#------------------------------------------------------------------------------
#$Date: 2024-07-05 16:14:57 +0300 (Fri, 05 Jul 2024) $
#$Revision: 292776 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/29/7132979.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_7132979
loop_
_publ_author_name
'Zhao, Zichen'
'Zhao, Mengyun'
'Deng, Lan'
'Li, Qing'
'Zhang, Jing'
'Su, Haifeng'
'Lv, Hongjin'
'Yang, Guo-Yu'
_publ_section_title
;
 Two structurally new Lindqvist hexaniobate-templated silver thiolate
 clusters.
;
_journal_issue                   41
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5415
_journal_page_last               5418
_journal_paper_doi               10.1039/d4cc00681j
_journal_volume                  60
_journal_year                    2024
_chemical_absolute_configuration rmad
_chemical_formula_moiety
'C82 H183 Ag41 K Nb6 O31 S26.5, 2[H3O], 2[H9O4], 1.5[H2O]'
_chemical_formula_sum            'C82 H210 Ag41 K Nb6 O42.5 S26.5'
_chemical_formula_weight         7745.31
_space_group_crystal_system      tetragonal
_space_group_IT_number           94
_space_group_name_Hall           'P 4n 2n'
_space_group_name_H-M_alt        'P 42 21 2'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_audit_creation_date             2024-04-17
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-04-17 deposited with the CCDC.	2024-04-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   32.1512(5)
_cell_length_b                   32.1512(5)
_cell_length_c                   17.6732(3)
_cell_measurement_reflns_used    22600
_cell_measurement_temperature    179.99(10)
_cell_measurement_theta_max      23.7790
_cell_measurement_theta_min      2.3650
_cell_volume                     18268.8(5)
_computing_cell_refinement       'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      179.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.858
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -45.00  30.00   0.50   10.00    --   11.28 -27.00  34.00  150
  2  ω     64.00  90.00   0.50   10.00    --   11.28 178.00  30.00   52
  3  ω    -74.00 -30.00   0.50   10.00    --   11.28 -19.00 120.00   88
  4  ω      5.00  30.00   0.50   10.00    --  -14.56 -99.00-150.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0124823000
_diffrn_orient_matrix_UB_12      0.0178648000
_diffrn_orient_matrix_UB_13      0.0062399000
_diffrn_orient_matrix_UB_21      -0.0164247000
_diffrn_orient_matrix_UB_22      0.0128692000
_diffrn_orient_matrix_UB_23      -0.0130424000
_diffrn_orient_matrix_UB_31      -0.0077949000
_diffrn_orient_matrix_UB_32      0.0014957000
_diffrn_orient_matrix_UB_33      0.0374429000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_av_unetI/netI     0.0920
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.858
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            77451
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.824
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.141
_diffrn_reflns_theta_min         2.003
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    5.017
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.21501
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.816
_exptl_crystal_description       plate
_exptl_crystal_F_000             14632
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.542
_refine_diff_density_min         -2.224
_refine_diff_density_rms         0.228
_refine_ls_abs_structure_details
;
 Flack x determined using 4233 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.009(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     796
_refine_ls_number_reflns         22246
_refine_ls_number_restraints     314
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.1399
_refine_ls_R_factor_gt           0.0800
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1310P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2074
_refine_ls_wR_factor_ref         0.2356
_reflns_Friedel_coverage         0.769
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.783
_reflns_number_gt                12930
_reflns_number_total             22246
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc00681j2.cif
_cod_data_source_block           2_auto
_cod_depositor_comments
'Adding full bibliography for 7132978--7132979.cif.'
_cod_original_cell_volume        18268.8(6)
_cod_original_formula_sum        'C82 H210 Ag41 K Nb6 O42.50 S26.50'
_cod_database_code               7132979
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.434
_shelx_estimated_absorpt_t_min   0.314
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Shared sites
{Ag29, K1}
2. Restrained distances
 C34-C36
 2.5 with sigma of 0.02
 C36-C35
 1.5 with sigma of 0.02
 C34-C35
 1.5 with sigma of 0.02
 C9-C7
 2.5 with sigma of 0.02
 O14-O13
 2.5 with sigma of 0.02
 C1-C3
 2.5 with sigma of 0.02
 S1-C2
 1.9 with sigma of 0.02
 C3-C2
 1.6 with sigma of 0.02
 C2-C1
 1.6 with sigma of 0.02
 C31-C33
 2.5 with sigma of 0.02
 C32-C33
 1.5 with sigma of 0.02
 C31-C32
 1.5 with sigma of 0.02
 S11-C32
 1.9 with sigma of 0.02
 C20-C19
 1.5 with sigma of 0.02
 C21-C20
 1.5 with sigma of 0.02
 C21-C19
 2.7 with sigma of 0.02
 C12-C10
 2.5 with sigma of 0.02
 C12-C11
 1.5 with sigma of 0.02
 C11-C10
 1.5 with sigma of 0.02
 C30-C29
 1.5 with sigma of 0.02
 C30-C28
 2.5 with sigma of 0.02
 C28-C29
 1.5 with sigma of 0.02
 C13-C15
 2.5 with sigma of 0.02
 C14-C15
 1.5 with sigma of 0.02
 C14-C13
 1.5 with sigma of 0.02
 C41-O16
 1.4 with sigma of 0.02
 C41-C42
 1.6 with sigma of 0.02
 C23-C22
 1.5 with sigma of 0.02
 C24-C23
 1.5 with sigma of 0.02
 C24-C22
 2.5 with sigma of 0.02
 S8-C23
 1.9 with sigma of 0.02
 O15-C41
 1.4 with sigma of 0.02
 O15-O16
 2 with sigma of 0.02
 C37-C38
 1.6 with sigma of 0.02
 C18-C17
 1.5 with sigma of 0.02
 C18-C16
 2.5 with sigma of 0.02
 S6-C17
 1.9 with sigma of 0.02
 C17-C16
 1.5 with sigma of 0.02
 O12-C37
 1.1 with sigma of 0.02
 O19-Ag12
 2.6 with sigma of 0.02
 Ag12-O19
 2.55 with sigma of 0.02
 O16-O15
 2.01 with sigma of 0.02
 Ag27-O16
 2.2 with sigma of 0.02
 Ag7-O15
 2.2 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O16: within 1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
1.7A
C38: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08 within
1.7A
O19: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C25) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C27) \\sim Ueq: with sigma of
0.0025 and sigma for terminal atoms of 0.005
Uanis(C35) \\sim Ueq, Uanis(C36) \\sim Ueq: with sigma of 0.0025 and sigma for
terminal atoms of 0.005
Uanis(C7) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C9) \\sim Ueq: with sigma of
0.025 and sigma for terminal atoms of 0.01
Uanis(C6) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C4) \\sim Ueq: with sigma of
0.1 and sigma for terminal atoms of 0.2
Uanis(C3) \\sim Ueq, Uanis(C2) \\sim Ueq: with sigma of 0.05 and sigma for
terminal atoms of 0.1
Uanis(O14) \\sim Ueq: with sigma of 0.0025 and sigma for terminal atoms of 0.005
Uanis(C39) \\sim Ueq, Uanis(C40) \\sim Ueq: with sigma of 0.0025 and sigma for
terminal atoms of 0.001
Uanis(C31) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C33) \\sim Ueq: with sigma of
0.0025 and sigma for terminal atoms of 0.005
Uanis(C21) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of
0.0025 and sigma for terminal atoms of 0.005
Uanis(C12) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C10) \\sim Ueq: with sigma of
0.0025 and sigma for terminal atoms of 0.005
Uanis(C28) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C30) \\sim Ueq: with sigma of
0.0025 and sigma for terminal atoms of 0.005
Uanis(C14) \\sim Ueq, Uanis(C15) \\sim Ueq: with sigma of 0.0025 and sigma for
terminal atoms of 0.005
Uanis(C13) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15) \\sim Ueq: with sigma of
0.0025 and sigma for terminal atoms of 0.005
Uanis(C41) \\sim Ueq, Uanis(C42) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O16) \\sim Ueq: with sigma of 0.00025 and sigma for terminal atoms of
0.0005
Uanis(C24) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C22) \\sim Ueq: with sigma of
0.0025 and sigma for terminal atoms of 0.005
Uanis(O15) \\sim Ueq: with sigma of 0.00025 and sigma for terminal atoms of
0.0005
Uanis(O12) \\sim Ueq: with sigma of 0.0025 and sigma for terminal atoms of 0.005
Uanis(C38) \\sim Ueq: with sigma of 0.0025 and sigma for terminal atoms of 0.001
Uanis(C37) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C18) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C16) \\sim Ueq: with sigma of
0.0025 and sigma for terminal atoms of 0.005
Uanis(O19) \\sim Ueq: with sigma of 0.0025 and sigma for terminal atoms of 0.005
Uanis(Ag29) = Uanis(K1)
Uanis(C34) = Uanis(C35) = Uanis(C36)
Uanis(C3) = Uanis(C2)
Uanis(C40) = Uanis(C39)
Uanis(C3) = Uanis(C2) = Uanis(C1)
Uanis(C31) = Uanis(C32) = Uanis(C33)
Uanis(C20) = Uanis(C21) = Uanis(C19)
Uanis(C12) = Uanis(C11) = Uanis(C10)
Uanis(C28) = Uanis(C29) = Uanis(C30)
Uanis(C13) = Uanis(C14) = Uanis(C15)
Uanis(C41) = Uanis(C42)
Uanis(C24) = Uanis(C23) = Uanis(C22)
Uanis(O15) = Uanis(O16)
Uanis(C38) = Uanis(C37)
Uanis(C18) = Uanis(C17) = Uanis(C16)
4. Others
 Sof(Ag20)=1-FVAR(1)
 Sof(Ag19)=FVAR(1)
 Sof(Ag26)=1-FVAR(2)
 Sof(Ag25)=FVAR(2)
 Sof(Ag28)=1-FVAR(3)
 Sof(Ag27)=FVAR(3)
 Sof(Ag21)=1-FVAR(4)
 Sof(Ag22)=FVAR(4)
 Sof(Ag16)=1-FVAR(5)
 Sof(Ag15)=FVAR(5)
 Sof(Ag14)=1-FVAR(6)
 Sof(Ag13)=FVAR(6)
 Sof(Ag23)=1-FVAR(7)
 Sof(Ag24)=FVAR(7)
 Sof(Ag18)=1-FVAR(8)
 Sof(Ag17)=FVAR(8)
 Sof(Ag30)=1-FVAR(9)
 Sof(Ag12)=FVAR(9)
 Fixed Sof: Ag29(0.5) K1(0.5) H38A(0.5) H38B(0.5) H38C(0.5)
 Fixed X: C39(0.374439) C40(0.36727) C41(0.50762) C42(0.55612) C37(0.126141)
 C38(0.0909)
 Fixed Y: C39(0.02603) C40(-0.01712) C41(0.11905) C42(0.10557) C37(0.126141)
 C38(0.0909)
 Fixed Z: C39(0.456509) C40(0.448) C41(0.56079) C42(0.563351) C37(0.5) C38(0.5)
5.a Riding coordinates:
 C17(H17), C26(H26), C27(H27A,H27B,H27C), C25(H25A,H25B,H25C), C35(H35),
 C36(H36A,H36B,H36C), C34(H34A,H34B,H34C), C8(H8), C9(H9A,H9B,H9C), C7(H7A,H7B,
 H7C), C5(H5), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C2(H2), C3(H3A,H3B,H3C),
 C40(H40A,H40B,H40C), C1(H1A,H1B,H1C), C32(H32), C31(H31A,H31B,H31C), C33(H33A,
 H33B,H33C), C20(H20), C19(H19A,H19B,H19C), C21(H21A,H21B,H21C), C12(H12A,H12B,
 H12C), C11(H11), C10(H10A,H10B,H10C), C30(H30A,H30B,H30C), C29(H29), C28(H28A,
 H28B,H28C), C14(H14), C15(H15A,H15B,H15C), C13(H13A,H13B,H13C), C42(H42A,H42B,
 H42C), C24(H24A,H24B,H24C), C23(H23), C22(H22A,H22B,H22C), C38(H38A,H38B,H38C),
  C16(H16A,H16B,H16C), C18(H18A,H18B,H18C)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.572
_oxdiff_exptl_absorpt_empirical_full_min 0.451
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y, x, -z'
'-y, -x, -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_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
Nb3 Nb 0.36642(5) 0.26275(5) 0.51636(8) 0.0307(3) Uani 1 1 d . . . . .
Nb1 Nb 0.26293(5) 0.26293(5) 0.500000 0.0309(5) Uani 1 2 d S T P A .
Nb2 Nb 0.32108(5) 0.30901(5) 0.36639(8) 0.0334(4) Uani 1 1 d . . . . .
Nb4 Nb 0.36741(5) 0.36741(5) 0.500000 0.0382(5) Uani 1 2 d S T P A .
Ag1 Ag 0.21354(6) 0.15118(6) 0.53462(9) 0.0603(5) Uani 1 1 d . . . . .
Ag2 Ag 0.24355(7) 0.19167(6) 0.34718(10) 0.0649(5) Uani 1 1 d . . . . .
Ag8 Ag 0.41183(6) 0.18719(6) 0.64962(10) 0.0633(5) Uani 1 1 d . . . . .
Ag11 Ag 0.25956(7) 0.38576(6) 0.25406(10) 0.0700(6) Uani 1 1 d . . . . .
Ag10 Ag 0.36094(7) 0.24039(7) 0.21871(14) 0.0754(6) Uani 1 1 d . . . . .
Ag9 Ag 0.42765(7) 0.23073(7) 0.35364(12) 0.0753(6) Uani 1 1 d . . . . .
Ag3 Ag 0.16966(7) 0.30311(7) 0.41132(15) 0.0802(7) Uani 1 1 d . . . . .
Ag4 Ag 0.22947(7) 0.28888(9) 0.28431(13) 0.0967(9) Uani 1 1 d . . . . .
Ag5 Ag 0.33508(8) 0.19834(7) 0.36547(15) 0.0896(8) Uani 1 1 d . . . . .
Ag6 Ag 0.33985(8) 0.11908(8) 0.44981(19) 0.1028(9) Uani 1 1 d . . . . .
Ag19 Ag 0.43693(15) 0.3244(2) 0.3598(5) 0.103(3) Uani 0.644(15) 1 d . . P A 1
S2 S 0.26488(18) 0.13319(17) 0.4324(3) 0.0506(13) Uani 1 1 d . . . . .
S4 S 0.24292(18) 0.32815(17) 0.1672(3) 0.0480(12) Uani 1 1 d . . . . .
S1 S 0.17963(17) 0.23756(18) 0.3352(3) 0.0506(13) Uani 1 1 d D . . . .
S3 S 0.29742(19) 0.20050(17) 0.2314(3) 0.0498(13) Uani 1 1 d . . . . .
S12 S 0.45446(18) 0.2449(2) 0.6861(3) 0.0549(14) Uani 1 1 d . . . . .
S9 S 0.2607(2) 0.48840(19) 0.5604(3) 0.0594(15) Uani 1 1 d . . . . .
S6 S 0.3686(2) 0.1321(2) 0.6088(4) 0.0644(16) Uani 1 1 d D . . . .
S7 S 0.4276(2) 0.2767(2) 0.2342(3) 0.0658(17) Uani 1 1 d . . . . .
S11 S 0.4729(2) 0.3913(3) 0.3586(4) 0.077(2) Uani 1 1 d D . . . .
S5 S 0.4041(2) 0.15677(19) 0.3877(4) 0.0637(16) Uani 1 1 d . . . . .
S10 S 0.3713(3) 0.4877(2) 0.3948(4) 0.080(2) Uani 1 1 d . . . . .
S8 S 0.3484(3) 0.3988(3) 0.2012(6) 0.102(3) Uani 1 1 d D . . . .
S13 S 0.3575(3) 0.2855(4) 0.0534(5) 0.109(4) Uani 1 1 d . . . . .
S14 S 0.500000 0.500000 0.500000 0.098(5) Uani 1 4 d S T P . .
O3 O 0.2294(3) 0.3149(4) 0.4872(7) 0.033(3) Uani 1 1 d . . . . .
O10 O 0.3997(3) 0.3145(4) 0.5139(7) 0.039(3) Uani 1 1 d . . . . .
O1 O 0.2238(4) 0.2238(4) 0.500000 0.048(5) Uani 1 2 d S T P . .
O8 O 0.3635(4) 0.3522(4) 0.3901(6) 0.041(3) Uani 1 1 d . . . . .
O17 O 0.500000 0.500000 0.2742(16) 0.088(8) Uani 1 2 d S T P . .
O2 O 0.2770(4) 0.2671(4) 0.3904(6) 0.038(3) Uani 1 1 d . . . . .
O6 O 0.4048(4) 0.2245(4) 0.5266(6) 0.042(3) Uani 1 1 d . . . . .
O13 O 0.3442(6) 0.0476(8) 0.4401(16) 0.113(8) Uani 1 1 d D . . . .
C17 C 0.3599(9) 0.0928(8) 0.6873(15) 0.101(6) Uani 1 1 d D U . . .
H17 H 0.340737 0.105546 0.725469 0.122 Uiso 1 1 d R U . . .
O5 O 0.3631(4) 0.2682(4) 0.4049(6) 0.040(3) Uani 1 1 d . . . . .
O7 O 0.3151(3) 0.3151(3) 0.500000 0.029(3) Uani 1 2 d S T P A .
O11 O 0.4061(5) 0.4061(5) 0.500000 0.070(7) Uani 1 2 d S T P A .
O4 O 0.3240(5) 0.3039(4) 0.2657(6) 0.048(4) Uani 1 1 d . . . . .
Ag7 Ag 0.42292(10) 0.10998(12) 0.5091(3) 0.1319(12) Uani 1 1 d D . . . .
O9 O 0.3523(4) 0.2781(4) 0.6229(6) 0.042(3) Uani 1 1 d . . . . .
Ag20 Ag 0.4504(3) 0.3224(2) 0.4114(6) 0.071(4) Uani 0.356(15) 1 d . . P A 2
Ag25 Ag 0.45000(18) 0.46487(17) 0.3629(3) 0.090(2) Uani 0.472(8) 1 d . . P A 1
Ag26 Ag 0.4258(2) 0.44520(18) 0.3977(4) 0.116(3) Uani 0.528(8) 1 d . . P A 2
Ag27 Ag 0.46312(17) 0.18390(15) 0.4816(6) 0.085(3) Uani 0.486(14) 1 d D . P A 1
Ag28 Ag 0.4783(3) 0.2095(6) 0.5389(7) 0.206(11) Uani 0.514(14) 1 d . . P A 2
Ag22 Ag 0.3264(4) 0.4315(4) 0.3475(6) 0.119(5) Uani 0.61(2) 1 d . . P A 1
Ag21 Ag 0.3496(5) 0.4164(2) 0.3246(4) 0.091(3) Uani 0.39(2) 1 d . . P A 2
Ag15 Ag 0.31376(14) 0.35168(15) 0.1030(2) 0.0850(15) Uani 0.569(6) 1 d . . P A 1
Ag16 Ag 0.28444(18) 0.31293(16) 0.0596(2) 0.0752(19) Uani 0.431(6) 1 d . . P A 2
Ag13 Ag 0.2779(2) 0.25563(13) 0.1356(3) 0.0694(18) Uani 0.572(12) 1 d . . P A 1
Ag14 Ag 0.2546(3) 0.25240(14) 0.1692(4) 0.063(3) Uani 0.428(12) 1 d . . P A 2
Ag12 Ag 0.51045(16) 0.4021(3) 0.4804(2) 0.151(3) Uani 0.864(15) 1 d D . P A 1
Ag24 Ag 0.2810(3) 0.47286(14) 0.4295(2) 0.108(3) Uani 0.463(7) 1 d . . P A 1
Ag23 Ag 0.3280(2) 0.4854(3) 0.4935(5) 0.180(5) Uani 0.537(7) 1 d . . P A 2
Ag17 Ag 0.3927(2) 0.3397(2) 0.2071(6) 0.068(2) Uani 0.49(2) 1 d . . P A 1
Ag18 Ag 0.3720(5) 0.3284(2) 0.1736(6) 0.095(5) Uani 0.51(2) 1 d . . P A 2
Ag29 Ag 0.40229(14) 0.3904(2) 0.2967(2) 0.144(2) Uani 0.5 1 d . . P A 3
K1 K 0.40229(14) 0.3904(2) 0.2967(2) 0.144(2) Uani 0.5 1 d . . P A 4
C26 C 0.2548(10) 0.5404(10) 0.6028(16) 0.083(8) Uani 1 1 d . U . . .
H26 H 0.279912 0.546605 0.634085 0.099 Uiso 1 1 d R U . . .
C27 C 0.2519(13) 0.5737(12) 0.534(2) 0.110(11) Uani 1 1 d . U . . .
H27A H 0.277747 0.572739 0.504480 0.165 Uiso 1 1 d R U . . .
H27B H 0.228377 0.566829 0.500700 0.165 Uiso 1 1 d R U . . .
H27C H 0.248047 0.601689 0.554490 0.165 Uiso 1 1 d R U . . .
C25 C 0.2183(10) 0.5420(11) 0.6512(19) 0.096(10) Uani 1 1 d . U . . .
H25A H 0.193478 0.535603 0.621281 0.144 Uiso 1 1 d R U . . .
H25B H 0.220758 0.522063 0.692881 0.144 Uiso 1 1 d R U . . .
H25C H 0.216068 0.570243 0.671781 0.144 Uiso 1 1 d R U . . .
C35 C 0.4950(12) 0.2315(10) 0.7527(18) 0.113(7) Uani 1 1 d D U . . .
H35 H 0.513829 0.255797 0.761316 0.136 Uiso 1 1 d R U . . .
C36 C 0.4757(11) 0.2160(12) 0.8232(17) 0.113(7) Uani 1 1 d D U . . .
H36A H 0.457772 0.237616 0.844838 0.170 Uiso 1 1 d R U . . .
H36B H 0.458992 0.191316 0.811688 0.170 Uiso 1 1 d R U . . .
H36C H 0.497492 0.208726 0.859548 0.170 Uiso 1 1 d R U . . .
C34 C 0.5249(11) 0.2029(11) 0.7150(18) 0.113(7) Uani 1 1 d D . . . .
H34A H 0.503857 0.180876 0.711459 0.170 Uiso 1 1 d R U . . .
H34B H 0.536837 0.207936 0.664839 0.170 Uiso 1 1 d R U . . .
H34C H 0.546917 0.194126 0.749839 0.170 Uiso 1 1 d R U . . .
C8 C 0.3030(10) 0.1529(8) 0.1771(13) 0.073(7) Uani 1 1 d . U . . .
H8 H 0.317693 0.132396 0.210145 0.087 Uiso 1 1 d R U . . .
C9 C 0.3276(9) 0.1559(10) 0.1098(16) 0.087(8) Uani 1 1 d D U . . .
H9A H 0.331285 0.128776 0.085284 0.131 Uiso 1 1 d R U . . .
H9B H 0.313475 0.174906 0.074794 0.131 Uiso 1 1 d R U . . .
H9C H 0.354935 0.167356 0.123164 0.131 Uiso 1 1 d R U . . .
C7 C 0.2566(9) 0.1364(11) 0.1607(19) 0.101(10) Uani 1 1 d D U . . .
H7A H 0.241941 0.155179 0.126238 0.151 Uiso 1 1 d R U . . .
H7B H 0.259721 0.109139 0.136708 0.151 Uiso 1 1 d R U . . .
H7C H 0.240671 0.133449 0.207668 0.151 Uiso 1 1 d R U . . .
C5 C 0.2467(10) 0.0826(8) 0.3960(16) 0.082(9) Uani 1 1 d . U . . .
H5 H 0.267490 0.070338 0.360339 0.098 Uiso 1 1 d R U . . .
C4 C 0.2037(10) 0.0860(13) 0.357(2) 0.124(16) Uani 1 1 d . U . . .
H4A H 0.194934 0.058348 0.339890 0.186 Uiso 1 1 d R U . . .
H4B H 0.182944 0.097358 0.391710 0.186 Uiso 1 1 d R U . . .
H4C H 0.206224 0.104498 0.312680 0.186 Uiso 1 1 d R U . . .
C6 C 0.2405(12) 0.0533(9) 0.4638(18) 0.102(11) Uani 1 1 d . U . . .
H6A H 0.219733 0.064638 0.498598 0.152 Uiso 1 1 d R U . . .
H6B H 0.231663 0.025658 0.446758 0.152 Uiso 1 1 d R U . . .
H6C H 0.267343 0.051048 0.489828 0.152 Uiso 1 1 d R U . . .
O12 O 0.1509(7) 0.1194(7) 0.5411(12) 0.106(7) Uani 1 1 d D U . . .
C2 C 0.1403(8) 0.2238(9) 0.2615(13) 0.103(7) Uani 1 1 d D U . . .
H2 H 0.140222 0.243946 0.218296 0.123 Uiso 1 1 d R U . . .
C3 C 0.1490(9) 0.1780(9) 0.2349(15) 0.103(7) Uani 1 1 d D U . . .
H3A H 0.150588 0.159409 0.278699 0.154 Uiso 1 1 d R U . . .
H3B H 0.126028 0.169309 0.202029 0.154 Uiso 1 1 d R U . . .
H3C H 0.175148 0.176779 0.206569 0.154 Uiso 1 1 d R U . . .
O14 O 0.4158(7) 0.0400(8) 0.4799(14) 0.112(8) Uani 1 1 d D U . . .
C39 C 0.374439 0.026030 0.456509 0.130(10) Uani 1 1 d . U . . .
C40 C 0.367270 -0.017120 0.448000 0.130(10) Uani 1 1 d . U . . .
H40A H 0.385840 -0.028240 0.408950 0.196 Uiso 1 1 d R U . . .
H40B H 0.372710 -0.031250 0.496130 0.196 Uiso 1 1 d R U . . .
H40C H 0.338290 -0.021770 0.433030 0.196 Uiso 1 1 d R U . . .
C1 C 0.0973(8) 0.2221(11) 0.3038(14) 0.103(7) Uani 1 1 d D . . . .
H1A H 0.098962 0.200632 0.343109 0.154 Uiso 1 1 d R U . . .
H1B H 0.091792 0.249122 0.327279 0.154 Uiso 1 1 d R U . . .
H1C H 0.074802 0.215262 0.268509 0.154 Uiso 1 1 d R U . . .
C32 C 0.5082(14) 0.4011(17) 0.2741(19) 0.193(14) Uani 1 1 d D U . . .
H32 H 0.525550 0.426285 0.284579 0.232 Uiso 1 1 d R U . . .
C31 C 0.5468(16) 0.3742(18) 0.264(3) 0.193(14) Uani 1 1 d D U . . .
H31A H 0.530897 0.349139 0.251114 0.289 Uiso 1 1 d R U . . .
H31B H 0.567287 0.379769 0.224094 0.289 Uiso 1 1 d R U . . .
H31C H 0.561197 0.369969 0.312174 0.289 Uiso 1 1 d R U . . .
C33 C 0.4867(17) 0.4070(18) 0.199(3) 0.193(14) Uani 1 1 d D U . . .
H33A H 0.506814 0.412777 0.158913 0.289 Uiso 1 1 d R U . . .
H33B H 0.470524 0.382197 0.185963 0.289 Uiso 1 1 d R U . . .
H33C H 0.467914 0.430787 0.204792 0.289 Uiso 1 1 d R U . . .
C20 C 0.4712(14) 0.2630(10) 0.1660(19) 0.124(8) Uani 1 1 d D U . . .
H20 H 0.496773 0.254068 0.193986 0.148 Uiso 1 1 d R U . . .
C19 C 0.4525(13) 0.2224(10) 0.138(2) 0.124(8) Uani 1 1 d D U . . .
H19A H 0.425096 0.229294 0.117724 0.185 Uiso 1 1 d R U . . .
H19B H 0.470276 0.211754 0.097594 0.185 Uiso 1 1 d R U . . .
H19C H 0.449516 0.201054 0.177544 0.185 Uiso 1 1 d R U . . .
C21 C 0.4782(13) 0.3006(10) 0.115(2) 0.124(8) Uani 1 1 d D U . . .
H21A H 0.497666 0.294653 0.074219 0.185 Uiso 1 1 d R U . . .
H21B H 0.452426 0.312193 0.094299 0.185 Uiso 1 1 d R U . . .
H21C H 0.490666 0.320843 0.150159 0.185 Uiso 1 1 d R U . . .
C12 C 0.1940(10) 0.3783(9) 0.0739(18) 0.099(6) Uani 1 1 d D U . . .
H12A H 0.174091 0.378664 0.031955 0.148 Uiso 1 1 d R U . . .
H12B H 0.185061 0.397924 0.113075 0.148 Uiso 1 1 d R U . . .
H12C H 0.221611 0.386214 0.055325 0.148 Uiso 1 1 d R U . . .
C11 C 0.1974(9) 0.3358(9) 0.1070(19) 0.099(6) Uani 1 1 d D U . . .
H11 H 0.205572 0.319741 0.060819 0.119 Uiso 1 1 d R U . . .
C10 C 0.1591(9) 0.3197(10) 0.1418(18) 0.099(6) Uani 1 1 d D U . . .
H10A H 0.149192 0.337873 0.182431 0.148 Uiso 1 1 d R U . . .
H10B H 0.138222 0.318603 0.101371 0.148 Uiso 1 1 d R U . . .
H10C H 0.163702 0.291633 0.161771 0.148 Uiso 1 1 d R U . . .
C30 C 0.3297(10) 0.5581(11) 0.3458(19) 0.109(6) Uani 1 1 d D U . . .
H30A H 0.334873 0.586031 0.325931 0.163 Uiso 1 1 d R U . . .
H30B H 0.308723 0.544171 0.314381 0.163 Uiso 1 1 d R U . . .
H30C H 0.319433 0.560051 0.397911 0.163 Uiso 1 1 d R U . . .
C29 C 0.3654(11) 0.5298(11) 0.3339(16) 0.109(6) Uani 1 1 d D U . . .
H29 H 0.386149 0.548843 0.358194 0.131 Uiso 1 1 d R U . . .
C28 C 0.3823(11) 0.5289(12) 0.2548(16) 0.109(6) Uani 1 1 d D U . . .
H28A H 0.360518 0.519863 0.219801 0.163 Uiso 1 1 d R U . . .
H28B H 0.391888 0.556793 0.240521 0.163 Uiso 1 1 d R U . . .
H28C H 0.405758 0.509443 0.252481 0.163 Uiso 1 1 d R U . . .
C14 C 0.4160(12) 0.1245(12) 0.295(3) 0.155(11) Uani 1 1 d D U . . .
H14 H 0.404002 0.136370 0.247539 0.186 Uiso 1 1 d R U . . .
C15 C 0.4626(11) 0.1200(15) 0.300(3) 0.155(11) Uani 1 1 d D U . . .
H15A H 0.471368 0.106897 0.347551 0.232 Uiso 1 1 d R U . . .
H15B H 0.473088 0.103647 0.257251 0.232 Uiso 1 1 d R U . . .
H15C H 0.473918 0.148257 0.297381 0.232 Uiso 1 1 d R U . . .
C13 C 0.3942(13) 0.0823(14) 0.295(3) 0.155(11) Uani 1 1 d D U . . .
H13A H 0.403680 0.065448 0.252466 0.232 Uiso 1 1 d R U . . .
H13B H 0.401930 0.068688 0.342766 0.232 Uiso 1 1 d R U . . .
H13C H 0.363850 0.085328 0.293036 0.232 Uiso 1 1 d R U . . .
O16 O 0.5184(9) 0.1503(13) 0.514(3) 0.320(6) Uani 1 1 d D U . . .
C41 C 0.507620 0.119050 0.560790 0.208(17) Uani 1 1 d D U . . .
C42 C 0.556120 0.105570 0.563351 0.208(17) Uani 1 1 d D U . . .
H42A H 0.563770 0.092370 0.515340 0.312 Uiso 1 1 d R U . . .
H42B H 0.573410 0.130290 0.571320 0.312 Uiso 1 1 d R U . . .
H42C H 0.560540 0.085900 0.604930 0.312 Uiso 1 1 d R U . . .
C24 C 0.3989(14) 0.4416(19) 0.121(3) 0.211(16) Uani 1 1 d D U . . .
H24A H 0.414196 0.443486 0.168509 0.316 Uiso 1 1 d R U . . .
H24B H 0.404266 0.414576 0.097039 0.316 Uiso 1 1 d R U . . .
H24C H 0.408146 0.463866 0.086589 0.316 Uiso 1 1 d R U . . .
C23 C 0.3535(16) 0.4446(15) 0.136(3) 0.211(16) Uani 1 1 d D U . . .
H23 H 0.354253 0.467252 0.174488 0.253 Uiso 1 1 d R U . . .
C22 C 0.3312(16) 0.4673(19) 0.074(3) 0.211(16) Uani 1 1 d D U . . .
H22A H 0.343108 0.495335 0.073478 0.316 Uiso 1 1 d R U . . .
H22B H 0.335718 0.453985 0.024958 0.316 Uiso 1 1 d R U . . .
H22C H 0.301278 0.469025 0.084288 0.316 Uiso 1 1 d R U . . .
O15 O 0.4886(8) 0.0948(13) 0.512(3) 0.320(6) Uani 1 1 d D U . . .
C37 C 0.126141 0.126141 0.500000 0.155(2) Uani 1 2 d DS TU P . .
C38 C 0.090900 0.090900 0.500000 0.155(2) Uani 1 2 d DS TU P . .
H38A H 0.103700 0.063730 0.490480 0.233 Uiso 0.5 1 d R U P B -1
H38B H 0.076930 0.090500 0.549280 0.233 Uiso 0.5 1 d R U P B -1
H38C H 0.070520 0.096910 0.460240 0.233 Uiso 0.5 1 d R U P B -1
C16 C 0.3423(10) 0.0556(10) 0.6477(18) 0.101(6) Uani 1 1 d D U . . .
H16A H 0.361693 0.042288 0.612577 0.152 Uiso 1 1 d R U . . .
H16B H 0.335603 0.036328 0.688927 0.152 Uiso 1 1 d R U . . .
H16C H 0.316623 0.062958 0.620657 0.152 Uiso 1 1 d R U . . .
C18 C 0.3966(9) 0.0850(11) 0.7344(18) 0.101(6) Uani 1 1 d D U . . .
H18A H 0.390307 0.065833 0.775965 0.152 Uiso 1 1 d R U . . .
H18B H 0.416387 0.071813 0.699605 0.152 Uiso 1 1 d R U . . .
H18C H 0.408897 0.110583 0.754835 0.152 Uiso 1 1 d R U . . .
O19 O 0.5890(6) 0.4110(6) 0.500000 0.135(6) Uani 1 2 d DS TU P . .
Ag30 Ag 0.4976(7) 0.4281(6) 0.4779(13) 0.101(9) Uani 0.136(15) 1 d . . P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nb Nb -2.0727 0.6215 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Nb1 Nb3 Nb2 60.24(4) . 7_556 ?
O3 Nb3 Nb1 33.1(3) 7_556 . ?
O3 Nb3 Nb2 82.1(3) 7_556 7_556 ?
O3 Nb3 O10 155.5(5) 7_556 . ?
O3 Nb3 O5 88.3(5) 7_556 . ?
O3 Nb3 O7 78.4(5) 7_556 . ?
O3 Nb3 O9 88.5(5) 7_556 . ?
O10 Nb3 Nb1 122.4(4) . . ?
O10 Nb3 Nb2 80.8(4) . 7_556 ?
O10 Nb3 O5 86.2(5) . . ?
O10 Nb3 O7 77.1(5) . . ?
O10 Nb3 O9 86.3(6) . . ?
O6 Nb3 Nb1 135.4(5) . . ?
O6 Nb3 Nb2 135.9(4) . 7_556 ?
O6 Nb3 O3 102.3(6) . 7_556 ?
O6 Nb3 O10 102.2(6) . . ?
O6 Nb3 O5 101.6(5) . . ?
O6 Nb3 O7 178.7(5) . . ?
O6 Nb3 O9 103.7(5) . . ?
O5 Nb3 Nb1 82.0(4) . . ?
O5 Nb3 Nb2 122.5(4) . 7_556 ?
O5 Nb3 O7 77.3(4) . . ?
O5 Nb3 O9 154.6(5) . . ?
O7 Nb3 Nb1 45.3(3) . . ?
O7 Nb3 Nb2 45.22(4) . 7_556 ?
O9 Nb3 Nb1 81.7(4) . . ?
O9 Nb3 Nb2 32.2(4) . 7_556 ?
O9 Nb3 O7 77.4(4) . . ?
Nb3 Nb1 Nb3 90.62(8) 7_556 . ?
Nb3 Nb1 Nb2 60.44(5) . . ?
Nb3 Nb1 Nb2 60.02(5) . 7_556 ?
Nb3 Nb1 Nb2 60.44(5) 7_556 7_556 ?
Nb3 Nb1 Nb2 60.02(5) 7_556 . ?
Nb2 Nb1 Nb2 90.18(7) . 7_556 ?
O3 Nb1 Nb3 32.6(3) . 7_556 ?
O3 Nb1 Nb3 123.2(3) . . ?
O3 Nb1 Nb3 32.6(3) 7_556 . ?
O3 Nb1 Nb3 123.2(3) 7_556 7_556 ?
O3 Nb1 Nb2 81.5(3) 7_556 . ?
O3 Nb1 Nb2 81.5(3) . 7_556 ?
O3 Nb1 Nb2 81.5(3) 7_556 7_556 ?
O3 Nb1 Nb2 81.5(3) . . ?
O3 Nb1 O3 155.8(6) . 7_556 ?
O3 Nb1 O7 77.9(3) . . ?
O3 Nb1 O7 77.9(3) 7_556 . ?
O1 Nb1 Nb3 134.69(4) . . ?
O1 Nb1 Nb3 134.69(4) . 7_556 ?
O1 Nb1 Nb2 134.91(4) . 7_556 ?
O1 Nb1 Nb2 134.91(4) . . ?
O1 Nb1 O3 102.1(3) . 7_556 ?
O1 Nb1 O3 102.1(3) . . ?
O1 Nb1 O2 102.0(4) . . ?
O1 Nb1 O2 102.0(4) . 7_556 ?
O1 Nb1 O7 180.0(7) . . ?
O2 Nb1 Nb3 81.3(3) 7_556 . ?
O2 Nb1 Nb3 81.3(3) . 7_556 ?
O2 Nb1 Nb3 81.9(4) 7_556 7_556 ?
O2 Nb1 Nb3 81.9(4) . . ?
O2 Nb1 Nb2 32.9(3) . . ?
O2 Nb1 Nb2 32.9(3) 7_556 7_556 ?
O2 Nb1 Nb2 123.1(4) 7_556 . ?
O2 Nb1 Nb2 123.1(4) . 7_556 ?
O2 Nb1 O3 87.5(5) 7_556 7_556 ?
O2 Nb1 O3 87.5(5) 7_556 . ?
O2 Nb1 O3 87.5(5) . . ?
O2 Nb1 O3 87.5(5) . 7_556 ?
O2 Nb1 O2 156.0(7) 7_556 . ?
O2 Nb1 O7 78.0(4) . . ?
O2 Nb1 O7 78.0(4) 7_556 . ?
O7 Nb1 Nb3 45.31(4) . . ?
O7 Nb1 Nb3 45.31(4) . 7_556 ?
O7 Nb1 Nb2 45.09(4) . 7_556 ?
O7 Nb1 Nb2 45.09(4) . . ?
Nb3 Nb2 Nb1 59.74(4) 7_556 . ?
Nb3 Nb2 K1 101.57(12) 7_556 . ?
Nb1 Nb2 K1 153.14(9) . . ?
Ag4 Nb2 Nb3 83.22(7) . 7_556 ?
Ag4 Nb2 Nb1 74.29(5) . . ?
Ag4 Nb2 K1 125.64(8) . . ?
O8 Nb2 Nb3 82.5(4) . 7_556 ?
O8 Nb2 Nb1 122.8(3) . . ?
O8 Nb2 Ag4 146.0(4) . . ?
O8 Nb2 O2 155.5(4) . . ?
O8 Nb2 O5 85.7(6) . . ?
O8 Nb2 O7 77.8(5) . . ?
O8 Nb2 K1 30.6(3) . . ?
O2 Nb2 Nb3 81.0(4) . 7_556 ?
O2 Nb2 Nb1 32.8(3) . . ?
O2 Nb2 Ag4 48.6(3) . . ?
O2 Nb2 O5 88.0(5) . . ?
O2 Nb2 O7 77.8(5) . . ?
O2 Nb2 K1 173.6(3) . . ?
O5 Nb2 Nb3 121.9(3) . 7_556 ?
O5 Nb2 Nb1 81.2(4) . . ?
O5 Nb2 Ag4 127.9(4) . . ?
O5 Nb2 O7 76.8(3) . . ?
O5 Nb2 K1 95.5(4) . . ?
O7 Nb2 Nb3 45.15(4) . 7_556 ?
O7 Nb2 Nb1 45.0(3) . . ?
O7 Nb2 Ag4 112.1(3) . . ?
O7 Nb2 K1 108.2(4) . . ?
O4 Nb2 Nb3 134.1(5) . 7_556 ?
O4 Nb2 Nb1 133.5(5) . . ?
O4 Nb2 Ag4 66.3(5) . . ?
O4 Nb2 O8 103.7(6) . . ?
O4 Nb2 O2 100.7(6) . . ?
O4 Nb2 O5 104.0(6) . . ?
O4 Nb2 O7 178.3(6) . . ?
O4 Nb2 O9 101.4(6) . 7_556 ?
O4 Nb2 K1 73.3(5) . . ?
O9 Nb2 Nb3 32.7(3) 7_556 7_556 ?
O9 Nb2 Nb1 81.6(4) 7_556 . ?
O9 Nb2 Ag4 64.0(4) 7_556 . ?
O9 Nb2 O8 88.1(6) 7_556 . ?
O9 Nb2 O2 87.6(5) 7_556 . ?
O9 Nb2 O5 154.6(4) 7_556 . ?
O9 Nb2 O7 77.8(3) 7_556 . ?
O9 Nb2 K1 91.5(4) 7_556 . ?
O10 Nb4 O10 153.0(7) . 7_556 ?
O10 Nb4 O7 76.5(3) 7_556 . ?
O10 Nb4 O7 76.5(3) . . ?
O10 Nb4 K1 97.3(4) . . ?
O10 Nb4 K1 91.9(4) . 7_556 ?
O10 Nb4 K1 97.3(4) 7_556 7_556 ?
O10 Nb4 K1 91.9(4) 7_556 . ?
O8 Nb4 O10 87.4(5) . 7_556 ?
O8 Nb4 O10 87.4(5) 7_556 . ?
O8 Nb4 O10 86.9(5) 7_556 7_556 ?
O8 Nb4 O10 86.9(5) . . ?
O8 Nb4 O8 155.0(7) . 7_556 ?
O8 Nb4 O7 77.5(4) 7_556 . ?
O8 Nb4 O7 77.5(4) . . ?
O8 Nb4 K1 171.8(4) . 7_556 ?
O8 Nb4 K1 32.7(4) 7_556 7_556 ?
O8 Nb4 K1 171.8(4) 7_556 . ?
O8 Nb4 K1 32.7(4) . . ?
O7 Nb4 K1 110.07(8) . . ?
O7 Nb4 K1 110.07(8) . 7_556 ?
O11 Nb4 O10 103.5(3) . . ?
O11 Nb4 O10 103.5(3) . 7_556 ?
O11 Nb4 O8 102.5(4) . 7_556 ?
O11 Nb4 O8 102.5(4) . . ?
O11 Nb4 O7 180.0(8) . . ?
O11 Nb4 K1 69.93(8) . 7_556 ?
O11 Nb4 K1 69.93(8) . . ?
K1 Nb4 K1 139.86(16) . 7_556 ?
Ag1 Ag1 Ag3 127.04(5) 7_556 7_556 ?
S2 Ag1 Ag1 106.89(14) . 7_556 ?
S2 Ag1 Ag3 69.82(14) . 7_556 ?
S2 Ag1 S1 121.5(2) . 7_556 ?
S1 Ag1 Ag1 108.42(16) 7_556 7_556 ?
S1 Ag1 Ag3 51.74(14) 7_556 7_556 ?
O1 Ag1 Ag1 50.6(3) . 7_556 ?
O1 Ag1 Ag3 76.6(3) . 7_556 ?
O1 Ag1 S2 87.20(18) . . ?
O1 Ag1 S1 81.07(19) . 7_556 ?
O12 Ag1 Ag1 74.7(5) . 7_556 ?
O12 Ag1 Ag3 154.2(5) . 7_556 ?
O12 Ag1 S2 121.1(6) . . ?
O12 Ag1 S1 112.3(6) . 7_556 ?
O12 Ag1 O1 124.5(6) . . ?
Ag5 Ag2 Ag4 95.90(8) . . ?
S2 Ag2 Ag4 159.63(15) . . ?
S2 Ag2 Ag5 73.58(15) . . ?
S2 Ag2 S1 135.1(2) . . ?
S2 Ag2 S3 111.1(2) . . ?
S1 Ag2 Ag4 47.17(13) . . ?
S1 Ag2 Ag5 140.33(15) . . ?
S1 Ag2 S3 113.29(18) . . ?
S3 Ag2 Ag4 74.73(14) . . ?
S3 Ag2 Ag5 55.81(14) . . ?
S12 Ag8 Ag11 53.62(16) . 7_556 ?
S12 Ag8 O6 85.1(4) . . ?
S12 Ag8 Ag28 65.2(5) . . ?
S6 Ag8 Ag11 126.1(2) . 7_556 ?
S6 Ag8 S12 177.3(2) . . ?
S6 Ag8 O6 92.4(4) . . ?
S6 Ag8 Ag28 113.6(5) . . ?
O6 Ag8 Ag11 95.5(3) . 7_556 ?
O6 Ag8 Ag28 51.5(3) . . ?
Ag28 Ag8 Ag11 112.7(4) . 7_556 ?
Ag8 Ag11 Ag4 86.82(9) 7_556 . ?
Ag8 Ag11 Ag22 95.9(4) 7_556 . ?
Ag8 Ag11 Ag21 112.5(2) 7_556 . ?
Ag8 Ag11 Ag15 160.11(11) 7_556 . ?
Ag4 Ag11 Ag15 88.46(10) . . ?
S4 Ag11 Ag8 113.24(16) . 7_556 ?
S4 Ag11 Ag4 47.84(13) . . ?
S4 Ag11 S12 152.7(2) . 7_556 ?
S4 Ag11 O9 105.7(3) . 7_556 ?
S4 Ag11 Ag22 147.5(4) . . ?
S4 Ag11 Ag21 130.5(3) . . ?
S4 Ag11 Ag15 51.30(15) . . ?
S12 Ag11 Ag8 50.62(15) 7_556 7_556 ?
S12 Ag11 Ag4 135.29(17) 7_556 . ?
S12 Ag11 O9 93.3(3) 7_556 7_556 ?
S12 Ag11 Ag22 58.8(4) 7_556 . ?
S12 Ag11 Ag21 75.1(2) 7_556 . ?
S12 Ag11 Ag15 136.18(18) 7_556 . ?
O9 Ag11 Ag8 79.1(3) 7_556 7_556 ?
O9 Ag11 Ag4 61.5(3) 7_556 . ?
O9 Ag11 Ag22 64.7(4) 7_556 . ?
O9 Ag11 Ag21 65.8(4) 7_556 . ?
O9 Ag11 Ag15 115.2(3) 7_556 . ?
Ag22 Ag11 Ag4 124.53(14) . . ?
Ag22 Ag11 Ag15 102.7(4) . . ?
Ag21 Ag11 Ag4 118.46(16) . . ?
Ag9 Ag10 Ag17 86.23(18) . . ?
Ag5 Ag10 Ag9 60.52(7) . . ?
Ag5 Ag10 Ag13 103.89(15) . . ?
Ag5 Ag10 Ag17 123.92(18) . . ?
S3 Ag10 Ag9 116.21(16) . . ?
S3 Ag10 Ag5 56.98(14) . . ?
S3 Ag10 S7 167.8(2) . . ?
S3 Ag10 O4 90.1(4) . . ?
S3 Ag10 Ag13 53.04(18) . . ?
S3 Ag10 Ag17 139.96(18) . . ?
S3 Ag10 Ag18 129.2(4) . . ?
S7 Ag10 Ag9 51.85(15) . . ?
S7 Ag10 Ag5 110.77(16) . . ?
S7 Ag10 O4 89.4(4) . . ?
S7 Ag10 Ag13 137.1(2) . . ?
S7 Ag10 Ag17 44.7(2) . . ?
S7 Ag10 Ag18 58.0(4) . . ?
O4 Ag10 Ag9 98.5(3) . . ?
O4 Ag10 Ag5 87.1(3) . . ?
O4 Ag10 Ag13 67.6(3) . . ?
O4 Ag10 Ag17 52.4(3) . . ?
O4 Ag10 Ag18 50.7(3) . . ?
Ag13 Ag10 Ag9 160.62(14) . . ?
Ag13 Ag10 Ag17 94.77(18) . . ?
Ag18 Ag10 Ag9 102.2(4) . . ?
Ag18 Ag10 Ag5 133.42(16) . . ?
Ag5 Ag9 Ag10 56.90(8) . . ?
Ag5 Ag9 Ag20 119.80(15) . . ?
Ag19 Ag9 Ag10 89.8(2) . . ?
Ag19 Ag9 Ag5 114.72(12) . . ?
S9 Ag9 Ag10 151.42(18) 7_556 . ?
S9 Ag9 Ag5 140.75(15) 7_556 . ?
S9 Ag9 Ag19 63.0(2) 7_556 . ?
S9 Ag9 Ag20 46.9(2) 7_556 . ?
S9 Ag9 Ag27 57.4(2) 7_556 . ?
S7 Ag9 Ag10 48.57(18) . . ?
S7 Ag9 Ag5 104.06(19) . . ?
S7 Ag9 Ag19 57.2(2) . . ?
S7 Ag9 S9 105.1(2) . 7_556 ?
S7 Ag9 Ag20 74.5(2) . . ?
S7 Ag9 Ag27 157.2(2) . . ?
S5 Ag9 Ag10 93.81(18) . . ?
S5 Ag9 Ag5 53.22(17) . . ?
S5 Ag9 Ag19 160.4(2) . . ?
S5 Ag9 S9 114.8(2) . 7_556 ?
S5 Ag9 S7 136.3(2) . . ?
S5 Ag9 Ag20 147.6(2) . . ?
S5 Ag9 Ag27 57.4(2) . . ?
O5 Ag9 Ag10 71.2(3) . . ?
O5 Ag9 Ag5 50.9(3) . . ?
O5 Ag9 Ag19 66.4(3) . . ?
O5 Ag9 S9 102.9(3) . 7_556 ?
O5 Ag9 S7 91.1(3) . . ?
O5 Ag9 S5 96.5(3) . . ?
O5 Ag9 Ag20 68.9(3) . . ?
O5 Ag9 Ag27 106.4(3) . . ?
Ag20 Ag9 Ag10 107.4(2) . . ?
Ag27 Ag9 Ag10 151.03(15) . . ?
Ag27 Ag9 Ag5 98.35(13) . . ?
Ag27 Ag9 Ag19 116.3(3) . . ?
Ag1 Ag3 Ag6 90.53(9) 7_556 7_556 ?
Ag4 Ag3 Ag1 102.29(9) . 7_556 ?
Ag4 Ag3 Ag6 165.28(11) . 7_556 ?
S1 Ag3 Ag1 53.90(13) . 7_556 ?
S1 Ag3 Ag4 52.39(15) . . ?
S1 Ag3 Ag6 142.14(17) . 7_556 ?
S6 Ag3 Ag1 138.54(18) 7_556 7_556 ?
S6 Ag3 Ag4 109.84(19) 7_556 . ?
S6 Ag3 Ag6 62.61(18) 7_556 7_556 ?
S6 Ag3 S1 134.7(2) 7_556 . ?
O3 Ag3 Ag1 97.5(3) . 7_556 ?
O3 Ag3 Ag4 85.9(3) . . ?
O3 Ag3 Ag6 85.3(3) . 7_556 ?
O3 Ag3 S1 109.4(3) . . ?
O3 Ag3 S6 110.1(3) . 7_556 ?
Nb2 Ag4 Ag2 85.28(7) . . ?
Ag11 Ag4 Nb2 68.29(6) . . ?
Ag11 Ag4 Ag2 153.36(9) . . ?
Ag3 Ag4 Nb2 102.18(8) . . ?
Ag3 Ag4 Ag2 88.90(7) . . ?
Ag3 Ag4 Ag11 99.52(11) . . ?
Ag3 Ag4 Ag13 165.79(15) . . ?
S4 Ag4 Nb2 96.34(14) . . ?
S4 Ag4 Ag2 137.21(19) . . ?
S4 Ag4 Ag11 47.89(14) . . ?
S4 Ag4 Ag3 131.69(18) . . ?
S4 Ag4 S1 139.68(19) . . ?
S4 Ag4 O2 131.5(3) . . ?
S4 Ag4 Ag13 53.31(16) . . ?
S4 Ag4 Ag14 59.78(19) . . ?
S1 Ag4 Nb2 122.86(13) . . ?
S1 Ag4 Ag2 48.95(15) . . ?
S1 Ag4 Ag11 151.5(2) . . ?
S1 Ag4 Ag3 53.98(15) . . ?
S1 Ag4 O2 86.4(3) . . ?
S1 Ag4 Ag13 112.8(2) . . ?
S1 Ag4 Ag14 101.2(2) . . ?
O2 Ag4 Nb2 36.6(3) . . ?
O2 Ag4 Ag2 53.9(3) . . ?
O2 Ag4 Ag11 101.8(3) . . ?
O2 Ag4 Ag3 82.7(3) . . ?
O2 Ag4 Ag13 102.8(3) . . ?
Ag13 Ag4 Nb2 89.54(12) . . ?
Ag13 Ag4 Ag2 84.04(12) . . ?
Ag13 Ag4 Ag11 92.23(12) . . ?
Ag14 Ag4 Nb2 99.20(17) . . ?
Ag14 Ag4 Ag2 77.70(14) . . ?
Ag14 Ag4 Ag11 102.55(16) . . ?
Ag14 Ag4 Ag3 153.68(19) . . ?
Ag14 Ag4 O2 106.3(3) . . ?
Ag2 Ag5 Ag10 102.14(9) . . ?
Ag2 Ag5 Ag9 161.86(11) . . ?
Ag10 Ag5 Ag9 62.58(8) . . ?
Ag6 Ag5 Ag2 92.52(10) . . ?
Ag6 Ag5 Ag10 143.05(12) . . ?
Ag6 Ag5 Ag9 105.59(10) . . ?
S3 Ag5 Ag2 56.91(14) . . ?
S3 Ag5 Ag10 49.72(14) . . ?
S3 Ag5 Ag9 111.15(17) . . ?
S3 Ag5 Ag6 119.67(15) . . ?
S5 Ag5 Ag2 145.00(18) . . ?
S5 Ag5 Ag10 97.07(18) . . ?
S5 Ag5 Ag9 51.71(16) . . ?
S5 Ag5 Ag6 56.00(16) . . ?
S5 Ag5 S3 122.1(2) . . ?
O5 Ag5 Ag2 116.7(3) . . ?
O5 Ag5 Ag10 75.0(3) . . ?
O5 Ag5 Ag9 52.2(3) . . ?
O5 Ag5 Ag6 127.6(3) . . ?
O5 Ag5 S3 112.7(3) . . ?
O5 Ag5 S5 96.3(3) . . ?
Ag5 Ag6 Ag3 85.92(9) . 7_556 ?
S2 Ag6 Ag3 68.86(15) . 7_556 ?
S2 Ag6 Ag5 74.23(15) . . ?
S2 Ag6 S5 128.9(2) . . ?
S2 Ag6 Ag7 165.2(2) . . ?
S5 Ag6 Ag3 112.24(16) . 7_556 ?
S5 Ag6 Ag5 55.52(17) . . ?
S5 Ag6 Ag7 58.13(18) . . ?
O13 Ag6 Ag3 126.2(7) . 7_556 ?
O13 Ag6 Ag5 145.5(7) . . ?
O13 Ag6 S2 103.5(5) . . ?
O13 Ag6 S5 112.3(7) . . ?
O13 Ag6 Ag7 82.5(5) . . ?
Ag7 Ag6 Ag3 96.64(13) . 7_556 ?
Ag7 Ag6 Ag5 108.58(13) . . ?
Ag9 Ag19 Ag17 94.7(2) . . ?
S7 Ag19 Ag9 52.95(16) . . ?
S7 Ag19 Ag17 47.6(3) . . ?
S11 Ag19 Ag9 157.3(3) . . ?
S11 Ag19 S7 122.9(4) . . ?
S11 Ag19 O8 97.5(4) . . ?
S11 Ag19 Ag17 94.0(4) . . ?
O8 Ag19 Ag9 105.2(3) . . ?
O8 Ag19 S7 105.3(4) . . ?
O8 Ag19 Ag17 72.9(4) . . ?
Ag2 S2 Ag1 94.6(2) . . ?
Ag6 S2 Ag1 126.3(2) . . ?
Ag6 S2 Ag2 118.7(2) . . ?
C5 S2 Ag1 104.2(11) . . ?
C5 S2 Ag2 111.5(10) . . ?
C5 S2 Ag6 101.0(11) . . ?
Ag11 S4 Ag15 82.3(2) . . ?
Ag11 S4 Ag13 134.5(2) . . ?
Ag11 S4 Ag14 134.5(2) . . ?
Ag4 S4 Ag11 84.27(17) . . ?
Ag4 S4 Ag15 131.0(2) . . ?
Ag4 S4 Ag13 78.5(2) . . ?
Ag4 S4 Ag14 60.5(3) . . ?
Ag16 S4 Ag11 122.1(3) . . ?
Ag16 S4 Ag4 131.8(3) . . ?
Ag16 S4 Ag14 73.9(3) . . ?
Ag13 S4 Ag15 78.2(3) . . ?
C11 S4 Ag11 115.8(11) . . ?
C11 S4 Ag4 114.7(9) . . ?
C11 S4 Ag15 113.6(9) . . ?
C11 S4 Ag16 90.7(10) . . ?
C11 S4 Ag13 109.6(11) . . ?
C11 S4 Ag14 105.3(10) . . ?
Ag2 S1 Ag1 92.19(18) . 7_556 ?
Ag3 S1 Ag1 74.36(17) . 7_556 ?
Ag3 S1 Ag2 123.0(2) . . ?
Ag4 S1 Ag1 138.6(2) . 7_556 ?
Ag4 S1 Ag2 83.88(19) . . ?
Ag4 S1 Ag3 73.64(19) . . ?
C2 S1 Ag1 108.0(9) . 7_556 ?
C2 S1 Ag2 118.0(9) . . ?
C2 S1 Ag3 118.9(9) . . ?
C2 S1 Ag4 110.1(10) . . ?
Ag10 S3 Ag2 131.9(2) . . ?
Ag10 S3 Ag5 73.31(17) . . ?
Ag10 S3 Ag13 77.0(2) . . ?
Ag10 S3 Ag14 94.1(3) . . ?
Ag5 S3 Ag2 67.27(14) . . ?
Ag13 S3 Ag2 115.0(3) . . ?
Ag13 S3 Ag5 136.6(2) . . ?
Ag14 S3 Ag2 93.0(3) . . ?
Ag14 S3 Ag5 132.8(3) . . ?
C8 S3 Ag2 112.1(8) . . ?
C8 S3 Ag10 108.4(10) . . ?
C8 S3 Ag5 113.8(9) . . ?
C8 S3 Ag13 105.1(8) . . ?
C8 S3 Ag14 113.3(9) . . ?
Ag8 S12 Ag11 75.76(18) . 7_556 ?
Ag8 S12 Ag28 67.1(4) . . ?
Ag8 S12 Ag22 121.3(2) . 7_556 ?
Ag8 S12 Ag24 106.5(2) . 7_556 ?
Ag11 S12 Ag28 132.8(3) 7_556 . ?
Ag11 S12 Ag22 71.2(3) 7_556 7_556 ?
Ag24 S12 Ag11 118.9(3) 7_556 7_556 ?
Ag24 S12 Ag22 55.6(4) 7_556 7_556 ?
C35 S12 Ag8 113.9(12) . . ?
C35 S12 Ag11 114.1(10) . 7_556 ?
C35 S12 Ag28 107.2(10) . . ?
C35 S12 Ag22 123.6(12) . 7_556 ?
C35 S12 Ag24 119.1(11) . 7_556 ?
Ag9 S9 Ag27 66.7(3) 7_556 7_556 ?
Ag20 S9 Ag9 78.7(4) 7_556 7_556 ?
Ag20 S9 Ag27 131.6(3) 7_556 7_556 ?
Ag20 S9 Ag28 130.3(4) 7_556 7_556 ?
Ag20 S9 Ag23 49.5(4) 7_556 . ?
Ag28 S9 Ag9 94.0(5) 7_556 7_556 ?
Ag28 S9 Ag27 30.9(4) 7_556 7_556 ?
Ag28 S9 Ag23 104.1(6) 7_556 . ?
Ag24 S9 Ag9 119.1(3) . 7_556 ?
Ag24 S9 Ag27 85.6(3) . 7_556 ?
Ag23 S9 Ag9 124.3(3) . 7_556 ?
Ag23 S9 Ag27 131.1(4) . 7_556 ?
C26 S9 Ag9 113.4(10) . 7_556 ?
C26 S9 Ag20 117.8(11) . 7_556 ?
C26 S9 Ag27 106.9(11) . 7_556 ?
C26 S9 Ag28 110.2(10) . 7_556 ?
C26 S9 Ag24 126.5(10) . . ?
C26 S9 Ag23 108.7(10) . . ?
Ag8 S6 Ag3 100.4(3) . 7_556 ?
Ag8 S6 Ag7 90.9(2) . . ?
Ag3 S6 Ag7 128.2(3) 7_556 . ?
C17 S6 Ag8 111.2(9) . . ?
C17 S6 Ag3 107.9(10) . 7_556 ?
C17 S6 Ag7 114.6(10) . . ?
Ag10 S7 Ag9 79.6(2) . . ?
Ag10 S7 Ag19 117.1(2) . . ?
Ag10 S7 Ag18 70.5(4) . . ?
Ag9 S7 Ag19 69.8(3) . . ?
Ag9 S7 Ag18 133.4(3) . . ?
Ag17 S7 Ag10 88.3(3) . . ?
Ag17 S7 Ag9 131.1(3) . . ?
Ag17 S7 Ag19 74.6(4) . . ?
C20 S7 Ag10 117.6(11) . . ?
C20 S7 Ag9 112.7(11) . . ?
C20 S7 Ag19 124.6(11) . . ?
C20 S7 Ag17 114.8(11) . . ?
C20 S7 Ag18 112.6(11) . . ?
Ag19 S11 Ag25 134.4(4) . . ?
Ag19 S11 Ag12 110.2(4) . . ?
Ag20 S11 Ag30 101.1(6) . . ?
Ag25 S11 Ag12 89.2(4) . . ?
Ag26 S11 Ag20 110.4(3) . . ?
Ag26 S11 Ag30 67.9(6) . . ?
C32 S11 Ag19 115.8(18) . . ?
C32 S11 Ag20 127.6(18) . . ?
C32 S11 Ag25 92.5(17) . . ?
C32 S11 Ag26 118.8(17) . . ?
C32 S11 Ag12 111.4(16) . . ?
C32 S11 Ag29 101.5(15) . . ?
C32 S11 K1 101.5(15) . . ?
C32 S11 Ag30 112.8(17) . . ?
Ag9 S5 Ag5 75.06(19) . . ?
Ag9 S5 Ag6 139.0(3) . . ?
Ag9 S5 Ag7 129.7(3) . . ?
Ag9 S5 Ag27 68.5(2) . . ?
Ag5 S5 Ag6 68.48(19) . . ?
Ag5 S5 Ag7 126.6(3) . . ?
Ag5 S5 Ag27 121.9(3) . . ?
Ag6 S5 Ag7 65.59(18) . . ?
Ag6 S5 Ag27 116.7(3) . . ?
Ag27 S5 Ag7 61.7(2) . . ?
C14 S5 Ag9 103.6(13) . . ?
C14 S5 Ag5 107.9(13) . . ?
C14 S5 Ag6 104.8(12) . . ?
C14 S5 Ag7 108.9(13) . . ?
C14 S5 Ag27 123.3(12) . . ?
Ag25 S10 Ag30 66.6(5) . 7_556 ?
Ag26 S10 Ag21 72.1(4) . . ?
Ag26 S10 Ag12 81.3(4) . 7_556 ?
Ag26 S10 Ag23 117.0(3) . . ?
Ag26 S10 Ag30 63.6(6) . 7_556 ?
Ag22 S10 Ag25 106.3(5) . . ?
Ag22 S10 Ag12 137.8(4) . 7_556 ?
Ag22 S10 Ag30 135.3(5) . 7_556 ?
Ag21 S10 Ag30 127.6(6) . 7_556 ?
Ag12 S10 Ag25 83.9(4) 7_556 . ?
Ag12 S10 Ag30 18.0(4) 7_556 7_556 ?
Ag23 S10 Ag21 99.8(5) . . ?
Ag23 S10 Ag12 64.7(4) . 7_556 ?
Ag23 S10 Ag30 78.0(5) . 7_556 ?
C29 S10 Ag25 100.6(11) . . ?
C29 S10 Ag26 125.3(11) . . ?
C29 S10 Ag22 107.3(14) . . ?
C29 S10 Ag21 110.4(13) . . ?
C29 S10 Ag12 110.9(14) . 7_556 ?
C29 S10 Ag23 116.2(10) . . ?
C29 S10 K1 113.3(11) . . ?
C29 S10 Ag30 117.4(15) . 7_556 ?
Ag21 S8 Ag18 114.9(5) . . ?
Ag15 S8 Ag22 135.9(5) . . ?
Ag17 S8 Ag22 113.6(5) . . ?
Ag17 S8 Ag15 79.5(4) . . ?
C23 S8 Ag22 107(2) . . ?
C23 S8 Ag21 113(2) . . ?
C23 S8 Ag15 95(2) . . ?
C23 S8 Ag17 126.9(18) . . ?
C23 S8 Ag18 125(2) . . ?
C23 S8 Ag29 116.7(19) . . ?
C23 S8 K1 116.7(19) . . ?
Ag15 S13 Ag15 91.7(3) . 7 ?
Ag16 S13 Ag15 82.6(3) . 7 ?
Ag16 S13 Ag15 36.6(2) 7 7 ?
Ag16 S13 Ag16 59.6(3) 7 . ?
Ag16 S13 Ag18 141.5(5) 7 . ?
Ag16 S13 Ag18 86.9(4) . . ?
Ag18 S13 Ag15 128.8(5) . 7 ?
Ag30 S14 Ag30 95.3(11) . 8_666 ?
Ag30 S14 Ag30 87.8(13) . 7_556 ?
Ag30 S14 Ag30 160.9(11) 8_666 7_556 ?
Ag30 S14 Ag30 160.9(11) . 2_665 ?
Ag30 S14 Ag30 87.8(13) 8_666 2_665 ?
Ag30 S14 Ag30 95.3(11) 2_665 7_556 ?
Nb3 O3 Nb1 114.3(5) 7_556 . ?
Nb3 O3 Ag3 123.8(5) 7_556 . ?
Nb1 O3 Ag3 111.5(5) . . ?
Nb3 O10 Nb4 115.8(6) . . ?
Nb3 O10 Ag20 117.5(6) . . ?
Nb4 O10 Ag20 99.5(5) . . ?
Nb1 O1 Ag1 140.6(3) . . ?
Nb1 O1 Ag1 140.6(3) . 7_556 ?
Ag1 O1 Ag1 78.7(5) . 7_556 ?
Nb2 O8 Nb4 114.6(6) . . ?
Nb2 O8 Ag19 109.9(6) . . ?
Nb2 O8 Ag21 111.7(7) . . ?
Nb2 O8 Ag29 124.5(6) . . ?
Nb2 O8 K1 124.5(6) . . ?
Nb4 O8 Ag19 103.2(6) . . ?
Nb4 O8 Ag21 105.6(6) . . ?
Nb4 O8 Ag29 120.5(6) . . ?
Nb4 O8 K1 120.5(6) . . ?
Ag25 O17 Ag25 102.8(11) . 2_665 ?
Nb1 O2 Nb2 114.3(5) . . ?
Nb1 O2 Ag4 127.2(6) . . ?
Nb2 O2 Ag4 94.9(5) . . ?
Nb3 O6 Ag8 119.4(6) . . ?
Nb3 O6 Ag27 153.0(7) . . ?
Nb3 O6 Ag28 146.8(9) . . ?
Ag27 O6 Ag8 87.5(4) . . ?
Ag28 O6 Ag8 74.7(3) . . ?
C39 O13 Ag6 126.4(14) . . ?
S6 C17 H17 108.2 . . ?
C16 C17 S6 104(2) . . ?
C16 C17 H17 114.1 . . ?
C18 C17 S6 114(2) . . ?
C18 C17 H17 100.6 . . ?
C18 C17 C16 116(2) . . ?
Nb3 O5 Nb2 115.5(6) . . ?
Nb3 O5 Ag9 105.5(5) . . ?
Nb3 O5 Ag5 102.5(5) . . ?
Nb2 O5 Ag9 137.2(5) . . ?
Nb2 O5 Ag5 104.4(6) . . ?
Ag5 O5 Ag9 76.9(4) . . ?
Nb3 O7 Nb3 178.8(7) 7_556 . ?
Nb3 O7 Nb2 89.63(5) . 7_556 ?
Nb3 O7 Nb2 89.63(5) 7_556 . ?
Nb3 O7 Nb2 90.37(5) . . ?
Nb3 O7 Nb2 90.37(5) 7_556 7_556 ?
Nb3 O7 Nb4 90.6(3) . . ?
Nb3 O7 Nb4 90.6(3) 7_556 . ?
Nb1 O7 Nb3 89.4(3) . . ?
Nb1 O7 Nb3 89.4(3) . 7_556 ?
Nb1 O7 Nb2 89.9(3) . 7_556 ?
Nb1 O7 Nb2 89.9(3) . . ?
Nb1 O7 Nb4 180.00(8) . . ?
Nb2 O7 Nb2 179.8(9) 7_556 . ?
Nb4 O7 Nb2 90.1(3) . . ?
Nb4 O7 Nb2 90.1(3) . 7_556 ?
Nb4 O11 Ag26 125.6(5) . 7_556 ?
Nb4 O11 Ag26 125.6(5) . . ?
Ag26 O11 Ag26 108.7(10) 7_556 . ?
Nb2 O4 Ag10 115.5(6) . . ?
Nb2 O4 Ag18 133.2(9) . . ?
Ag18 O4 Ag10 74.7(4) . . ?
S6 Ag7 Ag6 65.99(17) . . ?
S6 Ag7 S5 103.8(2) . . ?
S6 Ag7 Ag27 101.6(2) . . ?
S5 Ag7 Ag6 56.28(18) . . ?
S5 Ag7 Ag27 58.7(3) . . ?
Ag27 Ag7 Ag6 106.5(2) . . ?
O14 Ag7 Ag6 85.8(5) . . ?
O14 Ag7 S6 110.6(6) . . ?
O14 Ag7 S5 110.0(6) . . ?
O14 Ag7 Ag27 147.7(6) . . ?
O15 Ag7 Ag6 159.2(11) . . ?
O15 Ag7 S6 134.7(13) . . ?
O15 Ag7 S5 111.5(17) . . ?
O15 Ag7 Ag27 75.0(13) . . ?
O15 Ag7 O14 83.3(10) . . ?
Nb3 O9 Ag11 131.5(6) . 7_556 ?
Nb2 O9 Nb3 115.1(5) 7_556 . ?
Nb2 O9 Ag11 112.8(5) 7_556 7_556 ?
S9 Ag20 Ag9 54.4(3) 7_556 . ?
S9 Ag20 S11 131.6(4) 7_556 . ?
S9 Ag20 O10 95.8(4) 7_556 . ?
S11 Ag20 Ag9 139.4(5) . . ?
O10 Ag20 Ag9 89.4(4) . . ?
O10 Ag20 S11 123.9(5) . . ?
Ag23 Ag20 Ag9 118.2(3) 7_556 . ?
Ag23 Ag20 S9 67.5(3) 7_556 7_556 ?
Ag23 Ag20 S11 93.9(6) 7_556 . ?
Ag23 Ag20 O10 76.4(5) 7_556 . ?
S11 Ag25 S10 123.0(3) . . ?
S11 Ag25 O17 102.7(3) . . ?
O17 Ag25 S10 127.5(3) . . ?
S11 Ag26 Ag21 100.0(4) . . ?
S11 Ag26 Ag30 130.5(6) . 7_556 ?
S11 Ag26 Ag30 58.5(6) . . ?
S10 Ag26 S11 159.0(5) . . ?
S10 Ag26 O11 97.9(3) . . ?
S10 Ag26 Ag21 61.6(3) . . ?
S10 Ag26 Ag30 70.5(5) . 7_556 ?
S10 Ag26 Ag30 142.4(6) . . ?
O11 Ag26 S11 90.3(2) . . ?
O11 Ag26 Ag21 86.8(5) . . ?
O11 Ag26 Ag30 73.5(7) . . ?
O11 Ag26 Ag30 73.4(5) . 7_556 ?
Ag30 Ag26 Ag21 124.5(5) 7_556 . ?
Ag30 Ag26 Ag21 149.8(5) . . ?
Ag30 Ag26 Ag30 72.0(8) . 7_556 ?
S9 Ag27 Ag9 55.87(19) 7_556 . ?
S9 Ag27 Ag7 168.4(4) 7_556 . ?
S5 Ag27 Ag9 54.1(2) . . ?
S5 Ag27 S9 110.0(4) . 7_556 ?
S5 Ag27 Ag7 59.5(2) . . ?
O6 Ag27 Ag9 71.1(3) . . ?
O6 Ag27 S9 80.2(4) . 7_556 ?
O6 Ag27 S5 80.2(4) . . ?
O6 Ag27 Ag7 92.5(4) . . ?
Ag7 Ag27 Ag9 113.3(3) . . ?
O16 Ag27 Ag9 141.2(12) . . ?
O16 Ag27 S9 106.4(9) . 7_556 ?
O16 Ag27 S5 126.0(16) . . ?
O16 Ag27 O6 145.2(17) . . ?
O16 Ag27 Ag7 84.7(9) . . ?
S12 Ag28 Ag8 47.65(18) . . ?
S9 Ag28 Ag8 137.1(3) 7_556 . ?
S9 Ag28 S12 114.3(8) 7_556 . ?
O6 Ag28 Ag8 53.7(3) . . ?
O6 Ag28 S12 75.4(4) . . ?
O6 Ag28 S9 86.0(4) . 7_556 ?
O16 Ag28 Ag8 108.8(9) . . ?
O16 Ag28 S12 128.6(13) . . ?
O16 Ag28 S9 110.0(10) . 7_556 ?
O16 Ag28 O6 133.0(15) . . ?
S12 Ag22 Ag11 49.99(16) 7_556 . ?
S12 Ag22 S8 97.8(3) 7_556 . ?
S10 Ag22 Ag11 160.4(4) . . ?
S10 Ag22 S12 115.5(6) . 7_556 ?
S10 Ag22 S8 115.4(5) . . ?
S8 Ag22 Ag11 61.1(3) . . ?
Ag24 Ag22 Ag11 99.3(4) . . ?
Ag24 Ag22 S12 54.7(4) . 7_556 ?
Ag24 Ag22 S10 75.5(5) . . ?
Ag24 Ag22 S8 151.2(4) . . ?
S10 Ag21 Ag11 130.8(6) . . ?
S10 Ag21 Ag26 46.4(3) . . ?
S8 Ag21 Ag11 62.9(4) . . ?
S8 Ag21 S10 131.6(4) . . ?
S8 Ag21 O8 104.7(5) . . ?
S8 Ag21 Ag26 121.5(7) . . ?
O8 Ag21 Ag11 95.1(5) . . ?
O8 Ag21 S10 117.3(5) . . ?
O8 Ag21 Ag26 84.5(5) . . ?
Ag26 Ag21 Ag11 175.5(4) . . ?
S4 Ag15 Ag11 46.42(14) . . ?
S4 Ag15 S13 99.0(3) . 7 ?
S4 Ag15 S13 111.2(3) . . ?
S4 Ag15 Ag13 50.81(18) . . ?
S4 Ag15 Ag17 113.96(18) . . ?
S8 Ag15 Ag11 59.7(3) . . ?
S8 Ag15 S4 104.6(3) . . ?
S8 Ag15 S13 117.4(3) . . ?
S8 Ag15 S13 137.8(3) . 7 ?
S8 Ag15 Ag13 125.4(3) . . ?
S8 Ag15 Ag17 47.7(3) . . ?
S13 Ag15 Ag11 124.7(2) 7 . ?
S13 Ag15 Ag11 141.6(3) . . ?
S13 Ag15 S13 84.6(3) . 7 ?
S13 Ag15 Ag13 96.6(2) 7 . ?
S13 Ag15 Ag13 60.5(3) . . ?
S13 Ag15 Ag17 71.0(2) . . ?
S13 Ag15 Ag17 144.1(3) 7 . ?
Ag13 Ag15 Ag11 89.19(14) . . ?
Ag17 Ag15 Ag11 89.66(18) . . ?
Ag17 Ag15 Ag13 93.67(18) . . ?
S4 Ag16 S13 122.6(3) . 7 ?
S4 Ag16 S13 129.3(3) . . ?
S4 Ag16 Ag16 165.2(2) . 7 ?
S4 Ag16 Ag14 54.5(2) . . ?
S13 Ag16 S13 99.0(5) 7 . ?
S13 Ag16 Ag16 61.3(3) 7 7 ?
S13 Ag16 Ag14 95.9(4) . . ?
S13 Ag16 Ag14 159.4(4) 7 . ?
Ag16 Ag16 S13 59.1(3) 7 . ?
Ag16 Ag16 Ag14 116.2(2) 7 . ?
Ag10 Ag13 Ag4 94.73(12) . . ?
Ag10 Ag13 Ag15 86.03(18) . . ?
Ag4 Ag13 Ag15 90.04(13) . . ?
S4 Ag13 Ag10 114.02(19) . . ?
S4 Ag13 Ag4 48.20(14) . . ?
S4 Ag13 Ag15 50.96(17) . . ?
S3 Ag13 Ag10 49.91(16) . . ?
S3 Ag13 Ag4 78.9(2) . . ?
S3 Ag13 S4 125.5(3) . . ?
S3 Ag13 Ag15 132.6(2) . . ?
Ag4 Ag14 Ag16 109.7(2) . . ?
S4 Ag14 Ag4 59.7(2) . . ?
S4 Ag14 Ag16 51.66(19) . . ?
S3 Ag14 Ag4 98.0(3) . . ?
S3 Ag14 S4 140.6(3) . . ?
S3 Ag14 Ag16 125.1(4) . . ?
S11 Ag12 S10 124.0(3) . 7_556 ?
S11 Ag12 O19 127.6(3) . . ?
S10 Ag12 O19 102.2(3) 7_556 . ?
S12 Ag24 S9 135.8(4) 7_556 . ?
S12 Ag24 Ag22 69.8(2) 7_556 . ?
Ag22 Ag24 S9 145.7(3) . . ?
S9 Ag23 Ag30 141.4(6) . 7_556 ?
S10 Ag23 S9 156.8(5) . . ?
S10 Ag23 Ag30 60.3(5) . 7_556 ?
Ag20 Ag23 S9 63.1(3) 7_556 . ?
Ag20 Ag23 S10 136.1(4) 7_556 . ?
Ag20 Ag23 Ag30 91.5(5) 7_556 7_556 ?
Ag19 Ag17 Ag10 86.30(17) . . ?
Ag19 Ag17 Ag15 153.9(2) . . ?
S7 Ag17 Ag10 47.0(2) . . ?
S7 Ag17 Ag19 57.9(2) . . ?
S7 Ag17 S8 167.9(4) . . ?
S7 Ag17 Ag15 127.1(5) . . ?
S8 Ag17 Ag10 125.4(4) . . ?
S8 Ag17 Ag19 116.2(5) . . ?
S8 Ag17 Ag15 52.8(3) . . ?
Ag15 Ag17 Ag10 84.7(3) . . ?
S7 Ag18 Ag10 51.43(19) . . ?
S8 Ag18 Ag10 142.7(4) . . ?
S8 Ag18 S7 135.1(8) . . ?
S8 Ag18 S13 127.3(7) . . ?
S13 Ag18 Ag10 71.8(4) . . ?
S13 Ag18 S7 96.8(3) . . ?
O4 Ag18 Ag10 54.6(4) . . ?
O4 Ag18 S7 87.3(4) . . ?
O4 Ag18 S8 88.2(5) . . ?
O4 Ag18 S13 105.6(7) . . ?
S8 Ag29 S11 160.3(4) . . ?
O8 Ag29 S11 100.1(4) . . ?
O8 Ag29 S8 99.4(4) . . ?
Nb2 K1 H33B 130.3 . . ?
Nb2 K1 H33C 160.9 . . ?
Nb2 K1 H24A 137.8 . . ?
Nb4 K1 Nb2 51.57(6) . . ?
Nb4 K1 H33B 145.2 . . ?
Nb4 K1 H33C 143.7 . . ?
Nb4 K1 H24A 153.6 . . ?
S11 K1 Nb2 118.3(2) . . ?
S11 K1 Nb4 81.88(18) . . ?
S11 K1 S10 91.7(3) . . ?
S11 K1 H33B 67.6 . . ?
S11 K1 H33C 65.9 . . ?
S11 K1 H24A 102.5 . . ?
S10 K1 Nb2 103.77(19) . . ?
S10 K1 Nb4 69.28(16) . . ?
S10 K1 H33B 125.8 . . ?
S10 K1 H33C 94.5 . . ?
S10 K1 H24A 84.5 . . ?
S8 K1 Nb2 79.4(3) . . ?
S8 K1 Nb4 117.5(3) . . ?
S8 K1 S11 160.3(4) . . ?
S8 K1 S10 92.3(3) . . ?
S8 K1 H33B 94.6 . . ?
S8 K1 H33C 94.5 . . ?
S8 K1 H24A 58.7 . . ?
O8 K1 Nb2 24.9(3) . . ?
O8 K1 Nb4 26.8(3) . . ?
O8 K1 S11 100.1(4) . . ?
O8 K1 S10 88.3(4) . . ?
O8 K1 S8 99.4(4) . . ?
O8 K1 H33B 142.6 . . ?
O8 K1 H33C 165.7 . . ?
O8 K1 H24A 156.5 . . ?
H33B K1 H33C 31.4 . . ?
H33B K1 H24A 55.2 . . ?
H33C K1 H24A 37.8 . . ?
S9 C26 H26 108.8 . . ?
C27 C26 S9 107(2) . . ?
C27 C26 H26 109.3 . . ?
C25 C26 S9 111(2) . . ?
C25 C26 H26 108.6 . . ?
C25 C26 C27 112(3) . . ?
C26 C27 H27A 109.1 . . ?
C26 C27 H27B 110.0 . . ?
C26 C27 H27C 109.3 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C25 H25A 109.4 . . ?
C26 C25 H25B 110.8 . . ?
C26 C25 H25C 108.2 . . ?
H25A C25 H25B 109.3 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
S12 C35 H35 110.6 . . ?
C36 C35 S12 109(3) . . ?
C36 C35 H35 112.9 . . ?
C36 C35 C34 116(2) . . ?
C34 C35 S12 109(3) . . ?
C34 C35 H35 99.2 . . ?
C35 C36 H36A 109.7 . . ?
C35 C36 H36B 109.2 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C34 H34A 91.7 . . ?
C35 C34 H34B 123.7 . . ?
C35 C34 H34C 111.3 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.4 . . ?
H34B C34 H34C 109.4 . . ?
S3 C8 H8 107.1 . . ?
C9 C8 S3 116(2) . . ?
C9 C8 H8 105.5 . . ?
C9 C8 C7 113(2) . . ?
C7 C8 S3 106(2) . . ?
C7 C8 H8 109.0 . . ?
C8 C9 H9A 111.9 . . ?
C8 C9 H9B 107.9 . . ?
C8 C9 H9C 108.7 . . ?
H9A C9 H9B 109.3 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C7 H7A 110.7 . . ?
C8 C7 H7B 106.2 . . ?
C8 C7 H7C 111.3 . . ?
H7A C7 H7B 109.4 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.6 . . ?
S2 C5 H5 110.8 . . ?
C4 C5 S2 112(2) . . ?
C4 C5 H5 110.0 . . ?
C6 C5 S2 108.0(17) . . ?
C6 C5 H5 109.6 . . ?
C6 C5 C4 106(3) . . ?
C5 C4 H4A 109.1 . . ?
C5 C4 H4B 110.5 . . ?
C5 C4 H4C 108.9 . . ?
H4A C4 H4B 109.4 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.4 . . ?
C5 C6 H6A 110.4 . . ?
C5 C6 H6B 110.7 . . ?
C5 C6 H6C 107.3 . . ?
H6A C6 H6B 109.4 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C37 O12 Ag1 121.5(16) . . ?
S1 C2 H2 112.4 . . ?
C3 C2 S1 108.0(17) . . ?
C3 C2 H2 112.2 . . ?
C3 C2 C1 105.3(19) . . ?
C1 C2 S1 105.7(16) . . ?
C1 C2 H2 112.6 . . ?
C2 C3 H3A 110.2 . . ?
C2 C3 H3B 108.2 . . ?
C2 C3 H3C 110.1 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.4 . . ?
C39 O14 Ag7 116.7(13) . . ?
O13 C39 O14 127.7(14) . . ?
O13 C39 C40 113.6(11) . . ?
C40 C39 O14 118.6(10) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C2 C1 H1A 108.4 . . ?
C2 C1 H1B 109.2 . . ?
C2 C1 H1C 110.8 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.4 . . ?
S11 C32 H32 108.8 . . ?
C31 C32 S11 119(4) . . ?
C31 C32 H32 91.6 . . ?
C33 C32 S11 116(3) . . ?
C33 C32 H32 108.5 . . ?
C33 C32 C31 110(2) . . ?
C32 C31 H31A 94.0 . . ?
C32 C31 H31B 122.0 . . ?
C32 C31 H31C 111.1 . . ?
H31A C31 H31B 109.6 . . ?
H31A C31 H31C 109.4 . . ?
H31B C31 H31C 109.4 . . ?
C32 C33 H33A 111.0 . . ?
C32 C33 H33B 110.5 . . ?
C32 C33 H33C 106.9 . . ?
H33A C33 H33B 109.4 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
S7 C20 H20 110.9 . . ?
C19 C20 S7 96(3) . . ?
C19 C20 H20 103.7 . . ?
C19 C20 C21 124(3) . . ?
C21 C20 S7 107(3) . . ?
C21 C20 H20 113.5 . . ?
C20 C19 H19A 106.3 . . ?
C20 C19 H19B 107.8 . . ?
C20 C19 H19C 114.4 . . ?
H19A C19 H19B 109.4 . . ?
H19A C19 H19C 109.4 . . ?
H19B C19 H19C 109.4 . . ?
C20 C21 H21A 112.0 . . ?
C20 C21 H21B 113.6 . . ?
C20 C21 H21C 102.7 . . ?
H21A C21 H21B 109.3 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.6 . . ?
H12B C12 H12C 109.5 . . ?
C11 C12 H12A 110.9 . . ?
C11 C12 H12B 109.6 . . ?
C11 C12 H12C 107.7 . . ?
S4 C11 H11 101.2 . . ?
C12 C11 S4 114(2) . . ?
C12 C11 H11 99.9 . . ?
C10 C11 S4 112(2) . . ?
C10 C11 C12 115(2) . . ?
C10 C11 H11 112.4 . . ?
C11 C10 H10A 111.6 . . ?
C11 C10 H10B 106.3 . . ?
C11 C10 H10C 110.5 . . ?
H10A C10 H10B 109.4 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
H30A C30 H30B 109.4 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.3 . . ?
C29 C30 H30A 112.3 . . ?
C29 C30 H30B 100.0 . . ?
C29 C30 H30C 115.7 . . ?
S10 C29 H29 98.0 . . ?
C30 C29 S10 118(2) . . ?
C30 C29 H29 94.6 . . ?
C30 C29 C28 115(2) . . ?
C28 C29 S10 121(2) . . ?
C28 C29 H29 99.8 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.6 . . ?
C29 C28 H28C 109.2 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
S5 C14 H14 114.8 . . ?
C15 C14 S5 101(3) . . ?
C15 C14 H14 118.0 . . ?
C15 C14 C13 112(2) . . ?
C13 C14 S5 112(4) . . ?
C13 C14 H14 99.5 . . ?
C14 C15 H15A 112.1 . . ?
C14 C15 H15B 110.2 . . ?
C14 C15 H15C 106.0 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.4 . . ?
C14 C13 H13A 110.2 . . ?
C14 C13 H13B 106.4 . . ?
C14 C13 H13C 111.7 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.4 . . ?
C41 O16 Ag27 108.9(17) . . ?
C41 O16 Ag28 110(3) . . ?
O16 C41 C42 88.2(12) . . ?
O15 C41 O16 99.5(19) . . ?
O15 C41 C42 108.0(12) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.4 . . ?
H24B C24 H24C 109.4 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 107.9 . . ?
C23 C24 H24C 111.2 . . ?
S8 C23 H23 98.7 . . ?
C24 C23 S8 98(3) . . ?
C24 C23 H23 98.4 . . ?
C24 C23 C22 112(2) . . ?
C22 C23 S8 142(5) . . ?
C22 C23 H23 98.8 . . ?
C23 C22 H22A 105.7 . . ?
C23 C22 H22B 111.2 . . ?
C23 C22 H22C 111.4 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.4 . . ?
C41 O15 Ag7 109.8(17) . . ?
O12 C37 O12 136(3) 7_556 . ?
O12 C37 C38 111.9(13) . . ?
O12 C37 C38 111.9(13) 7_556 . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C17 C16 H16A 113.9 . . ?
C17 C16 H16B 104.0 . . ?
C17 C16 H16C 110.7 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.3 . . ?
H16B C16 H16C 109.3 . . ?
C17 C18 H18A 111.5 . . ?
C17 C18 H18B 103.9 . . ?
C17 C18 H18C 112.8 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.4 . . ?
Ag12 O19 Ag12 103.8(10) 8_666 . ?
S11 Ag30 S10 108.3(7) . 7_556 ?
S11 Ag30 Ag26 53.6(4) . . ?
S11 Ag30 Ag26 117.1(8) . 7_556 ?
S11 Ag30 Ag23 68.6(5) . 7_556 ?
S11 Ag30 Ag30 107.7(8) . 7_556 ?
S10 Ag30 Ag23 41.7(4) 7_556 7_556 ?
S10 Ag30 Ag30 99.8(10) 7_556 7_556 ?
S14 Ag30 S11 127.3(8) . . ?
S14 Ag30 S10 119.5(9) . 7_556 ?
S14 Ag30 Ag26 85.1(8) . 7_556 ?
S14 Ag30 Ag26 85.2(7) . . ?
S14 Ag30 Ag23 160.9(11) . 7_556 ?
S14 Ag30 Ag30 46.1(6) . 7_556 ?
Ag26 Ag30 S10 115.4(9) . 7_556 ?
Ag26 Ag30 S10 45.9(4) 7_556 7_556 ?
Ag26 Ag30 Ag26 84.6(7) . 7_556 ?
Ag26 Ag30 Ag23 100.0(6) . 7_556 ?
Ag26 Ag30 Ag23 77.2(6) 7_556 7_556 ?
Ag26 Ag30 Ag30 53.9(6) 7_556 7_556 ?
Ag26 Ag30 Ag30 54.1(5) . 7_556 ?
Ag30 Ag30 Ag23 123.7(7) 7_556 7_556 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Nb3 Nb1 3.340(2) . ?
Nb3 Nb2 3.349(2) 7_556 ?
Nb3 O3 1.974(11) 7_556 ?
Nb3 O10 1.979(12) . ?
Nb3 O6 1.751(12) . ?
Nb3 O5 1.981(11) . ?
Nb3 O7 2.3746(16) . ?
Nb3 O9 1.998(11) . ?
Nb1 Nb2 3.357(2) . ?
Nb1 Nb2 3.357(2) 7_556 ?
Nb1 O3 2.002(11) . ?
Nb1 O3 2.002(11) 7_556 ?
Nb1 O1 1.781(18) . ?
Nb1 O2 1.993(12) . ?
Nb1 O2 1.993(12) 7_556 ?
Nb1 O7 2.374(14) . ?
Nb2 Ag4 3.347(3) . ?
Nb2 O8 1.992(13) . ?
Nb2 O2 2.002(13) . ?
Nb2 O5 2.004(12) . ?
Nb2 O7 2.3773(14) . ?
Nb2 O4 1.789(11) . ?
Nb2 O9 1.970(13) 7_556 ?
Nb2 K1 3.897(4) . ?
Nb4 O10 2.008(13) . ?
Nb4 O10 2.008(13) 7_556 ?
Nb4 O8 2.007(12) 7_556 ?
Nb4 O8 2.007(12) . ?
Nb4 O7 2.377(14) . ?
Nb4 O11 1.76(2) . ?
Nb4 K1 3.836(4) . ?
Nb4 K1 3.836(4) 7_556 ?
Ag1 Ag1 3.088(4) 7_556 ?
Ag1 Ag3 3.092(3) 7_556 ?
Ag1 S2 2.515(6) . ?
Ag1 S1 2.594(6) 7_556 ?
Ag1 O1 2.435(14) . ?
Ag1 O12 2.26(2) . ?
Ag2 Ag4 3.348(3) . ?
Ag2 Ag5 2.968(3) . ?
Ag2 S2 2.504(6) . ?
Ag2 S1 2.539(6) . ?
Ag2 S3 2.696(6) . ?
Ag8 Ag11 3.002(3) 7_556 ?
Ag8 S12 2.394(6) . ?
Ag8 S6 2.365(7) . ?
Ag8 O6 2.494(11) . ?
Ag8 Ag28 2.985(6) . ?
Ag11 Ag4 3.305(3) . ?
Ag11 S4 2.464(6) . ?
Ag11 S12 2.494(6) 7_556 ?
Ag11 O9 2.499(10) 7_556 ?
Ag11 Ag22 3.082(6) . ?
Ag11 Ag21 3.302(15) . ?
Ag11 Ag15 3.371(5) . ?
Ag10 Ag9 3.222(3) . ?
Ag10 Ag5 3.041(4) . ?
Ag10 S3 2.422(6) . ?
Ag10 S7 2.457(8) . ?
Ag10 O4 2.503(14) . ?
Ag10 Ag13 3.085(5) . ?
Ag10 Ag17 3.359(9) . ?
Ag10 Ag18 2.962(6) . ?
Ag9 Ag5 3.160(4) . ?
Ag9 Ag19 3.029(7) . ?
Ag9 S9 2.656(7) 7_556 ?
Ag9 S7 2.576(6) . ?
Ag9 S5 2.567(7) . ?
Ag9 O5 2.563(13) . ?
Ag9 Ag20 3.202(11) . ?
Ag9 Ag27 2.947(9) . ?
Ag3 Ag4 2.991(4) . ?
Ag3 Ag6 3.172(4) 7_556 ?
Ag3 S1 2.521(6) . ?
Ag3 S6 2.453(7) 7_556 ?
Ag3 O3 2.373(11) . ?
Ag4 S4 2.462(5) . ?
Ag4 S1 2.469(6) . ?
Ag4 O2 2.518(12) . ?
Ag4 Ag13 3.237(7) . ?
Ag4 Ag14 2.483(10) . ?
Ag5 Ag6 2.956(4) . ?
Ag5 S3 2.662(6) . ?
Ag5 S5 2.620(7) . ?
Ag5 O5 2.517(14) . ?
Ag6 S2 2.472(6) . ?
Ag6 S5 2.634(7) . ?
Ag6 O13 2.31(3) . ?
Ag6 Ag7 2.884(4) . ?
Ag19 S7 2.714(9) . ?
Ag19 S11 2.442(10) . ?
Ag19 O8 2.581(14) . ?
Ag19 Ag17 3.089(14) . ?
S2 C5 1.84(2) . ?
S4 Ag15 2.655(7) . ?
S4 Ag16 2.375(7) . ?
S4 Ag13 2.649(7) . ?
S4 Ag14 2.465(7) . ?
S4 C11 1.83(3) . ?
S1 C2 1.868(19) . ?
S3 Ag13 2.530(7) . ?
S3 Ag14 2.426(7) . ?
S3 C8 1.82(3) . ?
S12 Ag28 2.941(17) . ?
S12 Ag22 2.786(14) 7_556 ?
S12 Ag24 2.423(7) 7_556 ?
S12 C35 1.81(4) . ?
S9 Ag20 2.383(9) 7_556 ?
S9 Ag27 2.703(9) 7_556 ?
S9 Ag28 2.428(10) 7_556 ?
S9 Ag24 2.455(7) . ?
S9 Ag23 2.468(8) . ?
S9 C26 1.84(3) . ?
S6 C17 1.90(2) . ?
S6 Ag7 2.581(8) . ?
S7 Ag17 2.365(9) . ?
S7 Ag18 2.666(14) . ?
S7 C20 1.90(4) . ?
S11 Ag20 2.512(10) . ?
S11 Ag25 2.477(9) . ?
S11 Ag26 2.402(9) . ?
S11 Ag12 2.491(9) . ?
S11 Ag29 2.520(9) . ?
S11 K1 2.520(9) . ?
S11 C32 1.90(2) . ?
S11 Ag30 2.54(2) . ?
S5 Ag7 2.690(8) . ?
S5 Ag27 2.668(11) . ?
S5 C14 1.98(5) . ?
S10 Ag25 2.694(11) . ?
S10 Ag26 2.222(10) . ?
S10 Ag22 2.460(10) . ?
S10 Ag21 2.699(11) . ?
S10 Ag12 2.526(8) 7_556 ?
S10 Ag23 2.232(10) . ?
S10 K1 3.711(10) . ?
S10 C29 1.74(3) . ?
S10 Ag30 2.91(2) 7_556 ?
S8 Ag22 2.88(2) . ?
S8 Ag21 2.253(12) . ?
S8 Ag15 2.557(9) . ?
S8 Ag17 2.377(10) . ?
S8 Ag18 2.436(9) . ?
S8 Ag29 2.434(9) . ?
S8 K1 2.434(9) . ?
S8 C23 1.88(2) . ?
S13 Ag15 2.698(10) . ?
S13 Ag15 2.916(11) 7 ?
S13 Ag16 2.458(8) 7 ?
S13 Ag16 2.513(10) . ?
S13 Ag18 2.577(16) . ?
S14 Ag30 2.35(2) . ?
S14 Ag30 2.35(2) 2_665 ?
S14 Ag30 2.35(2) 7_556 ?
S14 Ag30 2.35(2) 8_666 ?
O10 Ag20 2.450(13) . ?
O8 Ag21 2.407(15) . ?
O8 Ag29 2.406(12) . ?
O8 K1 2.406(12) . ?
O17 Ag25 2.514(19) 2_665 ?
O17 Ag25 2.514(19) . ?
O6 Ag27 2.419(13) . ?
O6 Ag28 2.423(15) . ?
O13 C39 1.23(2) . ?
C17 H17 1.0001 . ?
C17 C16 1.50(2) . ?
C17 C18 1.47(2) . ?
O11 Ag26 2.291(15) 7_556 ?
O11 Ag26 2.291(15) . ?
O4 Ag18 2.379(14) . ?
Ag7 Ag27 2.749(6) . ?
Ag7 O14 2.32(3) . ?
Ag7 O15 2.17(3) . ?
Ag20 Ag23 2.031(14) 7_556 ?
Ag26 Ag21 2.920(17) . ?
Ag26 Ag30 2.77(3) 7_556 ?
Ag26 Ag30 2.76(2) . ?
Ag27 O16 2.16(3) . ?
Ag28 O16 2.34(5) . ?
Ag22 Ag24 2.45(2) . ?
Ag15 Ag13 3.346(7) . ?
Ag15 Ag17 3.159(10) . ?
Ag16 Ag16 2.472(8) 7 ?
Ag16 Ag14 2.909(9) . ?
Ag12 O19 2.566(16) . ?
Ag23 Ag30 3.28(2) 7_556 ?
K1 H33B 2.9515 . ?
K1 H33C 2.9618 . ?
K1 H24A 2.8615 . ?
C26 H26 0.9993 . ?
C26 C27 1.63(5) . ?
C26 C25 1.45(4) . ?
C27 H27A 0.9798 . ?
C27 H27B 0.9801 . ?
C27 H27C 0.9793 . ?
C25 H25A 0.9806 . ?
C25 H25B 0.9806 . ?
C25 H25C 0.9797 . ?
C35 H35 0.9997 . ?
C35 C36 1.48(2) . ?
C35 C34 1.49(2) . ?
C36 H36A 0.9799 . ?
C36 H36B 0.9799 . ?
C36 H36C 0.9800 . ?
C34 H34A 0.9794 . ?
C34 H34B 0.9799 . ?
C34 H34C 0.9805 . ?
C8 H8 1.0001 . ?
C8 C9 1.43(4) . ?
C8 C7 1.61(4) . ?
C9 H9A 0.9805 . ?
C9 H9B 0.9813 . ?
C9 H9C 0.9809 . ?
C7 H7A 0.9796 . ?
C7 H7B 0.9777 . ?
C7 H7C 0.9799 . ?
C5 H5 0.9993 . ?
C5 C4 1.55(4) . ?
C5 C6 1.54(4) . ?
C4 H4A 0.9799 . ?
C4 H4B 0.9809 . ?
C4 H4C 0.9807 . ?
C6 H6A 0.9793 . ?
C6 H6B 0.9798 . ?
C6 H6C 0.9797 . ?
O12 C37 1.100(18) . ?
C2 H2 0.9997 . ?
C2 C3 1.57(2) . ?
C2 C1 1.57(2) . ?
C3 H3A 0.9801 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9798 . ?
O14 C39 1.46(2) . ?
C39 C40 1.41435(2) . ?
C40 H40A 0.9801 . ?
C40 H40B 0.9801 . ?
C40 H40C 0.9801 . ?
C1 H1A 0.9798 . ?
C1 H1B 0.9803 . ?
C1 H1C 0.9808 . ?
C32 H32 0.9994 . ?
C32 C31 1.52(3) . ?
C32 C33 1.51(3) . ?
C31 H31A 0.9811 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9805 . ?
C33 H33A 0.9793 . ?
C33 H33B 0.9798 . ?
C33 H33C 0.9790 . ?
C20 H20 1.0009 . ?
C20 C19 1.52(2) . ?
C20 C21 1.52(2) . ?
C19 H19A 0.9790 . ?
C19 H19B 0.9797 . ?
C19 H19C 0.9804 . ?
C21 H21A 0.9798 . ?
C21 H21B 0.9815 . ?
C21 H21C 0.9794 . ?
C12 H12A 0.9796 . ?
C12 H12B 0.9803 . ?
C12 H12C 0.9803 . ?
C12 C11 1.49(2) . ?
C11 H11 1.0008 . ?
C11 C10 1.47(2) . ?
C10 H10A 0.9803 . ?
C10 H10B 0.9809 . ?
C10 H10C 0.9795 . ?
C30 H30A 0.9795 . ?
C30 H30B 0.9804 . ?
C30 H30C 0.9802 . ?
C30 C29 1.48(2) . ?
C29 H29 1.0009 . ?
C29 C28 1.50(2) . ?
C28 H28A 0.9799 . ?
C28 H28B 0.9802 . ?
C28 H28C 0.9800 . ?
C14 H14 0.9995 . ?
C14 C15 1.51(2) . ?
C14 C13 1.53(2) . ?
C15 H15A 0.9793 . ?
C15 H15B 0.9806 . ?
C15 H15C 0.9799 . ?
C13 H13A 0.9799 . ?
C13 H13B 0.9797 . ?
C13 H13C 0.9800 . ?
O16 C41 1.35(2) . ?
C41 C42 1.61908(3) . ?
C41 O15 1.31(2) . ?
C42 H42A 0.9801 . ?
C42 H42B 0.9801 . ?
C42 H42C 0.9799 . ?
C24 H24A 0.9805 . ?
C24 H24B 0.9796 . ?
C24 H24C 0.9816 . ?
C24 C23 1.49(3) . ?
C23 H23 1.0004 . ?
C23 C22 1.50(2) . ?
C22 H22A 0.9794 . ?
C22 H22B 0.9798 . ?
C22 H22C 0.9798 . ?
C37 C38 1.60232(2) . ?
C38 H38A 0.9802 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C16 H16A 0.9798 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9820 . ?
C18 H18A 0.9799 . ?
C18 H18B 0.9803 . ?
C18 H18C 0.9816 . ?
Ag30 Ag30 3.25(5) 7_556 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Nb3 Nb1 O1 Ag1 -163.65(7) 7_556 . . . ?
Nb3 Nb1 O1 Ag1 -163.65(7) . . . 7_556 ?
Nb3 Nb1 O1 Ag1 16.35(7) . . . . ?
Nb3 Nb1 O1 Ag1 16.35(7) 7_556 . . 7_556 ?
Nb3 Nb2 O4 Ag10 -163.2(2) 7_556 . . . ?
Nb3 Nb2 O4 Ag18 104.2(10) 7_556 . . . ?
Nb1 Nb3 O6 Ag8 -72.5(8) . . . . ?
Nb1 Nb3 O6 Ag27 110.1(17) . . . . ?
Nb1 Nb3 O6 Ag28 179.3(9) . . . . ?
Nb1 Nb2 O4 Ag10 -76.0(8) . . . . ?
Nb1 Nb2 O4 Ag18 -168.6(5) . . . . ?
Nb2 Nb3 O6 Ag8 19.2(12) 7_556 . . . ?
Nb2 Nb3 O6 Ag27 -158.1(13) 7_556 . . . ?
Nb2 Nb3 O6 Ag28 -88.9(13) 7_556 . . . ?
Nb2 Nb1 O1 Ag1 -73.28(8) . . . 7_556 ?
Nb2 Nb1 O1 Ag1 106.72(8) 7_556 . . 7_556 ?
Nb2 Nb1 O1 Ag1 106.71(8) . . . . ?
Nb2 Nb1 O1 Ag1 -73.28(8) 7_556 . . . ?
Ag1 S2 C5 C4 66(2) . . . . ?
Ag1 S2 C5 C6 -51(3) . . . . ?
Ag1 S1 C2 C3 -87.0(19) 7_556 . . . ?
Ag1 S1 C2 C1 25(2) 7_556 . . . ?
Ag1 O12 C37 O12 -17.5(10) . . . 7_556 ?
Ag1 O12 C37 C38 162.5(10) . . . . ?
Ag2 S2 C5 C4 -35(3) . . . . ?
Ag2 S2 C5 C6 -152(2) . . . . ?
Ag2 S1 C2 C3 16(2) . . . . ?
Ag2 S1 C2 C1 128.0(17) . . . . ?
Ag2 S3 C8 C9 174(2) . . . . ?
Ag2 S3 C8 C7 48(2) . . . . ?
Ag8 S12 C35 C36 -62(3) . . . . ?
Ag8 S12 C35 C34 65(3) . . . . ?
Ag8 S6 C17 C16 -165.5(18) . . . . ?
Ag8 S6 C17 C18 -38(2) . . . . ?
Ag11 S4 C11 C12 42(3) . . . . ?
Ag11 S4 C11 C10 -91(2) . . . . ?
Ag11 S12 C35 C36 22(3) 7_556 . . . ?
Ag11 S12 C35 C34 150(2) 7_556 . . . ?
Ag10 S3 C8 C9 -33(3) . . . . ?
Ag10 S3 C8 C7 -159.1(17) . . . . ?
Ag9 S9 C26 C27 -152(2) 7_556 . . . ?
Ag9 S9 C26 C25 -30(3) 7_556 . . . ?
Ag3 S1 C2 C3 -168.7(15) . . . . ?
Ag3 S1 C2 C1 -56(2) . . . . ?
Ag3 S6 C17 C16 85(2) 7_556 . . . ?
Ag3 S6 C17 C18 -148(2) 7_556 . . . ?
Ag4 Nb2 O4 Ag10 -110.5(7) . . . . ?
Ag4 Nb2 O4 Ag18 156.9(11) . . . . ?
Ag4 S4 C11 C12 138(2) . . . . ?
Ag4 S4 C11 C10 4(3) . . . . ?
Ag4 S1 C2 C3 109.4(18) . . . . ?
Ag4 S1 C2 C1 -138.3(18) . . . . ?
Ag5 S3 C8 C9 -112(2) . . . . ?
Ag5 S3 C8 C7 121.5(18) . . . . ?
Ag6 S2 C5 C4 -162(2) . . . . ?
Ag6 S2 C5 C6 81(2) . . . . ?
Ag6 O13 C39 O14 -6(3) . . . . ?
Ag6 O13 C39 C40 177.1(13) . . . . ?
O3 Nb3 O6 Ag8 -72.0(8) 7_556 . . . ?
O3 Nb3 O6 Ag27 110.6(17) 7_556 . . . ?
O3 Nb3 O6 Ag28 179.8(11) 7_556 . . . ?
O3 Nb1 O1 Ag1 16.7(4) 7_556 . . . ?
O3 Nb1 O1 Ag1 -163.3(4) . . . . ?
O3 Nb1 O1 Ag1 16.7(4) . . . 7_556 ?
O3 Nb1 O1 Ag1 -163.3(4) 7_556 . . 7_556 ?
O10 Nb3 O6 Ag8 108.6(7) . . . . ?
O10 Nb3 O6 Ag27 -68.8(18) . . . . ?
O10 Nb3 O6 Ag28 0.4(13) . . . . ?
O10 Nb4 O11 Ag26 110.9(4) . . . . ?
O10 Nb4 O11 Ag26 -69.1(4) . . . 7_556 ?
O10 Nb4 O11 Ag26 -69.1(4) 7_556 . . . ?
O10 Nb4 O11 Ag26 110.9(4) 7_556 . . 7_556 ?
O8 Nb2 O4 Ag10 104.0(7) . . . . ?
O8 Nb2 O4 Ag18 11.4(11) . . . . ?
O8 Nb4 O11 Ag26 -158.8(4) 7_556 . . . ?
O8 Nb4 O11 Ag26 21.2(4) . . . . ?
O8 Nb4 O11 Ag26 -158.8(4) . . . 7_556 ?
O8 Nb4 O11 Ag26 21.2(4) 7_556 . . 7_556 ?
O2 Nb1 O1 Ag1 -73.3(4) 7_556 . . . ?
O2 Nb1 O1 Ag1 -73.3(4) . . . 7_556 ?
O2 Nb1 O1 Ag1 106.7(4) 7_556 . . 7_556 ?
O2 Nb1 O1 Ag1 106.7(4) . . . . ?
O2 Nb2 O4 Ag10 -75.5(7) . . . . ?
O2 Nb2 O4 Ag18 -168.1(9) . . . . ?
O5 Nb3 O6 Ag8 -162.9(7) . . . . ?
O5 Nb3 O6 Ag27 19.8(19) . . . . ?
O5 Nb3 O6 Ag28 89.0(12) . . . . ?
O5 Nb2 O4 Ag10 15.1(8) . . . . ?
O5 Nb2 O4 Ag18 -77.5(11) . . . . ?
Ag7 S6 C17 C16 -64(2) . . . . ?
Ag7 S6 C17 C18 63(2) . . . . ?
Ag7 O14 C39 O13 11(3) . . . . ?
Ag7 O14 C39 C40 -171.6(7) . . . . ?
O9 Nb3 O6 Ag8 19.4(9) . . . . ?
O9 Nb3 O6 Ag27 -157.9(17) . . . . ?
O9 Nb3 O6 Ag28 -88.7(13) . . . . ?
O9 Nb2 O4 Ag10 -165.2(7) 7_556 . . . ?
O9 Nb2 O4 Ag18 102.2(10) 7_556 . . . ?
Ag20 S9 C26 C27 119(2) 7_556 . . . ?
Ag20 S9 C26 C25 -119(2) 7_556 . . . ?
Ag25 S10 C29 C30 -166(3) . . . . ?
Ag25 S10 C29 C28 41(3) . . . . ?
Ag26 S10 C29 C30 -173(2) . . . . ?
Ag26 S10 C29 C28 34(4) . . . . ?
Ag27 S9 C26 C27 -81(2) 7_556 . . . ?
Ag27 S9 C26 C25 42(2) 7_556 . . . ?
Ag27 O16 C41 C42 178(3) . . . . ?
Ag27 O16 C41 O15 70(3) . . . . ?
Ag28 S12 C35 C36 -134(2) . . . . ?
Ag28 S12 C35 C34 -7(3) . . . . ?
Ag28 S9 C26 C27 -48(2) 7_556 . . . ?
Ag28 S9 C26 C25 74(2) 7_556 . . . ?
Ag28 O16 C41 C42 -144(2) . . . . ?
Ag28 O16 C41 O15 108(3) . . . . ?
Ag22 S12 C35 C36 105(2) 7_556 . . . ?
Ag22 S12 C35 C34 -128(2) 7_556 . . . ?
Ag22 S10 C29 C30 83(3) . . . . ?
Ag22 S10 C29 C28 -70(3) . . . . ?
Ag22 S8 C23 C24 114(4) . . . . ?
Ag22 S8 C23 C22 -103(7) . . . . ?
Ag21 S10 C29 C30 105(3) . . . . ?
Ag21 S10 C29 C28 -48(4) . . . . ?
Ag21 S8 C23 C24 97(4) . . . . ?
Ag21 S8 C23 C22 -119(7) . . . . ?
Ag15 S4 C11 C12 -51(3) . . . . ?
Ag15 S4 C11 C10 176(2) . . . . ?
Ag15 S8 C23 C24 -105(4) . . . . ?
Ag15 S8 C23 C22 38(8) . . . . ?
Ag16 S4 C11 C12 -84(2) . . . . ?
Ag16 S4 C11 C10 142(2) . . . . ?
Ag13 S4 C11 C12 -136(2) . . . . ?
Ag13 S4 C11 C10 90(2) . . . . ?
Ag13 S3 C8 C9 48(3) . . . . ?
Ag13 S3 C8 C7 -78.0(19) . . . . ?
Ag14 S4 C11 C12 -158(2) . . . . ?
Ag14 S4 C11 C10 69(2) . . . . ?
Ag14 S3 C8 C9 70(3) . . . . ?
Ag14 S3 C8 C7 -56(2) . . . . ?
Ag12 S10 C29 C30 -78(3) 7_556 . . . ?
Ag12 S10 C29 C28 128(3) 7_556 . . . ?
Ag24 S12 C35 C36 171(2) 7_556 . . . ?
Ag24 S12 C35 C34 -62(3) 7_556 . . . ?
Ag24 S9 C26 C27 16(3) . . . . ?
Ag24 S9 C26 C25 139(2) . . . . ?
Ag23 S9 C26 C27 65(2) . . . . ?
Ag23 S9 C26 C25 -172(2) . . . . ?
Ag23 S10 C29 C30 -7(4) . . . . ?
Ag23 S10 C29 C28 -161(3) . . . . ?
Ag17 S8 C23 C24 -24(6) . . . . ?
Ag17 S8 C23 C22 119(7) . . . . ?
Ag18 S8 C23 C24 -53(5) . . . . ?
Ag18 S8 C23 C22 90(7) . . . . ?
Ag29 S8 C23 C24 43(5) . . . . ?
Ag29 S8 C23 C22 -174(7) . . . . ?
K1 Nb2 O4 Ag10 106.7(7) . . . . ?
K1 S10 C29 C30 138(3) . . . . ?
K1 S10 C29 C28 -15(4) . . . . ?
K1 S8 C23 C24 43(5) . . . . ?
K1 S8 C23 C22 -174(7) . . . . ?
O16 C41 O15 Ag7 -91(3) . . . . ?
C42 C41 O15 Ag7 178.2(18) . . . . ?
Ag30 S10 C29 C30 -97(3) 7_556 . . . ?
Ag30 S10 C29 C28 110(3) 7_556 . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 166.1 45.0 '4 H3O'
2 0.000 0.500 -0.296 600.6 164.0 '4 H9O4'
3 0.178 0.178 0.000 129.1 13.9 '1.5 H2O'
4 0.322 0.678 0.500 129.1 13.7 '1.5 H2O'
5 0.500 0.000 -0.783 600.6 163.3 '4 H9O4'
6 0.500 0.500 1.000 166.1 44.9 '4 H3O'
7 0.678 0.322 0.500 129.1 15.1 '1.5 H2O'
8 0.822 0.822 0.000 129.1 14.5 '1.5 H2O'
