.5496(5) 0.48404(14) 0.215(9) Uani 1 1 d . . . . .
H51A H 0.4216 0.5747 0.4858 0.258 Uiso 1 1 calc R . . . .
H51B H 0.3706 0.5665 0.4768 0.258 Uiso 1 1 calc R . . . .
C125 C 0.4999(3) -0.2065(7) 0.40338(8) 0.240(9) Uiso 1 1 d D . . . .
C47 C 0.5312(3) 0.3901(3) 0.47934(12) 0.378(18) Uani 1 1 d D . . . .
H47A H 0.5655 0.4187 0.4743 0.454 Uiso 1 1 calc R . . . .
H47B H 0.5334 0.4121 0.4866 0.454 Uiso 1 1 calc R . . . .
C123 C 0.4311(4) -0.2242(6) 0.41931(5) 0.81(5) Uiso 1 1 d D . . . .
C46 C 0.4730(2) 0.3751(3) 0.47324(10) 0.236(8) Uani 1 1 d D . . . .
H46A H 0.4751 0.3613 0.4653 0.284 Uiso 1 1 calc R . . . .
H46B H 0.4394 0.3399 0.4773 0.284 Uiso 1 1 calc R . . . .
C48 C 0.5416(4) 0.3389(3) 0.48245(15) 0.444(14) Uani 1 1 d D . . . .
H48A H 0.5743 0.3529 0.4883 0.666 Uiso 1 1 calc GR . . . .
H48B H 0.5534 0.3251 0.4755 0.666 Uiso 1 1 calc GR . . . .
H48C H 0.5041 0.3052 0.4857 0.666 Uiso 1 1 calc GR . . . .
C126 C 0.4590(5) -0.2384(6) 0.42778(6) 0.61(3) Uiso 1 1 d D . . . .
C119 C 0.3987(3) -0.2467(3) 0.44928(6) 0.392(18) Uiso 1 1 d D . . . .
C122 C 0.3026(2) -0.2547(7) 0.4444(2) 2.0(2) Uiso 1 1 d D . . . .
C118 C 0.3608(3) -0.2393(4) 0.44223(7) 2.0(2) Uiso 1 1 d D . . . .
C120 C 0.3852(5) -0.2804(4) 0.45901(6) 0.39(2) Uiso 1 1 d D . . . .
F22A F 0.8093(11) 0.7086(10) 0.40256(19) 0.104(10) Uani 0.198(5) 1 d . . . B 2
F14A F 0.1633(6) -0.0182(6) 0.31690(16) 0.074(6) Uani 0.247(6) 1 d . . . A 2
C101 C 0.0915(3) -0.0234(3) 0.35267(14) 0.42(2) Uani 1 1 d D . . . .
H10L H 0.1085 0.0188 0.3501 0.632 Uiso 1 1 calc GR . . . .
H10M H 0.0853 -0.0256 0.3611 0.632 Uiso 1 1 calc GR . . . .
H10N H 0.0524 -0.0491 0.3488 0.632 Uiso 1 1 calc GR . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Ag14 Ag14 Ag14 120.0 18_545 17
Ag14 Ag14 Ag19 59.578(10) 18_545 17
Ag14 Ag14 Ag19 118.402(13) 17 17
Ag14 Ag14 Ag16 178.922(13) 18_545 16_655
Ag14 Ag14 Ag16 58.935(12) 17 16_655
Ag14 Ag14 Ag13 60.0 18_545 .
Ag14 Ag14 Ag18 121.728(15) 17 3_665
Ag14 Ag14 Ag18 87.549(12) 18_545 3_665
Ag14 Ag14 Ag17 118.557(12) 18_545 3_665
Ag14 Ag14 Ag17 121.454(12) 17 3_665
Ag15 Ag14 Ag14 89.255(10) 17 18_545
Ag15 Ag14 Ag14 59.848(9) 17 17
Ag15 Ag14 Ag14 90.699(10) . 17
Ag15 Ag14 Ag14 59.819(9) . 18_545
Ag15 Ag14 Ag15 119.615(13) 17 .
Ag15 Ag14 Ag19 59.923(9) . 3_665
Ag15 Ag14 Ag19 58.554(8) 17 17
Ag15 Ag14 Ag19 120.347(12) 17 3_665
Ag15 Ag14 Ag19 119.385(10) . 17
Ag15 Ag14 Ag16 90.080(11) 17 16_655
Ag15 Ag14 Ag16 119.870(12) . 16_655
Ag15 Ag14 Ag13 59.805(7) . .
Ag15 Ag14 Ag13 59.819(8) 17 .
Ag15 Ag14 Ag18 176.788(12) 17 3_665
Ag15 Ag14 Ag18 58.287(9) . 3_665
Ag15 Ag14 Ag17 118.951(12) . 3_665
Ag15 Ag14 Ag17 121.393(11) 17 3_665
Ag19 Ag14 Ag14 60.511(11) 3_665 17
Ag19 Ag14 Ag14 119.741(13) 3_665 18_545
Ag19 Ag14 Ag19 178.442(13) 3_665 17
Ag19 Ag14 Ag16 59.952(10) 3_665 16_655
Ag19 Ag14 Ag13 89.498(9) 3_665 .
Ag19 Ag14 Ag18 119.790(12) 17 3_665
Ag19 Ag14 Ag18 61.246(9) 3_665 3_665
Ag19 Ag14 Ag17 90.681(10) 3_665 3_665
Ag19 Ag14 Ag17 90.863(11) 17 3_665
Ag16 Ag14 Ag14 178.152(16) 3_665 17
Ag16 Ag14 Ag14 60.675(9) 3_665 18_545
Ag16 Ag14 Ag15 91.090(11) 3_665 .
Ag16 Ag14 Ag15 118.754(11) 3_665 17
Ag16 Ag14 Ag19 60.215(9) 3_665 17
Ag16 Ag14 Ag19 120.899(12) 3_665 3_665
Ag16 Ag14 Ag19 120.699(12) 16_655 17
Ag16 Ag14 Ag16 120.400(9) 3_665 16_655
Ag16 Ag14 Ag20 85.374(11) 3_665 17
Ag16 Ag14 Ag13 120.666(9) 3_665 .
Ag16 Ag14 Ag18 93.111(11) 16_655 3_665
Ag16 Ag14 Ag18 59.737(10) 3_665 3_665
Ag16 Ag14 Ag17 62.519(10) 16_655 3_665
Ag16 Ag14 Ag17 57.910(10) 3_665 3_665
Ag20 Ag14 Ag14 119.745(14) 17 18_545
Ag20 Ag14 Ag14 92.854(13) 17 17
Ag20 Ag14 Ag15 64.106(10) 17 17
Ag20 Ag14 Ag15 175.900(14) 17 .
Ag20 Ag14 Ag19 60.437(9) 17 17
Ag20 Ag14 Ag19 120.368(11) 17 3_665
Ag20 Ag14 Ag16 60.649(9) 17 16_655
Ag20 Ag14 Ag13 123.918(11) 17 .
Ag20 Ag14 Ag18 117.912(12) 17 3_665
Ag20 Ag14 Ag17 57.289(10) 17 3_665
Ag13 Ag14 Ag14 60.0 . 17
Ag13 Ag14 Ag19 88.964(9) . 17
Ag13 Ag14 Ag16 118.926(12) . 16_655
Ag13 Ag14 Ag18 118.069(9) . 3_665
Ag13 Ag14 Ag17 178.351(13) . 3_665
Ag18 Ag14 Ag17 60.666(9) 3_665 3_665
Ag14 Ag15 Ag14 60.336(6) 18_545 .
Ag14 Ag15 Ag15 89.283(11) . 3_665
Ag14 Ag15 Ag15 90.753(8) 18_545 2_655
Ag14 Ag15 Ag15 120.187(7) 18_545 3_665
Ag14 Ag15 Ag15 120.181(8) . 2_655
Ag14 Ag15 Ag20 89.334(11) . .
Ag14 Ag15 Ag20 57.575(9) 18_545 .
Ag14 Ag15 Ag21 178.770(15) . .
Ag14 Ag15 Ag21 120.528(11) 18_545 .
Ag14 Ag15 Ag22 123.812(13) 18_545 .
Ag14 Ag15 Ag22 117.707(10) . .
Ag15 Ag15 Ag15 60.0 2_655 3_665
Ag15 Ag15 Ag20 177.760(8) 3_665 .
Ag15 Ag15 Ag20 119.364(11) 2_655 .
Ag15 Ag15 Ag21 89.503(8) 3_665 .
Ag15 Ag15 Ag21 59.270(8) 2_655 .
Ag15 Ag15 Ag22 115.817(10) 3_665 .
Ag15 Ag15 Ag22 121.746(7) 2_655 .
Ag19 Ag15 Ag14 61.292(9) . 18_545
Ag19 Ag15 Ag14 121.628(12) . .
Ag19 Ag15 Ag14 60.112(8) 3_665 .
Ag19 Ag15 Ag14 120.447(11) 3_665 18_545
Ag19 Ag15 Ag15 60.365(10) . 2_655
Ag19 Ag15 Ag15 120.360(10) . 3_665
Ag19 Ag15 Ag15 58.786(11) 3_665 3_665
Ag19 Ag15 Ag15 118.781(11) 3_665 2_655
Ag19 Ag15 Ag19 178.237(15) . 3_665
Ag19 Ag15 Ag20 59.086(9) . .
Ag19 Ag15 Ag20 121.835(10) 3_665 .
Ag19 Ag15 Ag13 90.846(8) . .
Ag19 Ag15 Ag21 119.011(12) 3_665 .
Ag19 Ag15 Ag21 119.112(12) . 3_665
Ag19 Ag15 Ag21 59.244(9) . .
Ag19 Ag15 Ag18 118.234(14) . 3_665
Ag19 Ag15 Ag22 84.845(9) 3_665 .
Ag19 Ag15 Ag22 94.353(11) . .
Ag20 Ag15 Ag22 66.405(10) . .
Ag13 Ag15 Ag14 60.350(7) . 18_545
Ag13 Ag15 Ag14 60.343(7) . .
Ag13 Ag15 Ag15 59.845(5) . 3_665
Ag13 Ag15 Ag15 59.846(5) . 2_655
Ag13 Ag15 Ag19 89.915(9) . 3_665
Ag13 Ag15 Ag20 117.919(10) . .
Ag13 Ag15 Ag21 119.116(10) . .
Ag13 Ag15 Ag22 174.567(11) . .
Ag21 Ag15 Ag14 179.004(12) 3_665 18_545
Ag21 Ag15 Ag14 119.252(11) 3_665 .
Ag21 Ag15 Ag15 60.526(9) 3_665 3_665
Ag21 Ag15 Ag15 90.226(8) 3_665 2_655
Ag21 Ag15 Ag19 59.155(10) 3_665 3_665
Ag21 Ag15 Ag20 121.710(12) 3_665 .
Ag21 Ag15 Ag20 91.887(11) . .
Ag21 Ag15 Ag13 120.371(12) 3_665 .
Ag21 Ag15 Ag21 59.900(13) 3_665 .
Ag21 Ag15 Ag22 62.720(9) . .
Ag21 Ag15 Ag22 55.420(10) 3_665 .
Ag18 Ag15 Ag14 61.914(9) 3_665 .
Ag18 Ag15 Ag14 89.881(11) 3_665 18_545
Ag18 Ag15 Ag15 121.344(14) 3_665 3_665
Ag18 Ag15 Ag15 177.804(11) 3_665 2_655
Ag18 Ag15 Ag19 62.567(9) 3_665 3_665
Ag18 Ag15 Ag20 59.368(10) 3_665 .
Ag18 Ag15 Ag13 122.232(10) 3_665 .
Ag18 Ag15 Ag21 118.650(12) 3_665 .
Ag18 Ag15 Ag21 89.134(10) 3_665 3_665
Ag18 Ag15 Ag22 56.263(9) 3_665 .
Ag14 Ag19 Ag14 59.909(8) 2_655 18_545
Ag14 Ag19 Ag16 60.326(9) 2_655 17
Ag14 Ag19 Ag20 118.479(12) 2_655 .
Ag14 Ag19 Ag18 60.295(10) 2_655 .
Ag14 Ag19 Ag18 120.175(12) 18_545 .
Ag15 Ag19 Ag14 60.146(9) . 18_545
Ag15 Ag19 Ag14 90.378(11) . 2_655
Ag15 Ag19 Ag14 90.378(10) 2_655 18_545
Ag15 Ag19 Ag14 59.970(9) 2_655 2_655
Ag15 Ag19 Ag15 60.852(13) . 2_655
Ag15 Ag19 Ag16 120.291(12) 2_655 17
Ag15 Ag19 Ag16 118.996(12) . 17
Ag15 Ag19 Ag20 124.852(11) 2_655 .
Ag15 Ag19 Ag20 64.098(9) . .
Ag15 Ag19 Ag21 61.602(9) . .
Ag15 Ag19 Ag18 118.830(13) . .
Ag15 Ag19 Ag18 57.986(10) 2_655 .
Ag16 Ag19 Ag14 58.865(10) 17 18_545
Ag16 Ag19 Ag20 83.796(12) 17 .
Ag16 Ag19 Ag18 92.758(11) 17 .
Ag20 Ag19 Ag14 58.834(9) . 18_545
Ag20 Ag19 Ag18 176.379(14) . .
Ag21 Ag19 Ag14 121.740(11) . 18_545
Ag21 Ag19 Ag14 120.145(13) . 2_655
Ag21 Ag19 Ag15 60.189(10) . 2_655
Ag21 Ag19 Ag16 179.329(13) . 17
Ag21 Ag19 Ag20 96.289(11) . .
Ag21 Ag19 Ag18 87.143(11) . .
S10 Ag19 Ag14 110.36(2) . 18_545
S10 Ag19 Ag14 167.53(2) . 2_655
S10 Ag19 Ag15 115.01(3) . 2_655
S10 Ag19 Ag15 77.52(2) . .
S10 Ag19 Ag16 123.15(3) . 17
S10 Ag19 Ag20 53.40(2) . .
S10 Ag19 Ag21 56.51(3) . .
S10 Ag19 Ag18 128.45(2) . .
S9 Ag19 Ag14 114.52(3) . 18_545
S9 Ag19 Ag14 81.01(3) . 2_655
S9 Ag19 Ag15 114.07(3) . 2_655
S9 Ag19 Ag15 171.39(3) . .
S9 Ag19 Ag16 56.32(3) . 17
S9 Ag19 Ag20 120.07(3) . .
S9 Ag19 Ag21 123.14(3) . .
S9 Ag19 Ag18 56.72(3) . .
S9 Ag19 S10 111.07(4) . .
Ag14 Ag16 Ag14 60.394(9) 2_655 16_655
Ag14 Ag16 Ag19 60.920(8) 2_655 18_545
Ag14 Ag16 Ag20 58.893(9) 16_655 2_655
Ag14 Ag16 Ag20 92.674(11) 2_655 2_655
Ag14 Ag16 Ag18 61.656(9) 2_655 .
Ag14 Ag16 Ag17 122.831(11) 2_655 18_545
Ag14 Ag16 Ag17 66.009(9) 2_655 .
Ag14 Ag16 Ag17 62.438(10) 16_655 18_545
Ag14 Ag16 Ag17 126.369(12) 16_655 .
Ag19 Ag16 Ag14 59.715(9) 18_545 16_655
Ag19 Ag16 Ag20 118.384(12) 18_545 2_655
Ag19 Ag16 Ag17 90.506(11) 18_545 18_545
Ag19 Ag16 Ag17 96.054(12) 18_545 .
Ag20 Ag16 Ag17 56.806(10) 2_655 18_545
Ag20 Ag16 Ag17 124.141(13) 2_655 .
Ag18 Ag16 Ag14 88.440(10) . 16_655
Ag18 Ag16 Ag19 122.406(11) . 18_545
Ag18 Ag16 Ag20 60.471(10) . 2_655
Ag18 Ag16 Ag17 64.068(11) . .
Ag18 Ag16 Ag17 117.202(13) . 18_545
Ag17 Ag16 Ag17 170.984(12) . 18_545
S8 Ag16 Ag14 163.51(3) . 16_655
S8 Ag16 Ag14 117.62(3) . 2_655
S8 Ag16 Ag19 135.46(3) . 18_545
S8 Ag16 Ag20 106.11(3) . 2_655
S8 Ag16 Ag18 77.27(3) . .
S8 Ag16 Ag17 116.98(3) . 18_545
S8 Ag16 Ag17 54.07(3) . .
S8 Ag16 S9 112.39(4) . 18_545
S9 Ag16 Ag14 80.78(3) 18_545 16_655
S9 Ag16 Ag14 116.76(3) 18_545 2_655
S9 Ag16 Ag19 56.53(2) 18_545 18_545
S9 Ag16 Ag20 108.29(3) 18_545 2_655
S9 Ag16 Ag18 167.67(3) 18_545 .
S9 Ag16 Ag17 127.53(3) 18_545 .
S9 Ag16 Ag17 52.17(3) 18_545 18_545
Ag14 Ag20 Ag15 58.307(9) 18_545 .
Ag14 Ag20 Ag19 60.724(9) 18_545 .
Ag14 Ag20 Ag16 60.462(9) 18_545 3_665
Ag14 Ag20 Ag18 88.706(12) 18_545 3_665
Ag14 Ag20 Ag17 66.301(10) 18_545 17
Ag19 Ag20 Ag15 56.816(9) . .
Ag19 Ag20 Ag16 120.799(13) . 3_665
Ag19 Ag20 Ag18 113.352(13) . 3_665
Ag16 Ag20 Ag15 86.813(10) 3_665 .
Ag16 Ag20 Ag18 59.384(10) 3_665 3_665
Ag18 Ag20 Ag15 56.736(8) 3_665 .
Ag17 Ag20 Ag15 124.607(13) 17 .
Ag17 Ag20 Ag19 96.363(12) 17 .
Ag17 Ag20 Ag16 65.690(11) 17 3_665
Ag17 Ag20 Ag18 124.986(13) 17 3_665
S10 Ag20 Ag14 118.52(3) . 18_545
S10 Ag20 Ag15 76.76(3) . .
S10 Ag20 Ag19 60.01(2) . .
S10 Ag20 Ag16 159.04(3) . 3_665
S10 Ag20 Ag18 100.23(2) . 3_665
S10 Ag20 Ag17 134.75(2) . 17
S10 Ag20 S7 118.04(4) . 17
S7 Ag20 Ag14 116.62(3) 17 18_545
S7 Ag20 Ag15 161.33(3) 17 .
S7 Ag20 Ag19 139.23(3) 17 .
S7 Ag20 Ag16 75.97(3) 17 3_665
S7 Ag20 Ag18 107.08(3) 17 3_665
S7 Ag20 Ag17 54.26(3) 17 17
Ag14 Ag13 Ag14 60.0 18_545 .
Ag14 Ag13 Ag14 120.0 3_665 .
Ag14 Ag13 Ag14 180.0 16_655 .
Ag14 Ag13 Ag14 120.0 3_665 2_655
Ag14 Ag13 Ag14 60.0 18_545 2_655
Ag14 Ag13 Ag14 60.004(1) 16_655 2_655
Ag14 Ag13 Ag14 60.0 3_665 16_655
Ag14 Ag13 Ag14 180.0 3_665 18_545
Ag14 Ag13 Ag14 120.0 17 18_545
Ag14 Ag13 Ag14 60.0 3_665 17
Ag14 Ag13 Ag14 120.0 2_655 .
Ag14 Ag13 Ag14 119.999(1) 16_655 18_545
Ag14 Ag13 Ag14 60.0 17 .
Ag14 Ag13 Ag14 180.0 17 2_655
Ag14 Ag13 Ag14 120.0 16_655 17
Ag15 Ag13 Ag14 120.159(8) 18_545 17
Ag15 Ag13 Ag14 89.275(7) . 2_655
Ag15 Ag13 Ag14 120.158(8) 16_655 18_545
Ag15 Ag13 Ag14 59.836(8) 16_655 3_665
Ag15 Ag13 Ag14 120.158(8) 17 16_655
Ag15 Ag13 Ag14 120.149(7) . 16_655
Ag15 Ag13 Ag14 120.147(7) 2_655 17
Ag15 Ag13 Ag14 90.731(7) . 17
Ag15 Ag13 Ag14 90.726(7) 17 3_665
Ag15 Ag13 Ag14 120.137(7) 18_545 3_665
Ag15 Ag13 Ag14 90.728(7) 18_545 .
Ag15 Ag13 Ag14 90.726(7) 16_655 2_655
Ag15 Ag13 Ag14 59.858(7) 17 17
Ag15 Ag13 Ag14 89.270(6) 17 18_545
Ag15 Ag13 Ag14 120.167(8) 3_665 2_655
Ag15 Ag13 Ag14 120.137(7) 17 2_655
Ag15 Ag13 Ag14 59.857(7) 16_655 16_655
Ag15 Ag13 Ag14 59.836(8) . 18_545
Ag15 Ag13 Ag14 89.271(7) 18_545 16_655
Ag15 Ag13 Ag14 59.841(8) 17 .
Ag15 Ag13 Ag14 120.142(7) 16_655 .
Ag15 Ag13 Ag14 90.729(7) 2_655 18_545
Ag15 Ag13 Ag14 59.852(7) . .
Ag15 Ag13 Ag14 90.728(6) 3_665 16_655
Ag15 Ag13 Ag14 120.162(8) 2_655 .
Ag15 Ag13 Ag14 89.273(7) 3_665 .
Ag15 Ag13 Ag14 59.839(8) 2_655 16_655
Ag15 Ag13 Ag14 59.858(7) 3_665 3_665
Ag15 Ag13 Ag14 89.268(7) 16_655 17
Ag15 Ag13 Ag14 59.857(7) 18_545 18_545
Ag15 Ag13 Ag14 59.836(8) 18_545 2_655
Ag15 Ag13 Ag14 120.170(8) . 3_665
Ag15 Ag13 Ag14 59.858(7) 2_655 2_655
Ag15 Ag13 Ag14 89.276(6) 2_655 3_665
Ag15 Ag13 Ag14 120.147(7) 3_665 18_545
Ag15 Ag13 Ag14 59.838(8) 3_665 17
Ag15 Ag13 Ag15 119.686(9) 16_655 3_665
Ag15 Ag13 Ag15 60.309(9) 17 18_545
Ag15 Ag13 Ag15 119.685(9) 18_545 .
Ag15 Ag13 Ag15 60.309(9) 16_655 17
Ag15 Ag13 Ag15 180.0 18_545 3_665
Ag15 Ag13 Ag15 119.686(9) 18_545 2_655
Ag15 Ag13 Ag15 119.688(9) 17 3_665
Ag15 Ag13 Ag15 60.317(9) 3_665 2_655
Ag15 Ag13 Ag15 119.685(9) 17 .
Ag15 Ag13 Ag15 180.0 17 2_655
Ag15 Ag13 Ag15 60.318(9) . 2_655
Ag15 Ag13 Ag15 180.0 16_655 .
Ag15 Ag13 Ag15 119.688(9) 16_655 2_655
Ag15 Ag13 Ag15 60.320(9) . 3_665
Ag15 Ag13 Ag15 60.309(9) 16_655 18_545
Ag15 Ag21 Ag15 60.199(12) 2_655 .
Ag15 Ag21 Ag21 60.683(10) 2_655 2_655
Ag15 Ag21 Ag21 90.494(8) 2_655 3_665
Ag15 Ag21 Ag22 64.424(10) . .
Ag15 Ag21 Ag22 124.366(12) 2_655 .
Ag15 Ag21 Ag22 69.658(11) 2_655 2_655
Ag19 Ag21 Ag15 60.660(10) . 2_655
Ag19 Ag21 Ag15 59.154(9) . .
Ag19 Ag21 Ag21 121.298(11) . 2_655
Ag19 Ag21 Ag21 118.548(8) . 3_665
Ag19 Ag21 Ag22 95.351(12) . .
Ag19 Ag21 Ag22 93.570(11) . 2_655
Ag21 Ag21 Ag15 59.426(7) 3_665 .
Ag21 Ag21 Ag15 89.764(8) 2_655 .
Ag21 Ag21 Ag21 60.0 2_655 3_665
Ag21 Ag21 Ag22 68.308(15) 2_655 2_655
Ag21 Ag21 Ag22 127.776(14) 3_665 2_655
Ag21 Ag21 Ag22 55.899(11) 3_665 .
Ag21 Ag21 Ag22 115.484(11) 2_655 .
Ag22 Ag21 Ag15 129.684(14) 2_655 .
Ag22 Ag21 Ag22 165.889(17) 2_655 .
S12 Ag21 Ag15 166.93(2) 2_655 .
S12 Ag21 Ag15 120.61(3) 2_655 2_655
S12 Ag21 Ag19 133.63(3) 2_655 .
S12 Ag21 Ag21 80.48(2) 2_655 2_655
S12 Ag21 Ag21 107.81(2) 2_655 3_665
S12 Ag21 Ag22 54.27(3) 2_655 2_655
S12 Ag21 Ag22 112.02(3) 2_655 .
S12 Ag21 S10 110.10(3) 2_655 .
S10 Ag21 Ag15 118.78(3) . 2_655
S10 Ag21 Ag15 77.88(2) . .
S10 Ag21 Ag19 59.94(2) . .
S10 Ag21 Ag21 105.09(2) . 3_665
S10 Ag21 Ag21 164.47(2) . 2_655
S10 Ag21 Ag22 126.97(2) . 2_655
S10 Ag21 Ag22 50.60(2) . .
S12 Ag24 S12 93.77(4) . 2_655
S12 Ag24 S12 93.77(4) 3_665 2_655
S12 Ag24 S12 93.77(4) 3_665 .
P3 Ag24 S12 122.55(3) . .
P3 Ag24 S12 122.55(3) . 2_655
P3 Ag24 S12 122.55(3) . 3_665
S7 Ag23 S11 99.56(3) 18_545 2_655
S7 Ag23 S8 92.80(4) 18_545 .
S8 Ag23 S11 93.74(4) . 2_655
P2 Ag23 S7 123.07(5) . 18_545
P2 Ag23 S11 114.26(5) . 2_655
P2 Ag23 S8 126.79(5) . .
Ag3 Ag3 Ag3 60.0 3 2
Ag3 Ag3 Ag5 89.538(8) 3 2
Ag3 Ag3 Ag5 59.305(9) 2 2
Ag3 Ag3 Ag8 116.141(10) 3 .
Ag3 Ag3 Ag8 121.242(9) 2 .
Ag3 Ag3 Ag4 119.226(17) 2 .
Ag3 Ag3 Ag4 177.679(10) 3 .
Ag2 Ag3 Ag3 59.832(4) . 3
Ag2 Ag3 Ag3 59.832(4) . 2
Ag2 Ag3 Ag5 119.136(10) . 2
Ag2 Ag3 Ag8 175.203(14) . .
Ag2 Ag3 Ag4 117.847(11) . .
Ag5 Ag3 Ag3 60.452(9) . 3
Ag5 Ag3 Ag3 90.202(7) . 2
Ag5 Ag3 Ag2 120.284(10) . .
Ag5 Ag3 Ag5 59.950(13) . 2
Ag5 Ag3 Ag6 59.235(11) . .
Ag5 Ag3 Ag1 119.245(13) . 3
Ag5 Ag3 Ag1 179.124(12) . 11_556
Ag5 Ag3 Ag8 55.773(10) . .
Ag5 Ag3 Ag8 62.134(10) 2 .
Ag5 Ag3 Ag4 91.806(13) 2 .
Ag5 Ag3 Ag4 121.869(12) . .
Ag6 Ag3 Ag3 58.809(12) . 3
Ag6 Ag3 Ag3 118.806(12) . 2
Ag6 Ag3 Ag3 60.321(13) 2 2
Ag6 Ag3 Ag3 120.318(13) 2 3
Ag6 Ag3 Ag2 89.826(10) . .
Ag6 Ag3 Ag2 90.705(10) 2 .
Ag6 Ag3 Ag5 119.278(13) 2 .
Ag6 Ag3 Ag5 59.354(10) 2 2
Ag6 Ag3 Ag5 119.145(12) . 2
Ag6 Ag3 Ag6 178.455(15) 2 .
Ag6 Ag3 Ag1 61.157(10) 2 11_556
Ag6 Ag3 Ag1 120.336(12) . 11_556
Ag6 Ag3 Ag1 121.472(12) 2 3
Ag6 Ag3 Ag8 85.657(12) . .
Ag6 Ag3 Ag8 93.769(13) 2 .
Ag6 Ag3 Ag4 58.987(12) 2 .
Ag6 Ag3 Ag4 121.943(12) . .
Ag1 Ag3 Ag3 120.135(8) 3 2
Ag1 Ag3 Ag3 89.276(11) 3 3
Ag1 Ag3 Ag3 90.671(11) 11_556 2
Ag1 Ag3 Ag3 120.110(8) 11_556 3
Ag1 Ag3 Ag2 60.311(8) 3 .
Ag1 Ag3 Ag2 60.285(8) 11_556 .
Ag1 Ag3 Ag5 120.504(13) 11_556 2
Ag1 Ag3 Ag5 178.804(13) 3 2
Ag1 Ag3 Ag6 60.023(9) 3 .
Ag1 Ag3 Ag1 60.314(7) 3 11_556
Ag1 Ag3 Ag8 123.622(12) 11_556 .
Ag1 Ag3 Ag8 118.318(12) 3 .
Ag1 Ag3 Ag4 89.384(10) 3 .
Ag1 Ag3 Ag4 57.569(10) 11_556 .
Ag4 Ag3 Ag8 66.175(10) . .
Ag9 Ag3 Ag3 177.573(13) . 2
Ag9 Ag3 Ag3 121.290(18) . 3
Ag9 Ag3 Ag2 122.530(12) . .
Ag9 Ag3 Ag5 88.875(12) . .
Ag9 Ag3 Ag5 118.332(13) . 2
Ag9 Ag3 Ag6 62.501(11) . .
Ag9 Ag3 Ag6 118.320(14) . 2
Ag9 Ag3 Ag1 62.238(11) . 3
Ag9 Ag3 Ag1 90.250(11) . 11_556
Ag9 Ag3 Ag8 56.461(10) . .
Ag9 Ag3 Ag4 59.573(12) . .
Ag14 Ag18 Ag19 58.459(9) 2_655 .
Ag14 Ag18 Ag17 62.887(9) 2_655 .
Ag15 Ag18 Ag14 59.809(8) 2_655 2_655
Ag15 Ag18 Ag19 59.441(9) 2_655 .
Ag15 Ag18 Ag16 91.336(11) 2_655 .
Ag15 Ag18 Ag20 63.897(10) 2_655 2_655
Ag15 Ag18 Ag17 122.693(12) 2_655 .
Ag15 Ag18 Ag22 69.674(11) 2_655 2_655
Ag19 Ag18 Ag17 90.418(12) . .
Ag16 Ag18 Ag14 58.616(9) . 2_655
Ag16 Ag18 Ag19 116.998(12) . .
Ag16 Ag18 Ag20 60.158(11) . 2_655
Ag16 Ag18 Ag17 58.386(11) . .
Ag16 Ag18 Ag22 133.129(15) . 2_655
Ag20 Ag18 Ag14 90.701(11) 2_655 2_655
Ag20 Ag18 Ag19 123.236(12) 2_655 .
Ag20 Ag18 Ag17 118.191(13) 2_655 .
Ag22 Ag18 Ag14 128.891(12) 2_655 2_655
Ag22 Ag18 Ag19 90.284(12) 2_655 .
Ag22 Ag18 Ag20 73.082(11) 2_655 2_655
Ag22 Ag18 Ag17 165.423(14) 2_655 .
S11 Ag18 Ag14 167.41(3) 2_655 2_655
S11 Ag18 Ag15 119.54(2) 2_655 2_655
S11 Ag18 Ag19 133.35(3) 2_655 .
S11 Ag18 Ag16 109.62(3) 2_655 .
S11 Ag18 Ag20 78.62(2) 2_655 2_655
S11 Ag18 Ag17 116.38(2) 2_655 .
S11 Ag18 Ag22 54.40(3) 2_655 2_655
S11 Ag18 S9 110.84(3) 2_655 .
S9 Ag18 Ag14 79.13(2) . 2_655
S9 Ag18 Ag15 113.83(2) . 2_655
S9 Ag18 Ag19 55.021(19) . .
S9 Ag18 Ag16 109.69(3) . .
S9 Ag18 Ag20 168.72(3) . 2_655
S9 Ag18 Ag17 52.66(3) . .
S9 Ag18 Ag22 117.17(3) . 2_655
Ag3 Ag2 Ag3 180.0 . 10_556
Ag3 Ag2 Ag3 119.657(7) 2 10_556
Ag3 Ag2 Ag3 60.343(7) 12_556 11_556
Ag3 Ag2 Ag3 119.657(7) 3 10_556
Ag3 Ag2 Ag3 60.344(7) . 2
Ag3 Ag2 Ag3 60.343(7) 3 2
Ag3 Ag2 Ag3 60.344(7) . 3
Ag3 Ag2 Ag3 180.0 12_556 3
Ag3 Ag2 Ag3 119.657(7) 3 11_556
Ag3 Ag2 Ag3 60.343(7) 12_556 10_556
Ag3 Ag2 Ag3 180.0 11_556 2
Ag3 Ag2 Ag3 119.656(7) . 11_556
Ag3 Ag2 Ag3 119.657(7) 12_556 2
Ag3 Ag2 Ag3 60.343(7) 11_556 10_556
Ag3 Ag2 Ag3 119.656(7) . 12_556
Ag3 Ag2 Ag1 120.142(7) 11_556 12_556
Ag3 Ag2 Ag1 120.193(7) 12_556 2
Ag3 Ag2 Ag1 59.858(7) 3 10_556
Ag3 Ag2 Ag1 59.858(7) 2 12_556
Ag3 Ag2 Ag1 120.193(7) 3 11_556
Ag3 Ag2 Ag1 59.807(7) 12_556 11_556
Ag3 Ag2 Ag1 120.193(7) 2 10_556
Ag3 Ag2 Ag1 120.135(7) 3 .
Ag3 Ag2 Ag1 89.280(8) 2 2
Ag3 Ag2 Ag1 90.720(8) 11_556 2
Ag3 Ag2 Ag1 120.142(7) 10_556 11_556
Ag3 Ag2 Ag1 120.200(7) 11_556 .
Ag3 Ag2 Ag1 120.142(7) 12_556 10_556
Ag3 Ag2 Ag1 89.280(8) 11_556 11_556
Ag3 Ag2 Ag1 59.807(7) 11_556 10_556
Ag3 Ag2 Ag1 59.800(7) 2 .
Ag3 Ag2 Ag1 59.865(7) 12_556 .
Ag3 Ag2 Ag1 120.143(7) . 2
Ag3 Ag2 Ag1 120.193(7) 10_556 3
Ag3 Ag2 Ag1 89.280(8) 10_556 10_556
Ag3 Ag2 Ag1 89.275(8) . .
Ag3 Ag2 Ag1 89.280(8) 3 3
Ag3 Ag2 Ag1 90.720(8) . 10_556
Ag3 Ag2 Ag1 59.807(7) 3 2
Ag3 Ag2 Ag1 90.725(8) 10_556 .
Ag3 Ag2 Ag1 59.858(7) 10_556 2
Ag3 Ag2 Ag1 120.195(7) . 12_556
Ag3 Ag2 Ag1 59.807(7) 10_556 12_556
Ag3 Ag2 Ag1 89.280(8) 12_556 12_556
Ag3 Ag2 Ag1 120.142(7) 2 3
Ag3 Ag2 Ag1 90.720(8) 3 12_556
Ag3 Ag2 Ag1 59.805(7) . 3
Ag3 Ag2 Ag1 90.720(8) 2 11_556
Ag3 Ag2 Ag1 59.858(7) 11_556 3
Ag3 Ag2 Ag1 90.720(8) 12_556 3
Ag3 Ag2 Ag1 59.857(7) . 11_556
Ag1 Ag2 Ag1 60.0 3 11_556
Ag1 Ag2 Ag1 60.0 12_556 2
Ag1 Ag2 Ag1 60.0 . 11_556
Ag1 Ag2 Ag1 119.997(1) 12_556 10_556
Ag1 Ag2 Ag1 120.0 . 3
Ag1 Ag2 Ag1 60.0 . 12_556
Ag1 Ag2 Ag1 180.0 2 11_556
Ag1 Ag2 Ag1 180.0 . 10_556
Ag1 Ag2 Ag1 60.0 3 10_556
Ag1 Ag2 Ag1 120.0 3 2
Ag1 Ag2 Ag1 120.0 . 2
Ag1 Ag2 Ag1 119.997(1) 11_556 10_556
Ag1 Ag2 Ag1 60.0 2 10_556
Ag1 Ag2 Ag1 180.0 12_556 3
Ag1 Ag2 Ag1 120.0 12_556 11_556
Ag14 Ag17 Ag16 55.039(7) 2_655 17
Ag16 Ag17 Ag14 56.080(9) . 2_655
Ag16 Ag17 Ag16 111.095(11) . 17
Ag16 Ag17 Ag18 57.546(11) . .
Ag20 Ag17 Ag14 56.412(9) 18_545 2_655
Ag20 Ag17 Ag16 57.509(9) 18_545 17
Ag20 Ag17 Ag16 83.765(11) 18_545 .
Ag20 Ag17 Ag18 112.832(12) 18_545 .
Ag18 Ag17 Ag14 56.459(8) . 2_655
Ag18 Ag17 Ag16 86.047(10) . 17
S7 Ag17 Ag14 110.10(2) . 2_655
S7 Ag17 Ag16 72.97(2) . 17
S7 Ag17 Ag16 131.80(3) . .
S7 Ag17 Ag20 57.20(2) . 18_545
S7 Ag17 Ag18 158.93(3) . .
S7 Ag17 S9 107.92(4) . .
S8 Ag17 Ag14 109.50(3) . 2_655
S8 Ag17 Ag16 55.54(3) . .
S8 Ag17 Ag16 160.20(3) . 17
S8 Ag17 Ag20 127.59(3) . 18_545
S8 Ag17 Ag18 74.40(3) . .
S8 Ag17 S7 126.66(4) . .
S8 Ag17 S9 114.77(4) . .
S9 Ag17 Ag14 76.88(2) . 2_655
S9 Ag17 Ag16 53.24(2) . 17
S9 Ag17 Ag16 111.72(3) . .
S9 Ag17 Ag20 110.04(2) . 18_545
S9 Ag17 Ag18 55.58(3) . .
Ag3 Ag5 Ag3 60.240(10) . 3
Ag3 Ag5 Ag5 90.459(8) . 3
Ag3 Ag5 Ag5 60.608(11) . 2
Ag3 Ag5 Ag8 69.247(11) . .
Ag3 Ag5 Ag8 124.692(12) . 3
Ag3 Ag5 Ag8 64.663(10) 3 3
Ag5 Ag5 Ag3 59.450(9) 3 3
Ag5 Ag5 Ag3 89.791(7) 2 3
Ag5 Ag5 Ag5 60.0 3 2
Ag5 Ag5 Ag8 126.808(16) 3 .
Ag5 Ag5 Ag8 67.335(16) 2 .
Ag5 Ag5 Ag8 116.096(11) 2 3
Ag5 Ag5 Ag8 56.520(11) 3 3
Ag6 Ag5 Ag3 59.170(10) . 3
Ag6 Ag5 Ag3 60.587(11) . .
Ag6 Ag5 Ag5 118.594(8) . 3
Ag6 Ag5 Ag5 121.154(11) . 2
Ag6 Ag5 Ag8 95.215(13) . 3
Ag6 Ag5 Ag8 93.960(12) . .
Ag8 Ag5 Ag3 129.378(14) . 3
Ag8 Ag5 Ag8 165.940(18) . 3
S1 Ag5 Ag3 120.25(3) . .
S1 Ag5 Ag3 166.48(3) . 3
S1 Ag5 Ag5 79.93(3) . 2
S1 Ag5 Ag5 107.41(3) . 3
S1 Ag5 Ag6 133.97(3) . .
S1 Ag5 Ag8 54.20(3) . .
S1 Ag5 Ag8 112.06(3) . 3
S1 Ag5 S2 109.96(4) . .
S2 Ag5 Ag3 78.72(3) . 3
S2 Ag5 Ag3 118.78(3) . .
S2 Ag5 Ag5 165.72(2) . 2
S2 Ag5 Ag5 106.35(2) . 3
S2 Ag5 Ag6 59.71(3) . .
S2 Ag5 Ag8 51.20(2) . 3
S2 Ag5 Ag8 126.68(2) . .
Ag3 Ag6 Ag3 60.871(10) 3 .
Ag3 Ag6 Ag5 61.484(9) 3 .
Ag3 Ag6 Ag1 59.959(10) . 3
Ag3 Ag6 Ag1 60.182(9) 3 10_556
Ag3 Ag6 Ag1 90.419(12) . 10_556
Ag3 Ag6 Ag1 90.429(12) 3 3
Ag3 Ag6 Ag4 124.806(12) . 3
Ag3 Ag6 Ag4 64.028(10) 3 3
Ag3 Ag6 Ag7 120.199(14) . .
Ag3 Ag6 Ag7 119.081(12) 3 .
Ag3 Ag6 Ag9 118.823(14) 3 .
Ag3 Ag6 Ag9 57.970(10) . .
Ag5 Ag6 Ag3 60.177(11) . .
Ag5 Ag6 Ag1 121.659(11) . 10_556
Ag5 Ag6 Ag1 120.124(15) . 3
Ag5 Ag6 Ag4 96.098(12) . 3
Ag5 Ag6 Ag7 179.399(14) . .
Ag5 Ag6 Ag9 86.859(12) . .
Ag1 Ag6 Ag1 59.969(9) 3 10_556
Ag1 Ag6 Ag4 118.601(13) 3 3
Ag1 Ag6 Ag7 60.244(11) 3 .
Ag1 Ag6 Ag9 60.656(10) 3 .
Ag1 Ag6 Ag9 120.593(13) 10_556 .
Ag4 Ag6 Ag1 58.884(10) 3 10_556
Ag4 Ag6 Ag9 176.732(16) 3 .
Ag7 Ag6 Ag1 58.910(10) . 10_556
Ag7 Ag6 Ag4 84.050(13) . 3
Ag7 Ag6 Ag9 92.979(12) . .
S2 Ag6 Ag3 115.11(3) . .
S2 Ag6 Ag3 78.31(2) . 3
S2 Ag6 Ag5 56.35(3) . .
S2 Ag6 Ag1 168.48(2) . 3
S2 Ag6 Ag1 111.30(2) . 10_556
S2 Ag6 Ag4 54.16(2) . 3
S2 Ag6 Ag7 123.40(3) . .
S2 Ag6 Ag9 127.15(3) . .
S4 Ag6 Ag3 113.26(4) . .
S4 Ag6 Ag3 170.62(3) . 3
S4 Ag6 Ag5 123.30(3) . .
S4 Ag6 Ag1 114.31(3) . 10_556
S4 Ag6 Ag1 80.19(3) . 3
S4 Ag6 Ag4 120.86(4) . 3
S4 Ag6 Ag7 56.18(3) . .
S4 Ag6 Ag9 56.07(4) . .
S4 Ag6 S2 111.07(4) . .
Ag3 Ag1 Ag3 119.742(14) 2 12_556
Ag3 Ag1 Ag2 59.891(7) 2 .
Ag3 Ag1 Ag2 59.859(7) 12_556 .
Ag3 Ag1 Ag6 60.026(11) 2 2
Ag3 Ag1 Ag6 119.402(12) 2 10_556
Ag3 Ag1 Ag6 58.652(10) 12_556 10_556
Ag3 Ag1 Ag1 59.803(10) 12_556 11_556
Ag3 Ag1 Ag1 59.888(10) 2 12_556
Ag3 Ag1 Ag1 90.770(10) 2 11_556
Ag3 Ag1 Ag1 89.275(10) 12_556 12_556
Ag3 Ag1 Ag7 89.885(10) 12_556 2
Ag3 Ag1 Ag7 120.103(12) 2 2
Ag3 Ag1 Ag9 58.131(9) 2 2
Ag3 Ag1 Ag9 176.934(14) 12_556 2
Ag3 Ag1 Ag10 121.285(13) 12_556 2
Ag3 Ag1 Ag10 118.903(13) 2 2
Ag2 Ag1 Ag6 89.018(10) . 10_556
Ag2 Ag1 Ag1 60.0 . 12_556
Ag2 Ag1 Ag1 60.0 . 11_556
Ag2 Ag1 Ag7 119.024(9) . 2
Ag2 Ag1 Ag9 118.004(11) . 2
Ag2 Ag1 Ag10 177.877(13) . 2
Ag6 Ag1 Ag3 120.295(11) 2 12_556
Ag6 Ag1 Ag2 89.583(9) 2 .
Ag6 Ag1 Ag6 178.570(16) 2 10_556
Ag6 Ag1 Ag1 119.912(15) 2 12_556
Ag6 Ag1 Ag1 60.501(11) 2 11_556
Ag6 Ag1 Ag7 60.081(10) 2 2
Ag6 Ag1 Ag9 119.910(12) 10_556 2
Ag6 Ag1 Ag9 61.088(10) 2 2
Ag6 Ag1 Ag10 91.174(12) 2 2
Ag6 Ag1 Ag10 90.234(13) 10_556 2
Ag1 Ag1 Ag6 118.455(14) 11_556 10_556
Ag1 Ag1 Ag6 59.523(11) 12_556 10_556
Ag1 Ag1 Ag1 119.990(1) 12_556 11_556
Ag1 Ag1 Ag7 59.029(9) 11_556 2
Ag1 Ag1 Ag7 178.966(14) 12_556 2
Ag1 Ag1 Ag9 121.556(15) 11_556 2
Ag1 Ag1 Ag9 87.694(14) 12_556 2
Ag1 Ag1 Ag10 122.065(12) 11_556 2
Ag1 Ag1 Ag10 117.944(12) 12_556 2
Ag4 Ag1 Ag3 64.018(10) 12_556 12_556
Ag4 Ag1 Ag3 175.845(14) 12_556 2
Ag4 Ag1 Ag2 123.868(12) 12_556 .
Ag4 Ag1 Ag6 120.301(13) 12_556 2
Ag4 Ag1 Ag6 60.378(11) 12_556 10_556
Ag4 Ag1 Ag1 92.847(14) 12_556 11_556
Ag4 Ag1 Ag1 119.644(15) 12_556 12_556
Ag4 Ag1 Ag7 60.451(11) 12_556 2
Ag4 Ag1 Ag9 118.033(14) 12_556 2
Ag4 Ag1 Ag10 57.276(12) 12_556 2
Ag7 Ag1 Ag3 90.830(11) 10_556 2
Ag7 Ag1 Ag3 118.892(13) 10_556 12_556
Ag7 Ag1 Ag2 120.541(11) 10_556 .
Ag7 Ag1 Ag6 120.813(13) 10_556 2
Ag7 Ag1 Ag6 60.251(10) 10_556 10_556
Ag7 Ag1 Ag6 120.456(13) 2 10_556
Ag7 Ag1 Ag1 60.546(11) 10_556 12_556
Ag7 Ag1 Ag1 178.330(17) 10_556 11_556
Ag7 Ag1 Ag4 85.572(14) 10_556 12_556
Ag7 Ag1 Ag7 120.425(13) 10_556 2
Ag7 Ag1 Ag9 59.806(11) 10_556 2
Ag7 Ag1 Ag9 93.140(13) 2 2
Ag7 Ag1 Ag10 57.412(13) 10_556 2
Ag7 Ag1 Ag10 63.036(12) 2 2
Ag9 Ag1 Ag10 60.773(11) 2 2
Ag21 Ag22 Ag15 54.915(10) 3_665 .
Ag21 Ag22 Ag15 52.856(8) . .
Ag21 Ag22 Ag21 55.790(14) 3_665 .
Ag21 Ag22 Ag18 87.299(13) 3_665 3_665
Ag18 Ag22 Ag15 54.048(9) 3_665 .
Ag18 Ag22 Ag21 106.638(13) 3_665 .
S12 Ag22 Ag15 107.83(3) . .
S12 Ag22 Ag21 74.20(2) . .
S12 Ag22 Ag21 55.54(3) . 3_665
S12 Ag22 Ag18 135.48(3) . 3_665
S12 Ag22 S10 113.13(3) . .
S12 Ag22 S11 137.82(4) . .
S10 Ag22 Ag15 72.03(3) . .
S10 Ag22 Ag21 52.61(3) . .
S10 Ag22 Ag21 106.94(3) . 3_665
S10 Ag22 Ag18 99.69(3) . 3_665
S11 Ag22 Ag15 105.97(3) . .
S11 Ag22 Ag21 147.87(3) . .
S11 Ag22 Ag21 136.87(3) . 3_665
S11 Ag22 Ag18 55.46(3) . 3_665
S11 Ag22 S10 100.74(4) . .
S1 Ag11 S1 92.65(4) 2 3
S1 Ag11 S1 92.65(4) 2 .
S1 Ag11 S1 92.65(4) 3 .
P1 Ag11 S1 123.36(3) . 3
P1 Ag11 S1 123.36(3) . 2
P1 Ag11 S1 123.37(3) . .
Ag5 Ag8 Ag3 54.980(10) . .
Ag5 Ag8 Ag3 53.209(9) 2 .
Ag5 Ag8 Ag5 56.145(13) . 2
Ag5 Ag8 Ag9 86.767(14) . .
Ag9 Ag8 Ag3 54.088(10) . .
Ag9 Ag8 Ag5 107.084(14) . 2
S1 Ag8 Ag3 107.86(3) . .
S1 Ag8 Ag5 74.34(3) . 2
S1 Ag8 Ag5 55.43(3) . .
S1 Ag8 Ag9 134.49(4) . .
S1 Ag8 S2 113.30(4) . 2
S1 Ag8 S3 137.49(5) . .
S2 Ag8 Ag3 72.78(3) 2 .
S2 Ag8 Ag5 107.58(3) 2 .
S2 Ag8 Ag5 52.85(3) 2 2
S2 Ag8 Ag9 100.86(3) 2 .
S3 Ag8 Ag3 105.73(3) . .
S3 Ag8 Ag5 136.29(4) . .
S3 Ag8 Ag5 148.10(4) . 2
S3 Ag8 Ag9 55.35(3) . .
S3 Ag8 S2 100.96(5) . 2
Ag6 Ag4 Ag3 56.984(9) 2 .
Ag6 Ag4 Ag9 113.448(13) 2 .
Ag1 Ag4 Ag3 58.405(10) 11_556 .
Ag1 Ag4 Ag6 60.728(10) 11_556 2
Ag1 Ag4 Ag7 60.491(11) 11_556 12_556
Ag1 Ag4 Ag9 88.975(13) 11_556 .
Ag1 Ag4 Ag10 66.537(12) 11_556 12_556
Ag7 Ag4 Ag3 86.839(12) 12_556 .
Ag7 Ag4 Ag6 120.843(14) 12_556 2
Ag7 Ag4 Ag9 59.666(12) 12_556 .
Ag9 Ag4 Ag3 56.683(10) . .
Ag10 Ag4 Ag3 124.932(14) 12_556 .
Ag10 Ag4 Ag6 95.862(16) 12_556 2
Ag10 Ag4 Ag7 66.425(13) 12_556 12_556
Ag10 Ag4 Ag9 125.998(17) 12_556 .
S2 Ag4 Ag3 77.15(3) 2 .
S2 Ag4 Ag6 59.59(3) 2 2
S2 Ag4 Ag1 118.32(3) 2 11_556
S2 Ag4 Ag7 159.86(3) 2 12_556
S2 Ag4 Ag9 100.83(3) 2 .
S2 Ag4 Ag10 133.14(3) 2 12_556
S2 Ag4 S6 117.27(5) 2 12_556
S6 Ag4 Ag3 162.05(4) 12_556 .
S6 Ag4 Ag6 138.46(4) 12_556 2
S6 Ag4 Ag1 116.78(4) 12_556 11_556
S6 Ag4 Ag7 76.59(4) 12_556 12_556
S6 Ag4 Ag9 107.82(4) 12_556 .
S6 Ag4 Ag10 54.16(4) 12_556 12_556
Ag6 Ag7 Ag1 59.680(11) . 3
Ag6 Ag7 Ag4 118.502(16) . 11_556
Ag6 Ag7 Ag9 122.490(12) . 11_556
Ag6 Ag7 Ag10 90.603(13) . .
Ag6 Ag7 Ag10 95.902(12) . 11_556
Ag1 Ag7 Ag6 60.839(10) 10_556 .
Ag1 Ag7 Ag1 60.425(13) 10_556 3
Ag1 Ag7 Ag4 92.839(13) 10_556 11_556
Ag1 Ag7 Ag9 61.805(10) 10_556 11_556
Ag1 Ag7 Ag10 66.497(10) 10_556 11_556
Ag1 Ag7 Ag10 62.416(12) 3 .
Ag1 Ag7 Ag10 122.840(16) 10_556 .
Ag4 Ag7 Ag1 59.045(11) 11_556 3
Ag4 Ag7 Ag10 124.750(16) 11_556 11_556
Ag4 Ag7 Ag10 56.706(12) 11_556 .
Ag9 Ag7 Ag1 88.714(12) 11_556 3
Ag9 Ag7 Ag4 60.638(13) 11_556 11_556
Ag9 Ag7 Ag10 117.266(16) 11_556 .
Ag9 Ag7 Ag10 64.549(13) 11_556 11_556
Ag10 Ag7 Ag1 126.904(13) 11_556 3
Ag10 Ag7 Ag10 170.564(16) 11_556 .
S4 Ag7 Ag6 56.71(3) . .
S4 Ag7 Ag1 80.15(4) . 3
S4 Ag7 Ag1 116.73(3) . 10_556
S4 Ag7 Ag4 107.53(3) . 11_556
S4 Ag7 Ag9 167.11(4) . 11_556
S4 Ag7 Ag10 127.67(4) . 11_556
S4 Ag7 Ag10 51.53(3) . .
S5 Ag7 Ag6 135.48(3) . .
S5 Ag7 Ag1 118.40(3) . 10_556
S5 Ag7 Ag1 163.86(4) . 3
S5 Ag7 Ag4 106.00(3) . 11_556
S5 Ag7 Ag9 77.69(3) . 11_556
S5 Ag7 Ag10 116.28(3) . .
S5 Ag7 Ag10 54.43(3) . 11_556
S5 Ag7 S4 112.18(5) . .
Ag3 Ag9 Ag6 59.529(10) . .
Ag3 Ag9 Ag1 59.636(10) . 3
Ag3 Ag9 Ag8 69.451(11) . .
Ag3 Ag9 Ag4 63.744(11) . .
Ag3 Ag9 Ag7 90.880(14) . 12_556
Ag3 Ag9 Ag10 122.441(14) . .
Ag6 Ag9 Ag10 90.788(14) . .
Ag1 Ag9 Ag6 58.267(9) 3 .
Ag1 Ag9 Ag10 62.807(11) 3 .
Ag8 Ag9 Ag6 91.021(12) . .
Ag8 Ag9 Ag1 128.617(13) . 3
Ag8 Ag9 Ag4 72.523(14) . .
Ag8 Ag9 Ag10 166.667(17) . .
Ag4 Ag9 Ag6 123.137(13) . .
Ag4 Ag9 Ag1 90.270(13) . 3
Ag4 Ag9 Ag10 117.054(16) . .
Ag7 Ag9 Ag6 116.582(13) 12_556 .
Ag7 Ag9 Ag1 58.389(10) 12_556 3
Ag7 Ag9 Ag8 132.118(19) 12_556 .
Ag7 Ag9 Ag4 59.693(12) 12_556 .
Ag7 Ag9 Ag10 57.736(13) 12_556 .
S4 Ag9 Ag3 114.18(3) . .
S4 Ag9 Ag6 55.44(2) . .
S4 Ag9 Ag1 78.56(3) . 3
S4 Ag9 Ag8 119.23(3) . .
S4 Ag9 Ag4 167.31(3) . .
S4 Ag9 Ag7 108.64(3) . 12_556
S4 Ag9 Ag10 52.34(3) . .
S3 Ag9 Ag3 119.17(4) . .
S3 Ag9 Ag6 134.51(3) . .
S3 Ag9 Ag1 166.22(4) . 3
S3 Ag9 Ag8 54.46(3) . .
S3 Ag9 Ag4 77.83(4) . .
S3 Ag9 Ag7 108.84(4) . 12_556
S3 Ag9 Ag10 116.47(3) . .
S3 Ag9 S4 112.41(5) . .
S5 Ag12 S3 94.21(4) 12_556 .
S6 Ag12 S3 99.24(5) 12_556 .
S6 Ag12 S5 92.99(5) 12_556 12_556
P16 Ag12 S3 114.72(6) . .
P16 Ag12 S5 126.60(7) . 12_556
P16 Ag12 S6 122.56(8) . 12_556
Ag1 Ag10 Ag7 54.545(9) 3 .
Ag4 Ag10 Ag1 56.180(10) 11_556 3
Ag4 Ag10 Ag7 84.126(14) 11_556 12_556
Ag4 Ag10 Ag7 56.869(12) 11_556 .
Ag4 Ag10 Ag9 112.581(13) 11_556 .
Ag7 Ag10 Ag1 56.090(10) 12_556 3
Ag7 Ag10 Ag7 110.617(16) 12_556 .
Ag7 Ag10 Ag9 57.705(13) 12_556 .
Ag9 Ag10 Ag1 56.416(10) . 3
Ag9 Ag10 Ag7 85.407(12) . .
S4 Ag10 Ag1 76.06(3) . 3
S4 Ag10 Ag4 108.99(3) . 11_556
S4 Ag10 Ag7 110.98(4) . 12_556
S4 Ag10 Ag7 52.85(3) . .
S4 Ag10 Ag9 54.78(4) . .
S5 Ag10 Ag1 109.41(4) 12_556 3
S5 Ag10 Ag4 128.22(4) 12_556 11_556
S5 Ag10 Ag7 55.47(4) 12_556 12_556
S5 Ag10 Ag7 159.59(4) 12_556 .
S5 Ag10 Ag9 74.46(4) 12_556 .
S5 Ag10 S4 114.70(5) 12_556 .
S5 Ag10 S6 127.48(5) 12_556 .
S6 Ag10 Ag1 109.56(3) . 3
S6 Ag10 Ag4 56.83(3) . 11_556
S6 Ag10 Ag7 72.73(3) . .
S6 Ag10 Ag7 131.96(4) . 12_556
S6 Ag10 Ag9 158.04(4) . .
S6 Ag10 S4 107.82(6) . .
Ag21 S12 Ag24 101.61(4) 3_665 .
Ag22 S12 Ag21 70.19(3) . 3_665
Ag22 S12 Ag24 139.28(4) . .
C83 S12 Ag21 104.96(18) . 3_665
C83 S12 Ag24 109.82(19) . .
C83 S12 Ag22 110.82(19) . .
Ag20 S10 Ag19 66.59(3) . .
Ag20 S10 Ag21 111.17(4) . .
Ag20 S10 Ag22 85.60(3) . .
Ag21 S10 Ag19 63.55(3) . .
Ag22 S10 Ag19 115.73(4) . .
Ag22 S10 Ag21 76.79(3) . .
C71 S10 Ag19 137.54(14) . .
C71 S10 Ag20 118.89(19) . .
C71 S10 Ag21 129.94(19) . .
C71 S10 Ag22 106.73(14) . .
Ag23 S7 Ag20 97.06(3) 17 18_545
Ag17 S7 Ag20 68.55(3) . 18_545
Ag17 S7 Ag23 142.84(4) . 17
C53 S7 Ag20 121.81(18) . 18_545
C53 S7 Ag23 106.49(19) . 17
C53 S7 Ag17 110.17(19) . .
Ag18 S11 Ag23 97.68(4) 3_665 3_665
Ag22 S11 Ag23 144.80(4) . 3_665
Ag22 S11 Ag18 70.13(3) . 3_665
C77 S11 Ag23 97.4(2) . 3_665
C77 S11 Ag18 110.7(2) . 3_665
C77 S11 Ag22 117.8(2) . .
Ag5 S1 Ag11 102.51(3) . .
Ag8 S1 Ag5 70.36(3) . .
Ag8 S1 Ag11 139.55(6) . .
C1 S1 Ag5 106.55(19) . .
C1 S1 Ag11 109.06(16) . .
C1 S1 Ag8 111.11(16) . .
Ag16 S8 Ag23 99.71(4) . .
Ag17 S8 Ag16 70.39(3) . .
Ag17 S8 Ag23 138.75(5) . .
C59 S8 Ag16 109.05(17) . .
C59 S8 Ag23 111.87(19) . .
C59 S8 Ag17 109.1(2) . .
Ag19 S9 Ag18 68.26(3) . .
Ag16 S9 Ag19 67.15(2) 17 .
Ag16 S9 Ag18 106.85(4) 17 .
Ag17 S9 Ag19 111.40(4) . .
Ag17 S9 Ag16 74.59(3) . 17
Ag17 S9 Ag18 71.76(3) . .
C65 S9 Ag19 138.22(15) . .
C65 S9 Ag16 119.14(18) . 17
C65 S9 Ag18 132.89(17) . .
C65 S9 Ag17 109.85(15) . .
Ag5 S2 Ag6 63.94(3) . .
Ag8 S2 Ag5 75.95(4) 3 .
Ag8 S2 Ag6 114.85(5) 3 .
Ag4 S2 Ag5 110.37(5) 3 .
Ag4 S2 Ag6 66.26(3) 3 .
Ag4 S2 Ag8 84.42(3) 3 3
C7 S2 Ag5 126.9(2) . .
C7 S2 Ag6 137.02(16) . .
C7 S2 Ag8 108.02(17) . 3
C7 S2 Ag4 122.7(2) . 3
Ag6 S4 Ag9 68.48(4) . .
Ag7 S4 Ag6 67.11(3) . .
Ag7 S4 Ag9 107.95(5) . .
Ag10 S4 Ag6 112.54(5) . .
Ag10 S4 Ag7 75.62(4) . .
Ag10 S4 Ag9 72.88(4) . .
C24 S4 Ag6 138.0(2) . .
C24 S4 Ag7 121.6(2) . .
C24 S4 Ag9 129.6(2) . .
C24 S4 Ag10 109.28(19) . .
Ag8 S3 Ag9 70.19(3) . .
Ag8 S3 Ag12 144.77(7) . .
Ag9 S3 Ag12 98.09(4) . .
C13 S3 Ag8 117.7(2) . .
C13 S3 Ag9 112.9(3) . .
C13 S3 Ag12 97.5(2) . .
Ag7 S5 Ag12 99.83(5) . 11_556
Ag10 S5 Ag7 70.10(4) 11_556 .
Ag10 S5 Ag12 138.89(6) 11_556 11_556
C25 S5 Ag7 109.0(2) . .
C25 S5 Ag12 109.92(18) . 11_556
C25 S5 Ag10 111.02(18) . 11_556
Ag12 S6 Ag4 96.88(4) 11_556 11_556
Ag10 S6 Ag4 69.00(4) . 11_556
Ag10 S6 Ag12 142.97(6) . 11_556
C31 S6 Ag4 120.47(19) . 11_556
C31 S6 Ag12 107.80(19) . 11_556
C31 S6 Ag10 108.80(19) . .
C93 P2 Ag23 114.8(2) . .
C97 P2 Ag23 115.5(2) . .
C97 P2 C93 104.9(3) . .
C89 P2 Ag23 115.9(2) . .
C89 P2 C93 101.8(4) . .
C89 P2 C97 102.0(4) . .
C37 P1 Ag11 115.5(3) . .
C37 P1 Ag11 115.5(3) 3 .
C37 P1 Ag11 115.5(3) 2 .
C37 P1 C37 102.8(3) . 2
C37 P1 C37 102.8(3) 2 3
C37 P1 C37 102.8(3) . 3
C102 P3 Ag24 113.6(3) 2_655 .
C102 P3 Ag24 113.6(3) 3_665 .
C102 P3 Ag24 113.6(3) . .
C102 P3 C102 105.1(3) . 2_655
C102 P3 C102 105.1(3) . 3_665
C102 P3 C102 105.1(3) 3_665 2_655
C41 P16 Ag12 115.1(4) . .
C45 P16 Ag12 114.6(3) . .
C45 P16 C41 90.2(6) . .
C49 P16 Ag12 117.9(4) . .
C49 P16 C41 117.2(6) . .
C49 P16 C45 96.4(5) . .
C58 C53 S7 119.6(4) . .
C54 C53 S7 121.9(3) . .
C54 C53 C58 118.5(4) . .
C70 C65 S9 121.3(4) . .
C70 C65 C66 119.2(4) . .
C66 C65 S9 119.5(4) . .
C69 C70 C65 119.3(5) . .
C81 C82 C77 118.4(6) . .
C72 C71 S10 120.9(4) . .
C76 C71 S10 120.3(4) . .
C76 C71 C72 118.8(6) . .
C12 C7 S2 120.4(5) . .
C8 C7 S2 120.3(5) . .
C8 C7 C12 119.3(6) . .
C57 C58 C53 121.4(6) . .
C68 C67 C66 118.4(6) . .
C1 C6 C5 121.0(6) . .
C67 C66 C65 120.0(5) . .
C64 C59 S8 116.7(5) . .
C64 C59 C60 121.6(5) . .
C60 C59 S8 121.6(3) . .
C57 C56 F13 120.1(5) . .
C55 C56 F13 120.4(7) . .
C55 C56 C57 119.5(5) . .
C82 C77 S11 119.7(5) . .
C82 C77 C78 119.4(5) . .
C78 C77 S11 120.6(4) . .
C55 C54 C53 118.4(5) . .
F17 C68 C69 120.0(5) . .
C67 C68 F17 118.6(6) . .
C67 C68 C69 121.2(5) . .
C73 C72 C71 118.9(6) . .
C59 C64 C63 118.7(7) . .
C22 C23 C24 118.8(7) . .
C11 C12 C7 118.8(6) . .
C75 C76 C71 119.0(5) . .
C6 C1 S1 121.2(5) . .
C2 C1 S1 120.0(5) . .
C2 C1 C6 118.6(6) . .
C56 C57 C58 119.4(5) . .
F14A C57 C58 130.9(11) . .
F14A C57 C56 109.2(10) . .
C23 C24 S4 119.8(5) . .
C19 C24 S4 119.7(5) . .
C19 C24 C23 120.4(6) . .
C84 C83 S12 118.4(4) . .
C88 C83 S12 120.8(5) . .
C88 C83 C84 120.8(5) . .
C59 C60 C61 118.6(5) . .
C95 C94 C93 112.3(5) . .
F22 C81 C82 119.5(7) . .
C80 C81 C82 122.3(6) . .
C80 C81 F22 118.2(5) . .
C70 C69 C68 121.8(5) . .
F18 C69 C70 120.7(6) . .
F18 C69 C68 117.4(5) . .
C26 C25 S5 122.6(5) . .
C26 C25 C30 119.1(6) . .
C30 C25 S5 118.3(5) . .
C83 C84 C85 118.5(6) . .
C1 C2 C3 118.1(6) . .
C62 C61 C60 118.3(7) . .
F23 C86 C85 117.9(7) . .
C87 C86 F23 121.9(6) . .
C87 C86 C85 120.1(6) . .
F24 C85 C84 121.2(7) . .
F24 C85 C86 118.4(6) . .
C86 C85 C84 120.4(7) . .
C94 C95 C96 113.7(5) . .
C27 C26 C25 120.9(6) . .
C56 C55 C54 122.8(6) . .
C56 C55 F14 117.0(5) . .
F14 C55 C54 120.2(5) . .
C76 C75 F20 118.5(6) . .
C74 C75 C76 121.8(6) . .
C74 C75 F20 119.3(7) . .
C83 C88 C87 120.1(7) . .
C94 C93 P2 113.6(4) . .
F15 C62 C61 118.4(7) . .
C63 C62 F15 119.2(5) . .
C63 C62 C61 122.4(6) . .
C75 C74 F19 119.6(5) . .
C73 C74 F19 119.2(6) . .
C73 C74 C75 121.1(7) . .
F2 C3 C2 122.3(6) . .
F2 C3 C4 113.6(8) . .
C4 C3 C2 124.1(7) . .
F16 C63 C64 121.1(8) . .
F16 C63 C62 118.5(7) . .
C62 C63 C64 120.4(6) . .
C18 C13 S3 119.1(6) . .
C14 C13 S3 120.4(6) . .
C14 C13 C18 120.4(7) . .
C86 C87 C88 120.0(7) . .
C98 C97 P2 108.7(5) . .
C77 C78 C79 120.1(6) . .
C13 C18 C17 116.0(8) . .
C24 C19 C20 117.9(7) . .
C13 C14 C15 118.0(8) . .
C7 C8 C9 119.7(7) . .
C38 C37 P1 111.4(7) . .
C99 C98 C97 113.2(8) . .
C31 C32 C33 120.0 . .
C32 C31 S6 118.2(2) . .
C32 C31 C36 120.0 . .
C36 C31 S6 121.6(2) . .
C35 C36 C31 120.0 . .
F12 C35 C36 126.5(5) . .
F12 C35 C34 113.4(5) . .
C34 C35 C36 120.0 . .
C35 C34 C33 120.0 . .
F11 C34 C35 119.6(5) . .
F11 C34 C33 120.3(5) . .
C34 C33 C32 120.0 . .
C3 C4 F1 118.5(7) . .
C5 C4 F1 122.3(7) . .
C5 C4 C3 119.1(8) . .
C12 C11 F4 121.1(7) . .
C12 C11 C10 123.6(7) . .
C10 C11 F4 114.7(8) . .
C28 C27 C26 117.9(7) . .
C74 C73 C72 120.3(7) . .
F3 C10 C11 121.6(7) . .
C9 C10 F3 120.4(7) . .
C9 C10 C11 118.0(8) . .
C81 C80 F21 119.7(7) . .
C81 C80 C79 121.2(6) . .
C79 C80 F21 119.2(8) . .
C10 C9 C8 120.6(7) . .
C4 C5 C6 119.1(7) . .
C80 C79 C78 118.6(8) . .
C80 C79 F22A 114.9(11) . .
F22A C79 C78 120.1(11) . .
F7 C21 C22 119.1(8) . .
C20 C21 F7 120.5(9) . .
C20 C21 C22 120.2(8) . .
C90 C89 P2 114.4(6) . .
C89 C90 C91 111.0(8) . .
C21 C20 C19 121.5(9) . .
C103 C102 P3 112.8(6) . .
F9 C28 C29 119.9(7) . .
C27 C28 F9 118.6(7) . .
C27 C28 C29 121.2(8) . .
C39 C38 C37 119.3(12) . .
F6 C17 C18 116.4(10) . .
C16 C17 C18 123.9(11) . .
C16 C17 F6 119.2(10) . .
C43 C42 C41 103.6(9) . .
C104 C103 C102 117.1(8) . .
C105 C104 C103 108.9(9) . .
C29 C30 C25 119.7(8) . .
C92 C91 C90 105.0(11) . .
C21 C22 C23 120.9(8) . .
F8 C22 C23 118.8(9) . .
F8 C22 C21 120.3(8) . .
C38 C39 C40 109.7(14) . .
C42 C41 P16 102.6(8) . .
C100 C99 C98 107.3(7) . .
F10 C29 C28 116.0(9) . .
F10 C29 C30 122.4(9) . .
C30 C29 C28 120.9(7) . .
C16 C15 C14 118.9(10) . .
C42 C43 C44 104.5(11) . .
C101 C100 C99 109.0(8) . .
C17 C16 F5 118.7(11) . .
C17 C16 C15 122.0(10) . .
C15 C16 F5 118.6(11) . .
C111 B1 C112 107.9(6) . .
C123 B1 C112 102.6(6) . .
C123 B1 C111 107.0(7) . .
C123 B1 C118 133.1(8) . .
C118 B1 C112 88.0(6) . .
C118 B1 C111 112.8(6) . .
C51 C50 C49 126.9(9) . .
C120 C121 C120 116.6(4) 2_545 .
C120 C121 C120 116.7(4) 2_545 3_655
C120 C121 C120 116.6(4) . 3_655
C46 C45 P16 122.9(5) . .
C112 C117 C116 120.0 . .
C117 C112 B1 112.9(5) . .
C113 C112 B1 124.4(5) . .
C113 C112 C117 120.0 . .
C112 C113 C114 120.0 . .
C115 C114 C113 120.0 . .
C114 C115 C116 120.0 . .
C115 C116 C117 120.0 . .
C50 C49 P16 125.8(7) . .
C106 C111 B1 100.2(6) . .
C106 C111 C110 120.0 . .
C110 C111 B1 139.8(6) . .
C111 C106 C107 120.0 . .
C108 C107 C106 120.0 . .
C109 C108 C107 120.0 . .
C125 C108 C107 112.8(8) 2_545 .
C125 C108 C109 67.1(9) 2_545 .
C108 C109 C125 53.2(10) . 2_545
C110 C109 C108 120.0 . .
C110 C109 C125 117.9(7) . 2_545
C111 C110 C126 82.7(5) . 2_545
C109 C110 C111 120.0 . .
C109 C110 C126 109.9(6) . 2_545
C123 C124 C125 124.6(8) . .
C52 C51 C50 127.4(11) . .
C108 C125 C109 59.8(12) 3_655 3_655
C108 C125 C124 115.6(15) 3_655 .
C124 C125 C109 117.4(16) . 3_655
C48 C47 C46 118.1(6) . .
C124 C123 B1 138.6(10) . .
C126 C123 B1 96.7(7) . .
C126 C123 C124 124.5(11) . .
C45 C46 C47 119.3(6) . .
C123 C126 C110 104.3(12) . 3_655
C118 C119 C120 128.3(7) . .
C119 C118 B1 117.9(7) . .
C119 C118 C122 127.3(13) . .
C122 C118 B1 114.1(13) . .
C119 C120 C121 126.8(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag14 Ag14 2.8945(2) 17
Ag14 Ag14 2.8943(2) 18_545
Ag14 Ag15 2.8798(4) 17
Ag14 Ag15 2.8800(3) .
Ag14 Ag19 2.8843(4) 3_665
Ag14 Ag19 2.9116(4) 17
Ag14 Ag16 2.8517(4) 3_665
Ag14 Ag16 2.9025(3) 16_655
Ag14 Ag20 2.8567(4) 17
Ag14 Ag13 2.8942(2) .
Ag14 Ag18 2.9399(4) 3_665
Ag14 Ag17 3.1396(4) 3_665
Ag15 Ag14 2.8793(4) 18_545
Ag15 Ag15 2.8927(5) 3_665
Ag15 Ag15 2.8926(5) 2_655
Ag15 Ag19 2.8788(4) 3_665
Ag15 Ag19 2.8325(3) .
Ag15 Ag20 3.0445(5) .
Ag15 Ag13 2.8786(3) .
Ag15 Ag21 2.8660(4) 3_665
Ag15 Ag21 2.9022(4) .
Ag15 Ag18 2.8348(3) 3_665
Ag15 Ag22 3.2841(5) .
Ag19 Ag14 2.8847(4) 2_655
Ag19 Ag14 2.9117(4) 18_545
Ag19 Ag15 2.8788(4) 2_655
Ag19 Ag16 2.8915(4) 17
Ag19 Ag20 2.9037(4) .
Ag19 Ag21 2.8352(4) .
Ag19 Ag18 2.9674(4) .
Ag19 S10 2.7406(11) .
Ag19 S9 2.6175(9) .
Ag16 Ag14 2.8517(4) 2_655
Ag16 Ag14 2.9024(3) 16_655
Ag16 Ag19 2.8914(4) 18_545
Ag16 Ag20 2.9081(4) 2_655
Ag16 Ag18 2.8849(4) .
Ag16 Ag17 2.9115(5) .
Ag16 Ag17 3.1419(4) 18_545
Ag16 S8 2.5484(10) .
Ag16 S9 2.6112(11) 18_545
Ag20 Ag14 2.8563(4) 18_545
Ag20 Ag16 2.9078(4) 3_665
Ag20 Ag18 2.9172(4) 3_665
Ag20 Ag17 2.8848(4) 17
Ag20 S10 2.5404(11) .
Ag20 S7 2.6055(10) 17
Ag13 Ag14 2.8943(2) 2_655
Ag13 Ag14 2.8942(2) 18_545
Ag13 Ag14 2.8943(2) 17
Ag13 Ag14 2.8943(2) 16_655
Ag13 Ag14 2.8943(2) 3_665
Ag13 Ag15 2.8791(3) 17
Ag13 Ag15 2.8791(3) 18_545
Ag13 Ag15 2.8791(3) 16_655
Ag13 Ag15 2.8789(3) 2_655
Ag13 Ag15 2.8789(3) 3_665
Ag21 Ag15 2.8654(4) 2_655
Ag21 Ag21 2.8799(5) 3_665
Ag21 Ag21 2.8799(5) 2_655
Ag21 Ag22 2.8836(5) 2_655
Ag21 Ag22 3.2359(4) .
Ag21 S12 2.5274(12) 2_655
Ag21 S10 2.6409(13) .
Ag24 S12 2.6281(11) 2_655
Ag24 S12 2.6280(11) .
Ag24 S12 2.6281(11) 3_665
Ag24 P3 2.388(3) .
Ag23 S7 2.5882(13) 18_545
Ag23 S11 2.6789(13) 2_655
Ag23 S8 2.6217(13) .
Ag23 P2 2.3927(13) .
Ag3 Ag3 2.8959(3) 3
Ag3 Ag3 2.8959(3) 2
Ag3 Ag2 2.8809(3) .
Ag3 Ag5 2.9025(4) 2
Ag3 Ag5 2.8686(4) .
Ag3 Ag6 2.8359(4) 2
Ag3 Ag6 2.8803(5) .
Ag3 Ag1 2.8786(4) 3
Ag3 Ag1 2.8808(4) 11_556
Ag3 Ag8 3.2755(4) .
Ag3 Ag4 3.0406(4) .
Ag3 Ag9 2.8331(4) .
Ag18 Ag14 2.9399(4) 2_655
Ag18 Ag15 2.8347(3) 2_655
Ag18 Ag20 2.9172(4) 2_655
Ag18 Ag17 3.0746(4) .
Ag18 Ag22 2.9121(5) 2_655
Ag18 S11 2.5510(12) 2_655
Ag18 S9 2.6706(13) .
Ag2 Ag3 2.8811(2) 11_556
Ag2 Ag3 2.8811(2) 2
Ag2 Ag3 2.8811(2) 3
Ag2 Ag3 2.8811(2) 12_556
Ag2 Ag3 2.8811(2) 10_556
Ag2 Ag1 2.8933(3) 12_556
Ag2 Ag1 2.8933(3) 11_556
Ag2 Ag1 2.8932(3) .
Ag2 Ag1 2.8933(3) 2
Ag2 Ag1 2.8933(3) 3
Ag2 Ag1 2.8933(3) 10_556
Ag17 Ag14 3.1396(4) 2_655
Ag17 Ag16 3.1417(4) 17
Ag17 Ag20 2.8854(4) 18_545
Ag17 S7 2.5162(13) .
Ag17 S8 2.5027(12) .
Ag17 S9 2.5737(12) .
Ag5 Ag3 2.9020(4) 3
Ag5 Ag5 2.8835(6) 2
Ag5 Ag5 2.8835(6) 3
Ag5 Ag6 2.8412(4) .
Ag5 Ag8 2.8961(4) .
Ag5 Ag8 3.2041(4) 3
Ag5 S1 2.5322(11) .
Ag5 S2 2.6325(14) .
Ag6 Ag3 2.8360(4) 3
Ag6 Ag1 2.8804(4) 3
Ag6 Ag1 2.9088(4) 10_556
Ag6 Ag4 2.8988(4) 3
Ag6 Ag7 2.8920(5) .
Ag6 Ag9 2.9643(4) .
Ag6 S2 2.7309(12) .
Ag6 S4 2.6242(11) .
Ag1 Ag3 2.8784(4) 2
Ag1 Ag3 2.8813(4) 12_556
Ag1 Ag6 2.8799(4) 2
Ag1 Ag6 2.9087(4) 10_556
Ag1 Ag1 2.8933(3) 12_556
Ag1 Ag1 2.8934(3) 11_556
Ag1 Ag4 2.8550(4) 12_556
Ag1 Ag7 2.8525(4) 10_556
Ag1 Ag7 2.8969(5) 2
Ag1 Ag9 2.9519(4) 2
Ag1 Ag10 3.1520(5) 2
Ag22 Ag21 2.8837(5) 3_665
Ag22 Ag18 2.9121(5) 3_665
Ag22 S12 2.4878(13) .
Ag22 S10 2.5685(9) .
Ag22 S11 2.5179(12) .
Ag11 S1 2.6373(11) 3
Ag11 S1 2.6373(11) .
Ag11 S1 2.6373(11) 2
Ag11 P1 2.405(3) .
Ag8 Ag5 3.2041(4) 2
Ag8 Ag9 2.9157(5) .
Ag8 S1 2.4940(12) .
Ag8 S2 2.5742(11) 2
Ag8 S3 2.5218(12) .
Ag4 Ag6 2.8986(4) 2
Ag4 Ag1 2.8547(4) 11_556
Ag4 Ag7 2.8958(5) 12_556
Ag4 Ag9 2.9234(6) .
Ag4 Ag10 2.8909(5) 12_556
Ag4 S2 2.5670(12) 2
Ag4 S6 2.5918(13) 12_556
Ag7 Ag1 2.8968(5) 3
Ag7 Ag1 2.8526(4) 10_556
Ag7 Ag4 2.8961(5) 11_556
Ag7 Ag9 2.8952(5) 11_556
Ag7 Ag10 2.8960(6) 11_556
Ag7 Ag10 3.1697(5) .
Ag7 S4 2.6080(13) .
Ag7 S5 2.5372(16) .
Ag9 Ag1 2.9522(4) 3
Ag9 Ag7 2.8950(5) 12_556
Ag9 Ag10 3.0927(5) .
Ag9 S4 2.6438(17) .
Ag9 S3 2.5493(13) .
Ag12 S3 2.6710(14) .
Ag12 S5 2.6133(14) 12_556
Ag12 S6 2.5794(19) 12_556
Ag12 P16 2.3937(19) .
Ag10 Ag1 3.1520(5) 3
Ag10 Ag4 2.8907(5) 11_556
Ag10 Ag7 2.8960(6) 12_556
Ag10 S4 2.5619(14) .
Ag10 S5 2.5050(11) 12_556
Ag10 S6 2.5103(17) .
S12 Ag21 2.5272(12) 3_665
S12 C83 1.796(4) .
S10 C71 1.789(6) .
S7 Ag20 2.6059(10) 18_545
S7 Ag23 2.5879(13) 17
S7 C53 1.768(4) .
S11 Ag23 2.6791(13) 3_665
S11 Ag18 2.5508(12) 3_665
S11 C77 1.794(5) .
S1 C1 1.781(6) .
S8 C59 1.809(5) .
S9 Ag16 2.6109(11) 17
S9 C65 1.745(5) .
S2 Ag8 2.5742(11) 3
S2 Ag4 2.5669(12) 3
S2 C7 1.754(6) .
S4 C24 1.761(6) .
S3 C13 1.794(8) .
S5 Ag12 2.6127(14) 11_556
S5 Ag10 2.5051(11) 11_556
S5 C25 1.782(6) .
S6 Ag4 2.5918(13) 11_556
S6 Ag12 2.5792(19) 11_556
S6 C31 1.804(4) .
P2 C93 1.848(7) .
P2 C97 1.826(7) .
P2 C89 1.800(9) .
P1 C37 1.824(7) 2
P1 C37 1.824(7) 3
P1 C37 1.824(8) .
P3 C102 1.842(9) 3_665
P3 C102 1.842(9) .
P3 C102 1.842(9) 2_655
P16 C41 1.824(12) .
P16 C45 1.801(7) .
P16 C49 1.695(12) .
F13 C56 1.361(7) .
F17 C68 1.361(7) .
C53 C58 1.397(7) .
C53 C54 1.376(8) .
C65 C70 1.389(7) .
C65 C66 1.408(7) .
C70 C69 1.347(8) .
C82 C77 1.379(8) .
C82 C81 1.367(7) .
C71 C72 1.393(8) .
C71 C76 1.374(7) .
C7 C12 1.377(8) .
C7 C8 1.369(9) .
C58 C57 1.361(7) .
C67 C66 1.408(8) .
C67 C68 1.351(8) .
C6 C1 1.360(8) .
C6 C5 1.422(12) .
C59 C64 1.371(7) .
C59 C60 1.385(8) .
C56 C57 1.362(11) .
C56 C55 1.349(8) .
C77 C78 1.384(10) .
C54 C55 1.371(7) .
C68 C69 1.378(9) .
C72 C73 1.394(11) .
C64 C63 1.377(10) .
C23 C24 1.381(9) .
C23 C22 1.376(11) .
C12 C11 1.348(12) .
C76 C75 1.361(10) .
C1 C2 1.342(9) .
C57 F14A 1.140(15) .
C24 C19 1.378(9) .
F23 C86 1.361(7) .
F24 C85 1.321(10) .
F15 C62 1.363(8) .
F14 C55 1.356(9) .
F19 C74 1.366(9) .
F18 C69 1.320(8) .
C83 C84 1.358(10) .
C83 C88 1.354(8) .
F1 C4 1.364(10) .
C60 C61 1.406(8) .
C94 C95 1.496(9) .
C94 C93 1.506(10) .
F20 C75 1.371(7) .
F22 C81 1.362(8) .
C81 C80 1.325(12) .
F16 C63 1.314(8) .
C25 C26 1.392(9) .
C25 C30 1.392(10) .
F9 C28 1.376(9) .
C84 C85 1.398(8) .
F21 C80 1.368(8) .
F2 C3 1.292(10) .
C2 C3 1.375(11) .
C61 C62 1.366(8) .
F12 C35 1.253(8) .
F3 C10 1.347(10) .
C86 C85 1.371(11) .
C86 C87 1.336(11) .
C95 C96 1.512(12) .
C26 C27 1.386(10) .
C75 C74 1.330(9) .
C88 C87 1.393(8) .
C62 C63 1.350(11) .
C74 C73 1.314(9) .
C3 C4 1.333(9) .
C13 C18 1.382(11) .
C13 C14 1.377(10) .
C97 C98 1.656(14) .
C78 C79 1.392(9) .
C18 C17 1.395(13) .
C19 C20 1.409(12) .
C14 C15 1.423(14) .
C8 C9 1.400(12) .
C37 C38 1.581(12) .
F7 C21 1.353(11) .
F4 C11 1.380(9) .
C98 C99 1.563(12) .
F6 C17 1.369(13) .
C32 C31 1.3900 .
C32 C33 1.3900 .
C31 C36 1.3900 .
C36 C35 1.3900 .
C35 C34 1.3900 .
C34 C33 1.3900 .
C34 F11 1.321(7) .
C4 C5 1.300(11) .
C11 C10 1.358(11) .
C27 C28 1.371(10) .
C10 C9 1.345(10) .
C80 C79 1.354(11) .
C79 F22A 1.39(2) .
C21 C20 1.318(13) .
C21 C22 1.368(14) .
C89 C90 1.550(11) .
C90 C91 1.562(16) .
C102 C103 1.608(16) .
C28 C29 1.380(12) .
C38 C39 1.368(15) .
C17 C16 1.256(16) .
F8 C22 1.343(11) .
C42 C41 1.738(16) .
C42 C43 1.534(15) .
F5 C16 1.372(12) .
F10 C29 1.326(11) .
C103 C104 1.602(14) .
C104 C105 1.537(19) .
C92 C91 1.516(18) .
C30 C29 1.344(12) .
C40 C39 1.548(19) .
C99 C100 1.518(10) .
C15 C16 1.322(16) .
C43 C44 1.613(17) .
C100 C101 1.518(11) .
B1 C112 1.864(11) .
B1 C111 1.819(15) .
B1 C123 1.599(14) .
B1 C118 1.767(12) .
C50 C49 1.445(16) .
C50 C51 1.444(17) .
C121 C120 1.351(8) 2_545
C121 C120 1.351(8) 3_655
C121 C120 1.351(8) .
C45 C46 1.458(10) .
C117 C112 1.3900 .
C117 C116 1.3900 .
C112 C113 1.3900 .
C113 C114 1.3900 .
C114 C115 1.3900 .
C115 C116 1.3900 .
C111 C106 1.3900 .
C111 C110 1.3900 .
C106 C107 1.3900 .
C107 C108 1.3900 .
C108 C109 1.3900 .
C108 C125 1.29(2) 2_545
C109 C110 1.3900 .
C109 C125 1.48(2) 2_545
C110 C126 2.010(17) 2_545
C52 C51 1.39(2) .
C124 C125 1.364(11) .
C124 C123 1.355(8) .
C125 C108 1.29(3) 3_655
C125 C109 1.48(3) 3_655
C47 C46 1.500(10) .
C47 C48 1.490(12) .
C123 C126 1.351(13) .
C126 C110 2.01(3) 3_655
C119 C118 1.339(10) .
C119 C120 1.341(9) .
C122 C118 1.346(11) .
