#------------------------------------------------------------------------------
#$Date: 2017-11-29 11:42:56 +0200 (Wed, 29 Nov 2017) $
#$Revision: 203779 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/83/1548316.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_1548316
loop_
_publ_author_name
'Hong-Ying Zang'
'Andreu Ruiz de la Oliva'
'Haralampos N. Miras'
'De-Liang Long'
'Roy T. McBurney'
'Leroy Cronin'
_publ_section_title
;
 Discovery of gigantic molecular nanostructures using a flow reaction
 array as a search engine
;
_journal_name_full               'Nature Communications'
_journal_page_first              3715
_journal_paper_doi               10.1038/ncomms4715
_journal_volume                  5
_journal_year                    2014
_chemical_formula_moiety         C61H141N7S18O99K8Mo18
_chemical_formula_sum            'C61 H141 K8 Mo18 N7 O99 S18'
_chemical_formula_weight         5173.65
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 113.034(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.5759(9)
_cell_length_b                   17.0735(5)
_cell_length_c                   38.4463(12)
_cell_measurement_reflns_used    7773
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      19.59
_cell_measurement_theta_min      2.17
_cell_volume                     18470.3(10)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker APEX2'
_computing_molecular_graphics    Diamond
_computing_publication_material  Wingx
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.493
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II Quasar CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1011
_diffrn_reflns_av_unetI/netI     0.0812
_diffrn_reflns_Laue_measured_fraction_full 0.493
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            91553
_diffrn_reflns_point_group_measured_fraction_full 0.493
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         19.732
_diffrn_reflns_theta_min         1.881
_diffrn_source                   'Fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.648
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.883
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_description       block
_exptl_crystal_F_000             10176
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_refine_diff_density_max         2.917
_refine_diff_density_min         -0.989
_refine_diff_density_rms         0.210
_refine_ls_extinction_coef       0.00020(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1536
_refine_ls_number_reflns         16480
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1126
_refine_ls_R_factor_gt           0.0711
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0914P)²+700.4217P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1831
_refine_ls_wR_factor_ref         0.2152
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11222
_reflns_number_total             16480
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ncomms4715-s8.cif
_cod_data_source_block           shelx
_cod_database_code               1548316
_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_min   0.852
_shelx_estimated_absorpt_t_max   0.937
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Mo1 Mo 0.70145(6) 0.30296(11) -0.13539(5) 0.0284(5) Uani 1 1 d . . . . .
Mo2 Mo 0.81475(6) -0.10631(11) 0.13771(5) 0.0242(5) Uani 1 1 d . . . . .
Mo3 Mo 0.88287(6) 0.52620(11) 0.10795(5) 0.0248(5) Uani 1 1 d . . . . .
Mo4 Mo 0.97804(6) 0.11155(11) 0.07437(5) 0.0224(5) Uani 1 1 d . . . . .
Mo5 Mo 0.73275(6) 0.31326(11) 0.18860(5) 0.0243(5) Uani 1 1 d . . . . .
Mo6 Mo 0.54279(6) 0.10215(12) -0.05277(6) 0.0332(6) Uani 1 1 d . . . . .
Mo7 Mo 1.07111(7) 0.17791(12) 0.10612(6) 0.0319(6) Uani 1 1 d . . . . .
Mo8 Mo 0.98018(7) 0.57518(11) 0.13720(5) 0.0281(5) Uani 1 1 d . . . . .
Mo9 Mo 0.73938(6) 0.24022(11) 0.25725(6) 0.0279(5) Uani 1 1 d . . . . .
Mo10 Mo 0.78005(6) 0.31287(11) -0.06465(5) 0.0269(5) Uani 1 1 d . . . . .
Mo11 Mo 0.61353(6) 0.09668(11) 0.02171(6) 0.0293(5) Uani 1 1 d . . . . .
Mo12 Mo 0.79416(7) -0.08165(11) 0.27931(5) 0.0287(5) Uani 1 1 d . . . . .
Mo13 Mo 0.81460(6) -0.15517(11) 0.20851(5) 0.0256(5) Uani 1 1 d . . . . .
Mo14 Mo 1.08440(7) 0.49879(12) 0.15324(6) 0.0331(6) Uani 1 1 d . . . . .
Mo15 Mo 0.76581(6) 0.06823(11) 0.29723(5) 0.0283(5) Uani 1 1 d . . . . .
Mo16 Mo 1.11785(7) 0.34766(12) 0.14253(6) 0.0349(6) Uani 1 1 d . . . . .
Mo17 Mo 0.59128(7) 0.24216(13) -0.16629(6) 0.0357(6) Uani 1 1 d . . . . .
Mo18 Mo 0.53145(7) 0.16697(13) -0.13524(6) 0.0375(6) Uani 1 1 d . . . . .
S1 S 0.74987(19) -0.1404(3) 0.15146(16) 0.0295(15) Uani 1 1 d . . . . .
S2 S 1.01204(19) 0.1997(3) 0.04623(16) 0.0303(15) Uani 1 1 d . . . . .
S3 S 0.9285(2) 0.5615(3) 0.07426(16) 0.0329(15) Uani 1 1 d . . . . .
S4 S 0.80047(18) 0.2939(3) 0.24323(15) 0.0252(14) Uani 1 1 d . . . . .
S5 S 0.94063(19) 0.5063(3) 0.16765(15) 0.0305(15) Uani 1 1 d . . . . .
S6 S 1.02937(19) 0.1170(3) 0.13734(16) 0.0323(15) Uani 1 1 d . . . . .
S7 S 0.75524(19) 0.2048(3) -0.10397(16) 0.0303(15) Uani 1 1 d . . . . .
S8 S 1.09162(19) 0.4495(4) 0.09968(16) 0.0359(16) Uani 1 1 d . . . . .
S9 S 0.56417(19) 0.2010(4) -0.00784(17) 0.0371(16) Uani 1 1 d . . . . .
S10 S 0.60593(19) 0.0155(3) -0.02840(17) 0.0345(16) Uani 1 1 d . . . . .
S11 S 0.87367(18) -0.0886(3) 0.19714(16) 0.0284(14) Uani 1 1 d . . . . .
S12 S 0.7183(2) -0.0295(3) 0.25973(16) 0.0346(15) Uani 1 1 d . . . . .
S13 S 0.84171(19) 0.0273(3) 0.30525(16) 0.0309(15) Uani 1 1 d . . . . .
S14 S 0.5491(2) 0.2995(4) -0.13411(18) 0.0407(17) Uani 1 1 d . . . . .
S15 S 0.7167(2) 0.3977(3) -0.08902(16) 0.0341(15) Uani 1 1 d . . . . .
S16 S 0.67857(19) 0.2298(3) 0.19772(16) 0.0319(15) Uani 1 1 d . . . . .
S17 S 1.0972(2) 0.3902(4) 0.19117(17) 0.0391(16) Uani 1 1 d . . . . .
S18 S 0.5867(2) 0.1103(4) -0.15449(17) 0.0396(16) Uani 1 1 d . . . . .
K1 K 0.90111(16) -0.2887(3) 0.17715(13) 0.0266(12) Uani 1 1 d . . . . .
K2 K 0.77057(18) 0.4596(3) 0.28147(14) 0.0380(14) Uani 1 1 d . . . . .
K3 K 0.82194(17) 0.3018(3) -0.15177(13) 0.0379(14) Uani 1 1 d . . . . .
K4 K 0.86544(18) -0.3675(3) 0.26372(13) 0.0339(13) Uani 1 1 d . . . . .
K5 K 0.7970(2) 0.3409(4) 0.06248(19) 0.0407(18) Uani 0.8 1 d . . P . .
K6 K 0.7772(2) 0.0849(4) 0.06513(19) 0.051(2) Uani 0.8 1 d . . P . .
K7 K 1.0819(2) -0.0586(5) 0.1131(2) 0.072(2) Uani 0.9 1 d . . P . .
K8 K 0.51972(17) -0.1043(3) -0.01840(16) 0.0485(15) Uani 1 1 d . . . . .
K9 K 1.0443(3) 0.0521(6) 0.0083(3) 0.038(3) Uani 0.5 1 d . . P . .
O1 O 0.7246(5) 0.3421(8) -0.1647(4) 0.035(4) Uani 1 1 d . . . . .
O2 O 0.6561(4) 0.2181(8) -0.1722(4) 0.030(4) Uani 1 1 d . . . . .
O3 O 0.6314(5) 0.3452(9) -0.1604(4) 0.038(4) Uani 1 1 d . . . . .
O4 O 0.6560(4) 0.2469(7) -0.1080(4) 0.024(3) Uani 1 1 d . . . . .
O5 O 0.5542(5) 0.2505(10) -0.2117(4) 0.049(5) Uani 1 1 d . . . . .
O6 O 0.4803(5) 0.1605(10) -0.1736(4) 0.052(5) Uani 1 1 d . . . . .
O7 O 0.5304(5) 0.0607(8) -0.1075(4) 0.036(4) Uani 1 1 d . . . . .
O8 O 0.5040(4) 0.1848(9) -0.0934(4) 0.038(4) Uani 1 1 d . . . . .
O9 O 0.5922(5) 0.1654(8) -0.0740(4) 0.028(4) Uiso 1 1 d . . . . .
O10 O 0.4996(4) 0.0543(8) -0.0444(4) 0.037(4) Uani 1 1 d . . . . .
O11 O 0.5810(5) 0.0499(8) 0.0419(4) 0.034(4) Uiso 1 1 d . . . . .
O12 O 0.6765(4) 0.1623(7) 0.0102(4) 0.024(3) Uani 1 1 d . . . . .
O13 O 0.6772(4) 0.0331(9) 0.0527(4) 0.032(4) Uani 1 1 d . . . . .
O14 O 0.6490(5) 0.1737(8) 0.0683(4) 0.030(4) Uani 1 1 d . . . . .
O15 O 0.7679(4) -0.0715(7) 0.0837(4) 0.025(3) Uani 1 1 d . . . . .
O16 O 0.8302(4) -0.1924(7) 0.1248(4) 0.028(4) Uani 1 1 d . . . . .
O17 O 0.7926(4) 0.0301(7) 0.1421(4) 0.027(4) Uani 1 1 d . . . . .
O18 O 0.8558(4) -0.0339(7) 0.1171(4) 0.023(3) Uani 1 1 d . . . . .
O19 O 0.8302(5) -0.2498(7) 0.2087(4) 0.031(4) Uani 1 1 d . . . . .
O20 O 0.7676(5) -0.1673(7) 0.2364(4) 0.030(4) Uani 1 1 d . . . . .
O21 O 0.8500(5) -0.1303(8) 0.2666(4) 0.028(4) Uiso 1 1 d . . . . .
O22 O 0.7927(4) -0.0348(8) 0.2210(4) 0.026(4) Uiso 1 1 d . . . . .
O23 O 0.7995(5) -0.1352(8) 0.3170(4) 0.033(4) Uani 1 1 d . . . . .
O24 O 0.7639(5) 0.0496(8) 0.3397(4) 0.037(4) Uani 1 1 d . . . . .
O25 O 0.7897(4) 0.1863(7) 0.3066(4) 0.026(4) Uani 1 1 d . . . . .
O26 O 0.7086(4) 0.1466(8) 0.2752(4) 0.027(4) Uiso 1 1 d . . . . .
O27 O 0.7638(4) 0.1257(7) 0.2418(4) 0.024(4) Uani 1 1 d . . . . .
O28 O 0.7231(5) 0.3151(8) 0.2775(4) 0.034(4) Uani 1 1 d . . . . .
O29 O 0.7144(5) 0.4019(8) 0.1966(4) 0.032(4) Uani 1 1 d . . . . .
O30 O 0.7623(4) 0.2023(8) 0.1639(4) 0.026(4) Uani 1 1 d . . . . .
O31 O 0.7772(4) 0.3609(8) 0.1624(4) 0.022(3) Uani 1 1 d . . . . .
O32 O 0.6914(5) 0.3043(8) 0.1306(4) 0.029(4) Uiso 1 1 d . . . . .
O33 O 0.9267(4) 0.0622(7) 0.0931(3) 0.019(3) Uiso 1 1 d . . . . .
O34 O 0.9127(4) 0.1277(8) 0.0283(4) 0.027(4) Uani 1 1 d . . . . .
O35 O 0.9925(5) 0.0257(8) 0.0607(4) 0.030(4) Uani 1 1 d . . . . .
O36 O 0.9366(4) 0.2179(8) 0.0886(4) 0.023(3) Uani 1 1 d . . . . .
O37 O 1.1036(5) 0.1031(8) 0.0996(4) 0.039(4) Uani 1 1 d . . . . .
O38 O 1.0428(5) 0.2932(8) 0.1181(4) 0.029(4) Uani 1 1 d . . . . .
O39 O 1.1108(5) 0.2712(8) 0.0971(4) 0.036(4) Uani 1 1 d . . . . .
O40 O 1.1169(5) 0.2257(8) 0.1591(4) 0.035(4) Uiso 1 1 d . . . . .
O41 O 1.1771(5) 0.3589(8) 0.1605(4) 0.039(4) Uani 1 1 d . . . . .
O42 O 1.1355(5) 0.5493(9) 0.1737(4) 0.041(4) Uani 1 1 d . . . . .
O43 O 1.0381(5) 0.5871(8) 0.1208(4) 0.035(4) Uani 1 1 d . . . . .
O44 O 1.0452(5) 0.5498(8) 0.1819(4) 0.030(4) Uiso 1 1 d . . . . .
O45 O 1.0051(5) 0.4556(8) 0.1277(4) 0.027(4) Uiso 1 1 d . . . . .
O46 O 0.9724(5) 0.6685(8) 0.1471(4) 0.032(4) Uani 1 1 d . . . . .
O47 O 0.8586(5) 0.6133(8) 0.1124(4) 0.030(4) Uiso 1 1 d . . . . .
O48 O 0.8960(5) 0.3905(8) 0.0979(4) 0.029(4) Uani 1 1 d . . . . .
O49 O 0.8301(4) 0.4912(8) 0.0567(4) 0.028(4) Uani 1 1 d . . . . .
O50 O 0.8362(4) 0.4568(7) 0.1255(3) 0.021(3) Uani 1 1 d . . . . .
O51 O 0.8206(5) 0.3525(8) -0.0788(4) 0.033(4) Uani 1 1 d . . . . .
O52 O 0.8006(5) 0.3804(9) -0.0138(4) 0.033(4) Uani 1 1 d . . . . .
O53 O 0.8322(4) 0.2384(7) -0.0246(3) 0.022(3) Uiso 1 1 d . . . . .
O54 O 0.7450(5) 0.2535(7) -0.0256(4) 0.026(4) Uiso 1 1 d . . . . .
O55 O 0.8356(6) 0.6414(10) 0.0052(5) 0.054(5) Uiso 1 1 d . . . . .
O56 O 0.8070(6) 0.5301(10) -0.0670(5) 0.063(5) Uani 1 1 d . . . . .
O57 O 0.7040(6) -0.2273(10) 0.0583(5) 0.069(6) Uani 1 1 d . . . . .
O58 O 0.6083(5) -0.1260(9) 0.0319(5) 0.050(5) Uani 1 1 d . . . . .
O59 O 1.0104(7) -0.0716(12) 0.1314(6) 0.084(6) Uiso 1 1 d . . . . .
O60 O 0.9374(5) -0.1704(9) 0.1537(6) 0.070(6) Uani 1 1 d . . . . .
O61 O 0.8736(5) 0.2149(9) -0.0923(4) 0.043(4) Uani 1 1 d . . . . .
O62 O 0.9522(6) 0.0974(9) -0.0382(4) 0.044(4) Uani 1 1 d . . . . .
O63 O 0.5866(5) 0.3337(9) 0.1325(5) 0.053(5) Uani 1 1 d . . . . .
O64 O 0.5433(6) 0.1999(9) 0.0705(5) 0.055(5) Uiso 1 1 d . . . . .
O65 O 0.8069(5) 0.4935(8) 0.2317(4) 0.035(4) Uani 1 1 d . . . . .
O66 O 0.8651(6) 0.5840(9) 0.1946(4) 0.041(4) Uani 1 1 d . . . . .
O67 O 0.5758(8) -0.0653(14) -0.1174(7) 0.058(7) Uiso 0.7 1 d . . P . .
O68 O 0.9901(6) 0.2604(10) 0.1955(5) 0.055(5) Uani 1 1 d . . . . .
O69 O 0.695(4) 0.494(6) 0.108(3) 0.09(3) Uiso 0.2 1 d . . P . .
O70 O 0.7931(4) -0.2740(7) 0.0523(4) 0.026(3) Uiso 1 1 d . . . . .
O71 O 0.7829(5) 0.3191(8) -0.2286(4) 0.032(4) Uani 1 1 d . . . . .
O72 O 0.8342(6) 0.1886(9) 0.0484(4) 0.054(5) Uiso 1 1 d . . . . .
O73 O 0.7473(5) 0.2419(9) 0.0874(4) 0.045(4) Uiso 1 1 d . . . . .
O74 O 0.7758(12) 0.763(2) -0.0201(10) 0.067(11) Uiso 0.5 1 d . . P . .
O75 O 1.0843(6) 0.2141(9) 0.2177(4) 0.052(5) Uani 1 1 d . . . . .
O76 O 0.4486(5) 0.3065(8) -0.2143(4) 0.033(4) Uiso 1 1 d . . . . .
O77 O 0.9329(6) -0.0497(10) 0.2899(5) 0.062(5) Uiso 1 1 d . . . . .
O78 O 1.1684(6) -0.0506(9) 0.1061(4) 0.052(5) Uani 1 1 d . . . . .
O79 O 0.8841(7) -0.2660(11) 0.0735(5) 0.050(6) Uiso 0.8 1 d . . P . .
O80 O 0.7065(6) 0.5795(10) 0.2508(5) 0.068(5) Uani 1 1 d . . . . .
O81 O 0.6824(6) 0.0652(10) -0.1663(5) 0.067(5) Uani 1 1 d . . . . .
O82 O 0.9526(7) -0.3173(12) 0.2525(6) 0.060(6) Uiso 0.8 1 d . . P . .
O83 O 1.0000 0.3688(14) 0.2500 0.035(7) Uani 0.8 2 d S T P . .
O84 O 0.8364(8) 0.0130(13) 0.0273(6) 0.051(6) Uiso 0.7 1 d . . P . .
O85 O 0.9032(8) 0.2769(14) -0.1674(6) 0.014(6) Uiso 0.5 1 d . . P . .
O86 O 0.7892(8) 0.4761(14) -0.1416(7) 0.057(7) Uiso 0.7 1 d . . P . .
O87 O 0.7484(7) 0.6355(11) -0.1280(7) 0.089(7) Uani 1 1 d . . . . .
O88 O 1.0552(7) 0.4922(12) 0.2475(5) 0.055(6) Uani 0.8 1 d . . P . .
O89 O 0.6195(7) 0.1050(13) 0.2350(6) 0.050(7) Uani 0.7 1 d . . P . .
O90 O 0.9831(7) 0.3843(12) -0.0487(6) 0.053(6) Uiso 0.8 1 d . . P . .
O91 O 0.7837(7) 0.2219(12) 0.3757(6) 0.059(6) Uiso 0.8 1 d . . P . .
O92 O 0.6767(7) -0.2022(12) 0.2006(6) 0.053(6) Uiso 0.8 1 d . . P . .
O93 O 0.6064(8) 0.4782(13) -0.1358(9) 0.074(9) Uani 0.7 1 d . . P . .
O94 O 0.9647(10) 0.2064(16) -0.1947(8) 0.059(8) Uiso 0.6 1 d . . P . .
O95 O 0.6275(10) -0.2026(16) 0.2468(8) 0.034(8) Uiso 0.5 1 d . . P . .
O96 O 0.4747(11) 0.3206(18) -0.0777(9) 0.049(9) Uiso 0.5 1 d . . P . .
O97 O 0.5000 0.104(3) -0.2500 0.048(12) Uiso 0.5 2 d S . P . .
O98 O 0.5554(9) -0.1676(16) -0.0694(7) 0.054(8) Uiso 0.6 1 d . . P . .
O99 O 0.3753(10) 0.4060(18) -0.2682(8) 0.046(9) Uiso 0.5 1 d . . P . .
O100 O 1.1462(10) 0.0211(17) 0.0392(8) 0.042(8) Uiso 0.5 1 d . . P . .
O101 O 1.0894(13) 0.320(2) 0.0175(10) 0.057(10) Uiso 0.5 1 d . . P . .
O103 O 0.732(2) 0.846(4) -0.0115(17) 0.050(18) Uiso 0.25 1 d . . P . .
O104 O 0.6820(15) 0.198(2) 0.3364(12) 0.024(11) Uiso 0.3 1 d . . P . .
O105 O 0.7284(11) 0.0133(19) -0.0091(9) 0.056(9) Uiso 0.5 1 d . . P . .
O106 O 0.7280(16) 0.596(3) 0.0206(13) 0.033(12) Uiso 0.3 1 d . . P . .
O107 O 0.6858(15) 0.580(3) 0.1724(12) 0.031(12) Uiso 0.3 1 d . . P . .
O109 O 0.8206(18) 0.169(3) 0.4451(14) 0.047(14) Uiso 0.3 1 d . . P . .
O110 O 0.5976(15) 0.048(3) -0.2391(12) 0.064(13) Uiso 0.4 1 d . . P . .
O111 O 0.692(2) 0.006(4) -0.0893(17) 0.047(17) Uiso 0.25 1 d . . P . .
O112 O 1.062(2) 0.168(4) -0.0304(19) 0.06(2) Uiso 0.25 1 d . . P . .
O113 O 0.562(2) -0.266(4) 0.0277(17) 0.049(18) Uiso 0.25 1 d . . P . .
O114 O 0.8437(19) -0.147(3) 0.0413(16) 0.036(16) Uiso 0.25 1 d . . P . .
O115 O 0.538(2) -0.094(4) -0.1882(19) 0.059(19) Uiso 0.25 1 d . . P . .
O117 O 0.7091(17) 0.474(3) 0.3216(14) 0.044(14) Uiso 0.3 1 d . . P . .
O118 O 0.680(2) 0.630(4) -0.0758(17) 0.045(17) Uiso 0.25 1 d . . P . .
O120 O 0.4887(18) 0.307(3) 0.1139(14) 0.028(14) Uiso 0.25 1 d . . P . .
O121 O 0.482(2) 0.465(4) -0.0992(19) 0.06(2) Uiso 0.25 1 d . . P . .
O122 O 0.331(5) 0.308(9) -0.120(4) 0.11(5) Uiso 0.15 1 d . . P . .
O123 O 0.640(2) -0.240(3) -0.0299(17) 0.045(17) Uiso 0.25 1 d . . P . .
O124 O 0.639(3) -0.357(4) 0.023(2) 0.05(2) Uiso 0.2 1 d . . P . .
O125 O 1.0443(19) 0.083(3) 0.2540(15) 0.058(16) Uiso 0.3 1 d . . P . .
O126 O 1.1133(13) 0.285(2) 0.0321(10) 0.062(10) Uiso 0.5 1 d . . P . .
O127 O 0.7221(12) 0.4332(19) 0.0228(10) 0.053(9) Uiso 0.5 1 d . . P . .
O128 O 0.6181(19) 0.395(3) 0.2145(15) 0.059(16) Uiso 0.3 1 d . . P . .
O129 O 1.026(3) 0.227(5) -0.067(2) 0.06(2) Uiso 0.2 1 d . . P . .
N1 N 0.9119(7) 0.2224(11) 0.1720(5) 0.044(5) Uiso 1 1 d . . . . .
N2 N 0.6480(16) 0.392(3) -0.0067(13) 0.065(13) Uiso 0.5 1 d . . P . .
N3 N 0.6106(6) -0.0174(12) 0.1407(7) 0.062(7) Uani 1 1 d . . . . .
N4 N 0.9545(6) 0.3914(10) -0.0045(5) 0.034(5) Uani 1 1 d . . . . .
N5 N 0.7564(12) -0.349(2) 0.1283(9) 0.032(9) Uiso 0.5 1 d . . P . .
C1 C 0.6646(7) 0.2267(12) -0.0740(7) 0.025(5) Uani 1 1 d . . . . .
C2 C 0.6351(7) 0.1861(12) -0.0590(6) 0.023(5) Uiso 1 1 d . . . . .
C3 C 0.6730(7) 0.1859(11) -0.0213(6) 0.020(5) Uiso 1 1 d . . . . .
C4 C 0.7037(7) 0.2277(11) -0.0378(5) 0.020(5) Uiso 1 1 d . . . . .
C5 C 0.6291(6) 0.2172(11) 0.0859(6) 0.027(6) Uani 1 1 d D . . . .
C6 C 0.6495(7) 0.2749(12) 0.1136(6) 0.028(6) Uani 1 1 d D . . . .
C7 C 0.6025(8) 0.2874(12) 0.1141(6) 0.038(6) Uiso 1 1 d D . . . .
C8 C 0.5838(6) 0.2289(11) 0.0865(5) 0.026(5) Uiso 1 1 d D . . . .
C9 C 0.7228(6) -0.0888(10) 0.0680(6) 0.026(5) Uiso 1 1 d D . . . .
C10 C 0.6816(6) -0.0425(10) 0.0540(5) 0.029(6) Uani 1 1 d D . . . .
C11 C 0.6531(7) -0.1103(11) 0.0445(6) 0.043(7) Uiso 1 1 d D . . . .
C12 C 0.6946(7) -0.1566(11) 0.0572(7) 0.048(7) Uani 1 1 d D . . . .
C13 C 0.7716(7) 0.1033(9) 0.2130(5) 0.019(5) Uiso 1 1 d D . . . .
C14 C 0.7844(7) 0.0306(9) 0.2029(5) 0.026(6) Uani 1 1 d D . . . .
C15 C 0.7840(7) 0.0609(10) 0.1689(5) 0.025(5) Uiso 1 1 d D . . . .
C16 C 0.7707(7) 0.1340(10) 0.1788(5) 0.020(5) Uiso 1 1 d D . . . .
C17 C 0.8297(6) 0.4657(10) 0.1563(5) 0.017(5) Uiso 1 1 d D . . . .
C18 C 0.8023(6) 0.4254(10) 0.1726(4) 0.018(5) Uani 1 1 d D . . . .
C19 C 0.8143(6) 0.4808(10) 0.2021(5) 0.021(5) Uiso 1 1 d D . . . .
C20 C 0.8409(7) 0.5218(11) 0.1853(5) 0.029(6) Uani 1 1 d D . . . .
C21 C 0.9020(6) 0.1535(11) -0.0060(5) 0.021(5) Uiso 1 1 d D . . . .
C22 C 0.8662(6) 0.2026(11) -0.0304(5) 0.022(5) Uani 1 1 d D . . . .
C23 C 0.8838(6) 0.1909(11) -0.0590(5) 0.023(5) Uiso 1 1 d D . . . .
C24 C 0.9196(7) 0.1422(12) -0.0343(5) 0.032(6) Uani 1 1 d D . . . .
C25 C 0.8102(7) 0.4524(14) -0.0095(6) 0.025(5) Uani 1 1 d . . . . .
C26 C 0.8233(7) 0.5056(12) 0.0223(7) 0.027(6) Uani 1 1 d . . . . .
C27 C 0.8116(8) 0.5202(15) -0.0344(7) 0.043(7) Uani 1 1 d . . . . .
C28 C 0.8251(8) 0.5696(15) -0.0007(7) 0.045(7) Uiso 1 1 d . . . . .
C29 C 1.0014(8) 0.3166(13) 0.1130(6) 0.026(6) Uani 1 1 d . . . . .
C30 C 0.9849(7) 0.3902(12) 0.1175(5) 0.019(5) Uani 1 1 d . . . . .
C31 C 0.9541(7) 0.2833(12) 0.0994(5) 0.019(5) Uiso 1 1 d . . . . .
C32 C 0.9356(7) 0.3636(11) 0.1036(5) 0.018(5) Uiso 1 1 d . . . . .
C33 C 0.9304(6) -0.0025(10) 0.1103(5) 0.017(5) Uiso 1 1 d D . . . .
C34 C 0.8997(6) -0.0457(10) 0.1221(5) 0.021(5) Uiso 1 1 d D . . . .
C35 C 0.9335(7) -0.1054(12) 0.1373(6) 0.040(6) Uiso 1 1 d D . . . .
C36 C 0.9648(7) -0.0604(12) 0.1268(7) 0.063(8) Uiso 1 1 d D . . . .
C37 C 0.8766(10) 0.1603(17) 0.1509(9) 0.078(10) Uani 1 1 d . . . . .
C38 C 0.8938(9) 0.2962(14) 0.1819(7) 0.055(8) Uani 1 1 d . . . . .
C39 C 0.9569(11) 0.2135(16) 0.1784(8) 0.059(8) Uani 1 1 d . . . . .
C40 C 0.6489(17) 0.358(3) 0.0282(14) 0.051(14) Uiso 0.5 1 d . . P . .
C41 C 0.609(2) 0.392(3) -0.0412(16) 0.066(16) Uiso 0.5 1 d . . P . .
C43 C 0.6092(15) -0.043(3) 0.1790(13) 0.037(12) Uiso 0.5 1 d . . P . .
C44 C 0.5719(10) 0.048(2) 0.1273(10) 0.097(12) Uani 1 1 d . . . . .
C45 C 0.6029(9) -0.0847(16) 0.1143(8) 0.059(8) Uiso 1 1 d . . . . .
C46 C 0.6571(10) 0.0261(17) 0.1462(8) 0.075(9) Uiso 1 1 d . . . . .
C47 C 0.9997(9) 0.4129(17) 0.0262(7) 0.067(9) Uani 1 1 d . . . . .
C48 C 0.9132(10) 0.3789(17) 0.0071(8) 0.072(9) Uiso 1 1 d . . . . .
C49 C 0.9474(9) 0.3806(14) -0.0394(7) 0.044(7) Uiso 1 1 d . . . . .
C50 C 0.6961(15) 0.421(2) -0.0033(13) 0.029(11) Uiso 0.5 1 d . . P . .
C51 C 0.720(2) -0.390(4) 0.1383(17) 0.016(16) Uiso 0.3 1 d . . P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mo Mo -1.6832 0.6857 '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'
K K 0.2009 0.2494 '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'
N N 0.0061 0.0033 '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'
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
O1 Mo1 O3 100.2(6) . .
O1 Mo1 O2 99.2(6) . .
O3 Mo1 O2 69.3(5) . .
O1 Mo1 O4 167.3(6) . .
O3 Mo1 O4 69.9(5) . .
O2 Mo1 O4 70.2(5) . .
O1 Mo1 S15 103.1(5) . .
O3 Mo1 S15 88.5(4) . .
O2 Mo1 S15 150.9(4) . .
O4 Mo1 S15 85.0(4) . .
O1 Mo1 S7 103.7(5) . .
O3 Mo1 S7 150.6(4) . .
O2 Mo1 S7 90.0(4) . .
O4 Mo1 S7 83.8(3) . .
S15 Mo1 S7 102.4(2) . .
O1 Mo1 Mo10 101.4(5) . .
O3 Mo1 Mo10 138.2(4) . .
O2 Mo1 Mo10 140.1(4) . .
O4 Mo1 Mo10 91.3(4) . .
S15 Mo1 Mo10 51.83(15) . .
S7 Mo1 Mo10 52.07(14) . .
O1 Mo1 K3 40.4(5) . .
O3 Mo1 K3 140.4(4) . .
O2 Mo1 K3 107.2(4) . .
O4 Mo1 K3 148.2(3) . .
S15 Mo1 K3 101.88(16) . .
S7 Mo1 K3 64.40(16) . .
Mo10 Mo1 K3 70.29(9) . .
O16 Mo2 O15 96.8(6) . .
O16 Mo2 O18 97.1(6) . .
O15 Mo2 O18 75.0(5) . .
O16 Mo2 S11 101.9(5) . .
O15 Mo2 S11 155.4(4) . .
O18 Mo2 S11 86.9(4) . .
O16 Mo2 S1 102.3(5) . .
O15 Mo2 S1 89.0(4) . .
O18 Mo2 S1 156.2(4) . .
S11 Mo2 S1 102.3(2) . .
O16 Mo2 O17 166.2(6) . .
O15 Mo2 O17 72.5(5) . .
O18 Mo2 O17 72.1(5) . .
S11 Mo2 O17 86.4(3) . .
S1 Mo2 O17 86.4(3) . .
O16 Mo2 Mo13 97.6(5) . .
O15 Mo2 Mo13 140.7(3) . .
O18 Mo2 Mo13 138.5(4) . .
S11 Mo2 Mo13 52.07(14) . .
S1 Mo2 Mo13 52.21(15) . .
O17 Mo2 Mo13 96.2(3) . .
O16 Mo2 K1 37.4(5) . .
O15 Mo2 K1 133.9(4) . .
O18 Mo2 K1 101.3(3) . .
S11 Mo2 K1 65.24(16) . .
S1 Mo2 K1 102.48(16) . .
O17 Mo2 K1 151.4(3) . .
Mo13 Mo2 K1 69.86(8) . .
O47 Mo3 O49 98.0(6) . .
O47 Mo3 O50 94.6(5) . .
O49 Mo3 O50 77.1(5) . .
O47 Mo3 S5 102.9(5) . .
O49 Mo3 S5 154.7(4) . .
O50 Mo3 S5 87.2(4) . .
O47 Mo3 S3 102.2(5) . .
O49 Mo3 S3 87.6(4) . .
O50 Mo3 S3 158.7(4) . .
S5 Mo3 S3 101.5(2) . .
O47 Mo3 O48 164.6(5) . .
O49 Mo3 O48 71.8(5) . .
O50 Mo3 O48 72.2(4) . .
S5 Mo3 O48 84.7(4) . .
S3 Mo3 O48 89.1(3) . .
O47 Mo3 Mo8 97.7(4) . .
O49 Mo3 Mo8 139.0(4) . .
O50 Mo3 Mo8 138.7(3) . .
S5 Mo3 Mo8 51.65(14) . .
S3 Mo3 Mo8 52.04(15) . .
O48 Mo3 Mo8 97.5(3) . .
O47 Mo3 K1 36.9(4) . 1_565
O49 Mo3 K1 134.8(4) . 1_565
O50 Mo3 K1 99.3(3) . 1_565
S5 Mo3 K1 66.70(16) . 1_565
S3 Mo3 K1 101.93(16) . 1_565
O48 Mo3 K1 150.8(3) . 1_565
Mo8 Mo3 K1 69.96(8) . 1_565
O47 Mo3 K5 119.5(5) . .
O49 Mo3 K5 40.2(4) . .
O50 Mo3 K5 46.2(3) . .
S5 Mo3 K5 115.41(18) . .
S3 Mo3 K5 113.04(17) . .
O48 Mo3 K5 45.5(3) . .
Mo8 Mo3 K5 142.85(12) . .
K1 Mo3 K5 142.94(12) 1_565 .
O35 Mo4 O34 97.6(6) . .
O35 Mo4 O33 94.6(6) . .
O34 Mo4 O33 75.8(5) . .
O35 Mo4 S6 102.0(5) . .
O34 Mo4 S6 155.0(4) . .
O33 Mo4 S6 87.2(3) . .
O35 Mo4 S2 101.5(5) . .
O34 Mo4 S2 88.5(4) . .
O33 Mo4 S2 158.9(4) . .
S6 Mo4 S2 102.5(2) . .
O35 Mo4 O36 164.5(5) . .
O34 Mo4 O36 71.3(5) . .
O33 Mo4 O36 72.5(4) . .
S6 Mo4 O36 86.2(3) . .
S2 Mo4 O36 89.3(3) . .
O35 Mo4 Mo7 98.0(4) . .
O34 Mo4 Mo7 140.0(4) . .
O33 Mo4 Mo7 138.8(3) . .
S6 Mo4 Mo7 51.86(15) . .
S2 Mo4 Mo7 52.36(15) . .
O36 Mo4 Mo7 97.4(3) . .
O35 Mo4 K9 46.2(5) . .
O34 Mo4 K9 92.9(4) . .
O33 Mo4 K9 138.0(4) . .
S6 Mo4 K9 112.0(2) . .
S2 Mo4 K9 55.4(2) . .
O36 Mo4 K9 142.3(3) . .
Mo7 Mo4 K9 72.58(15) . .
O35 Mo4 K9 30.8(5) . 3_755
O34 Mo4 K9 67.7(4) . 3_755
O33 Mo4 K9 94.1(4) . 3_755
S6 Mo4 K9 132.8(2) . 3_755
S2 Mo4 K9 92.9(2) . 3_755
O36 Mo4 K9 138.9(3) . 3_755
Mo7 Mo4 K9 116.06(15) . 3_755
K9 Mo4 K9 45.2(3) . 3_755
O35 Mo4 K7 40.2(5) . .
O34 Mo4 K7 137.6(4) . .
O33 Mo4 K7 99.4(3) . .
S6 Mo4 K7 62.62(17) . .
S2 Mo4 K7 101.69(18) . .
O36 Mo4 K7 148.4(3) . .
Mo7 Mo4 K7 68.15(11) . .
K9 Mo4 K7 62.32(18) . .
K9 Mo4 K7 70.73(16) 3_755 .
O29 Mo5 O32 98.9(6) . .
O29 Mo5 O31 93.6(6) . .
O32 Mo5 O31 76.0(5) . .
O29 Mo5 S16 102.4(5) . .
O32 Mo5 S16 86.9(4) . .
O31 Mo5 S16 158.2(4) . .
O29 Mo5 S4 101.8(5) . .
O32 Mo5 S4 154.8(4) . .
O31 Mo5 S4 88.5(4) . .
S16 Mo5 S4 102.3(2) . .
O29 Mo5 O30 165.5(5) . .
O32 Mo5 O30 72.0(5) . .
O31 Mo5 O30 73.4(5) . .
S16 Mo5 O30 88.7(3) . .
S4 Mo5 O30 84.7(3) . .
O29 Mo5 Mo9 97.5(5) . .
O32 Mo5 Mo9 138.3(4) . .
O31 Mo5 Mo9 140.5(4) . .
S16 Mo5 Mo9 52.16(15) . .
S4 Mo5 Mo9 52.15(14) . .
O30 Mo5 Mo9 96.7(3) . .
O10 Mo6 O8 102.2(6) . .
O10 Mo6 O7 100.3(6) . .
O8 Mo6 O7 69.7(6) . .
O10 Mo6 O9 170.5(6) . .
O8 Mo6 O9 70.8(5) . .
O7 Mo6 O9 71.5(5) . .
O10 Mo6 S10 101.8(5) . .
O8 Mo6 S10 150.4(4) . .
O7 Mo6 S10 89.2(4) . .
O9 Mo6 S10 83.2(4) . .
O10 Mo6 S9 103.0(5) . .
O8 Mo6 S9 88.7(4) . .
O7 Mo6 S9 151.1(4) . .
O9 Mo6 S9 83.6(4) . .
S10 Mo6 S9 102.5(2) . .
O10 Mo6 Mo11 97.9(5) . .
O8 Mo6 Mo11 139.6(4) . .
O7 Mo6 Mo11 139.9(4) . .
O9 Mo6 Mo11 91.6(3) . .
S10 Mo6 Mo11 52.08(16) . .
S9 Mo6 Mo11 52.44(15) . .
O10 Mo6 K8 40.2(5) . 3_655
O8 Mo6 K8 103.1(4) . 3_655
O7 Mo6 K8 139.2(4) . 3_655
O9 Mo6 K8 146.2(4) . 3_655
S10 Mo6 K8 106.36(18) . 3_655
S9 Mo6 K8 62.84(17) . 3_655
Mo11 Mo6 K8 71.44(9) . 3_655
O10 Mo6 K8 40.9(5) . .
O8 Mo6 K8 137.1(4) . .
O7 Mo6 K8 92.8(4) . .
O9 Mo6 K8 141.8(3) . .
S10 Mo6 K8 61.45(16) . .
S9 Mo6 K8 116.01(18) . .
Mo11 Mo6 K8 78.29(10) . .
K8 Mo6 K8 64.57(15) 3_655 .
O37 Mo7 O39 97.8(6) . .
O37 Mo7 O40 103.0(6) . .
O39 Mo7 O40 70.3(5) . .
O37 Mo7 O38 167.3(6) . .
O39 Mo7 O38 70.6(5) . .
O40 Mo7 O38 68.5(5) . .
O37 Mo7 S6 102.2(5) . .
O39 Mo7 S6 153.3(4) . .
O40 Mo7 S6 88.0(4) . .
O38 Mo7 S6 87.3(4) . .
O37 Mo7 S2 104.3(5) . .
O39 Mo7 S2 89.5(4) . .
O40 Mo7 S2 147.9(4) . .
O38 Mo7 S2 81.5(4) . .
S6 Mo7 S2 102.3(2) . .
O37 Mo7 Mo4 100.5(4) . .
O39 Mo7 Mo4 140.4(4) . .
O40 Mo7 Mo4 137.1(4) . .
O38 Mo7 Mo4 92.1(3) . .
S6 Mo7 Mo4 51.94(14) . .
S2 Mo7 Mo4 52.02(14) . .
O37 Mo7 K7 38.9(5) . .
O39 Mo7 K7 136.5(4) . .
O40 Mo7 K7 108.2(4) . .
O38 Mo7 K7 151.5(4) . .
S6 Mo7 K7 64.19(17) . .
S2 Mo7 K7 103.62(18) . .
Mo4 Mo7 K7 70.99(10) . .
O37 Mo7 K9 52.6(5) . .
O39 Mo7 K9 99.5(4) . .
O40 Mo7 K9 153.2(4) . .
O38 Mo7 K9 132.9(4) . .
S6 Mo7 K9 106.6(2) . .
S2 Mo7 K9 51.88(19) . .
Mo4 Mo7 K9 66.07(15) . .
K7 Mo7 K9 61.53(17) . .
O46 Mo8 O44 100.6(6) . .
O46 Mo8 O43 100.8(6) . .
O44 Mo8 O43 68.2(5) . .
O46 Mo8 O45 169.4(6) . .
O44 Mo8 O45 71.0(5) . .
O43 Mo8 O45 70.3(5) . .
O46 Mo8 S5 102.7(5) . .
O44 Mo8 S5 89.8(4) . .
O43 Mo8 S5 150.3(4) . .
O45 Mo8 S5 84.1(4) . .
O46 Mo8 S3 103.5(5) . .
O44 Mo8 S3 150.4(4) . .
O43 Mo8 S3 90.3(4) . .
O45 Mo8 S3 82.9(4) . .
S5 Mo8 S3 101.5(2) . .
O46 Mo8 Mo3 98.5(4) . .
O44 Mo8 Mo3 140.0(4) . .
O43 Mo8 Mo3 140.8(4) . .
O45 Mo8 Mo3 92.1(4) . .
S5 Mo8 Mo3 51.69(15) . .
S3 Mo8 Mo3 51.97(14) . .
O46 Mo8 K1 38.0(4) . 1_565
O44 Mo8 K1 108.7(4) . 1_565
O43 Mo8 K1 138.7(4) . 1_565
O45 Mo8 K1 150.0(3) . 1_565
S5 Mo8 K1 65.93(16) . 1_565
S3 Mo8 K1 100.85(16) . 1_565
Mo3 Mo8 K1 68.58(8) . 1_565
O28 Mo9 O26 100.1(6) . .
O28 Mo9 O25 99.2(6) . .
O26 Mo9 O25 68.9(5) . .
O28 Mo9 O27 167.5(6) . .
O26 Mo9 O27 70.4(5) . .
O25 Mo9 O27 70.2(5) . .
O28 Mo9 S16 104.3(5) . .
O26 Mo9 S16 88.6(4) . .
O25 Mo9 S16 150.0(4) . .
O27 Mo9 S16 84.0(4) . .
O28 Mo9 S4 102.7(5) . .
O26 Mo9 S4 151.5(4) . .
O25 Mo9 S4 90.7(4) . .
O27 Mo9 S4 84.4(3) . .
S16 Mo9 S4 102.0(2) . .
O28 Mo9 Mo5 99.8(5) . .
O26 Mo9 Mo5 139.1(4) . .
O25 Mo9 Mo5 141.1(3) . .
O27 Mo9 Mo5 92.7(3) . .
S16 Mo9 Mo5 51.86(14) . .
S4 Mo9 Mo5 52.13(14) . .
O28 Mo9 K2 40.6(5) . .
O26 Mo9 K2 138.8(4) . .
O25 Mo9 K2 100.3(4) . .
O27 Mo9 K2 145.4(3) . .
S16 Mo9 K2 109.66(17) . .
S4 Mo9 K2 62.06(15) . .
Mo5 Mo9 K2 73.89(9) . .
O51 Mo10 O52 95.0(6) . .
O51 Mo10 O53 92.0(6) . .
O52 Mo10 O53 78.1(5) . .
O51 Mo10 S15 103.0(5) . .
O52 Mo10 S15 86.1(4) . .
O53 Mo10 S15 159.1(4) . .
O51 Mo10 S7 101.8(5) . .
O52 Mo10 S7 158.3(4) . .
O53 Mo10 S7 87.6(4) . .
S15 Mo10 S7 103.1(2) . .
O51 Mo10 O54 161.0(6) . .
O52 Mo10 O54 72.4(5) . .
O53 Mo10 O54 71.8(5) . .
S15 Mo10 O54 90.6(3) . .
S7 Mo10 O54 87.6(3) . .
O51 Mo10 Mo1 99.8(5) . .
O52 Mo10 Mo1 137.9(4) . .
O53 Mo10 Mo1 139.7(3) . .
S15 Mo10 Mo1 52.19(15) . .
S7 Mo10 Mo1 52.41(15) . .
O54 Mo10 Mo1 99.0(3) . .
O51 Mo10 K3 40.1(4) . .
O52 Mo10 K3 135.1(4) . .
O53 Mo10 K3 100.4(4) . .
S15 Mo10 K3 100.47(17) . .
S7 Mo10 K3 63.25(16) . .
O54 Mo10 K3 150.5(3) . .
Mo1 Mo10 K3 68.10(9) . .
O11 Mo11 O13 94.4(6) . .
O11 Mo11 O14 95.8(6) . .
O13 Mo11 O14 78.1(5) . .
O11 Mo11 S10 102.5(5) . .
O13 Mo11 S10 86.1(4) . .
O14 Mo11 S10 156.7(4) . .
O11 Mo11 S9 101.6(5) . .
O13 Mo11 S9 159.6(4) . .
O14 Mo11 S9 87.6(4) . .
S10 Mo11 S9 102.6(2) . .
O11 Mo11 O12 164.2(6) . .
O13 Mo11 O12 73.8(5) . .
O14 Mo11 O12 71.9(5) . .
S10 Mo11 O12 87.3(3) . .
S9 Mo11 O12 88.1(3) . .
O11 Mo11 Mo6 97.3(5) . .
O13 Mo11 Mo6 138.4(4) . .
O14 Mo11 Mo6 139.5(4) . .
S10 Mo11 Mo6 52.37(15) . .
S9 Mo11 Mo6 52.28(16) . .
O12 Mo11 Mo6 98.5(3) . .
O11 Mo11 K8 42.0(5) . 3_655
O13 Mo11 K8 136.3(4) . 3_655
O14 Mo11 K8 100.4(4) . 3_655
S10 Mo11 K8 102.87(17) . 3_655
S9 Mo11 K8 60.28(17) . 3_655
O12 Mo11 K8 148.1(3) . 3_655
Mo6 Mo11 K8 66.70(10) . 3_655
O23 Mo12 O20 100.1(6) . .
O23 Mo12 O21 99.9(6) . .
O20 Mo12 O21 69.4(5) . .
O23 Mo12 S12 103.8(5) . .
O20 Mo12 S12 89.0(4) . .
O21 Mo12 S12 150.4(4) . .
O23 Mo12 S13 103.5(5) . .
O20 Mo12 S13 150.5(4) . .
O21 Mo12 S13 89.2(4) . .
S12 Mo12 S13 102.1(2) . .
O23 Mo12 O22 165.8(6) . .
O20 Mo12 O22 68.6(5) . .
O21 Mo12 O22 68.4(5) . .
S12 Mo12 O22 85.3(3) . .
S13 Mo12 O22 85.0(3) . .
O23 Mo12 Mo15 102.5(5) . .
O20 Mo12 Mo15 138.1(4) . .
O21 Mo12 Mo15 138.6(4) . .
S12 Mo12 Mo15 51.52(16) . .
S13 Mo12 Mo15 51.87(14) . .
O22 Mo12 Mo15 91.7(3) . .
O19 Mo13 O21 99.3(6) . .
O19 Mo13 O20 98.7(6) . .
O21 Mo13 O20 69.6(5) . .
O19 Mo13 O22 167.0(6) . .
O21 Mo13 O22 70.4(5) . .
O20 Mo13 O22 70.5(5) . .
O19 Mo13 S11 103.3(5) . .
O21 Mo13 S11 89.2(4) . .
O20 Mo13 S11 151.6(4) . .
O22 Mo13 S11 84.9(4) . .
O19 Mo13 S1 104.1(5) . .
O21 Mo13 S1 150.8(4) . .
O20 Mo13 S1 89.6(4) . .
O22 Mo13 S1 83.6(4) . .
S11 Mo13 S1 102.0(2) . .
O19 Mo13 Mo2 100.3(5) . .
O21 Mo13 Mo2 139.5(4) . .
O20 Mo13 Mo2 140.3(4) . .
O22 Mo13 Mo2 92.7(3) . .
S11 Mo13 Mo2 51.90(15) . .
S1 Mo13 Mo2 52.06(14) . .
O19 Mo13 K1 40.3(5) . .
O21 Mo13 K1 107.9(4) . .
O20 Mo13 K1 139.0(4) . .
O22 Mo13 K1 149.3(3) . .
S11 Mo13 K1 64.43(16) . .
S1 Mo13 K1 101.30(16) . .
Mo2 Mo13 K1 68.41(8) . .
O42 Mo14 O44 99.1(6) . .
O42 Mo14 O43 101.3(6) . .
O44 Mo14 O43 68.1(5) . .
O42 Mo14 S17 102.7(6) . .
O44 Mo14 S17 89.6(4) . .
O43 Mo14 S17 149.5(4) . .
O42 Mo14 S8 102.0(5) . .
O44 Mo14 S8 152.5(4) . .
O43 Mo14 S8 90.5(4) . .
S17 Mo14 S8 102.7(2) . .
O42 Mo14 O45 166.3(6) . .
O44 Mo14 O45 69.1(5) . .
O43 Mo14 O45 68.5(5) . .
S17 Mo14 O45 84.5(4) . .
S8 Mo14 O45 87.5(4) . .
O42 Mo14 Mo16 102.1(5) . .
O44 Mo14 Mo16 139.1(4) . .
O43 Mo14 Mo16 138.9(4) . .
S17 Mo14 Mo16 51.82(15) . .
S8 Mo14 Mo16 51.73(17) . .
O45 Mo14 Mo16 91.5(3) . .
O42 Mo14 K4 45.0(5) . 2_765
O44 Mo14 K4 55.1(4) . 2_765
O43 Mo14 K4 91.5(4) . 2_765
S17 Mo14 K4 92.29(17) . 2_765
S8 Mo14 K4 146.46(17) . 2_765
O45 Mo14 K4 124.1(3) . 2_765
Mo16 Mo14 K4 128.59(11) . 2_765
O24 Mo15 O26 99.9(6) . .
O24 Mo15 O25 98.9(6) . .
O26 Mo15 O25 69.0(5) . .
O24 Mo15 S12 102.5(5) . .
O26 Mo15 S12 89.2(4) . .
O25 Mo15 S12 151.8(4) . .
O24 Mo15 O27 165.5(6) . .
O26 Mo15 O27 69.1(5) . .
O25 Mo15 O27 68.8(5) . .
S12 Mo15 O27 87.1(4) . .
O24 Mo15 S13 103.1(5) . .
O26 Mo15 S13 151.1(4) . .
O25 Mo15 S13 90.2(4) . .
S12 Mo15 S13 102.6(2) . .
O27 Mo15 S13 85.1(3) . .
O24 Mo15 Mo12 101.1(5) . .
O26 Mo15 Mo12 138.9(4) . .
O25 Mo15 Mo12 140.4(3) . .
S12 Mo15 Mo12 51.82(15) . .
O27 Mo15 Mo12 93.4(3) . .
S13 Mo15 Mo12 52.01(15) . .
O41 Mo16 O39 98.9(6) . .
O41 Mo16 O40 97.2(6) . .
O39 Mo16 O40 69.2(5) . .
O41 Mo16 O38 162.7(6) . .
O39 Mo16 O38 69.6(5) . .
O40 Mo16 O38 67.0(5) . .
O41 Mo16 S17 102.9(5) . .
O39 Mo16 S17 152.4(4) . .
O40 Mo16 S17 91.4(4) . .
O38 Mo16 S17 85.1(4) . .
O41 Mo16 S8 103.0(5) . .
O39 Mo16 S8 88.9(4) . .
O40 Mo16 S8 152.3(4) . .
O38 Mo16 S8 90.0(4) . .
S17 Mo16 S8 102.2(2) . .
O41 Mo16 Mo14 103.1(5) . .
O39 Mo16 Mo14 138.2(4) . .
O40 Mo16 Mo14 140.5(4) . .
O38 Mo16 Mo14 93.9(4) . .
S17 Mo16 Mo14 51.32(17) . .
S8 Mo16 Mo14 51.77(15) . .
O41 Mo16 K2 34.0(5) . 2_755
O39 Mo16 K2 132.6(4) . 2_755
O40 Mo16 K2 110.3(4) . 2_755
O38 Mo16 K2 156.5(3) . 2_755
S17 Mo16 K2 71.58(16) . 2_755
S8 Mo16 K2 96.90(16) . 2_755
Mo14 Mo16 K2 73.47(9) . 2_755
O5 Mo17 O3 99.7(7) . .
O5 Mo17 O2 100.6(6) . .
O3 Mo17 O2 69.1(5) . .
O5 Mo17 S18 102.7(6) . .
O3 Mo17 S18 150.5(4) . .
O2 Mo17 S18 87.9(4) . .
O5 Mo17 S14 103.3(6) . .
O3 Mo17 S14 90.7(4) . .
O2 Mo17 S14 151.0(4) . .
S18 Mo17 S14 102.5(2) . .
O5 Mo17 O4 165.8(6) . .
O3 Mo17 O4 68.2(5) . .
O2 Mo17 O4 68.6(5) . .
S18 Mo17 O4 86.5(4) . .
S14 Mo17 O4 85.0(4) . .
O5 Mo17 Mo18 101.1(5) . .
O3 Mo17 Mo18 140.7(4) . .
O2 Mo17 Mo18 137.5(4) . .
S18 Mo17 Mo18 51.78(16) . .
S14 Mo17 Mo18 52.13(16) . .
O4 Mo17 Mo18 93.2(3) . .
O6 Mo18 O8 99.6(6) . .
O6 Mo18 O7 101.2(7) . .
O8 Mo18 O7 69.4(6) . .
O6 Mo18 S18 103.8(6) . .
O8 Mo18 S18 150.0(4) . .
O7 Mo18 S18 87.7(4) . .
O6 Mo18 S14 102.1(6) . .
O8 Mo18 S14 90.3(4) . .
O7 Mo18 S14 151.3(4) . .
S18 Mo18 S14 102.7(2) . .
O6 Mo18 O9 166.7(6) . .
O8 Mo18 O9 68.5(5) . .
O7 Mo18 O9 69.4(5) . .
S18 Mo18 O9 85.7(4) . .
S14 Mo18 O9 84.6(4) . .
O6 Mo18 Mo17 101.0(5) . .
O8 Mo18 Mo17 140.1(4) . .
O7 Mo18 Mo17 137.5(4) . .
S18 Mo18 Mo17 51.97(16) . .
S14 Mo18 Mo17 52.14(16) . .
O9 Mo18 Mo17 92.2(3) . .
Mo2 S1 Mo13 75.74(17) . .
Mo4 S2 Mo7 75.62(19) . .
Mo4 S2 K9 88.6(3) . .
Mo7 S2 K9 93.7(3) . .
Mo3 S3 Mo8 75.99(18) . .
Mo5 S4 Mo9 75.71(17) . .
Mo5 S4 K2 88.75(18) . .
Mo9 S4 K2 81.65(17) . .
Mo8 S5 Mo3 76.67(18) . .
Mo8 S5 K1 80.05(17) . 1_565
Mo3 S5 K1 79.04(18) . 1_565
Mo7 S6 Mo4 76.20(19) . .
Mo7 S6 K7 81.4(2) . .
Mo4 S6 K7 83.5(2) . .
Mo10 S7 Mo1 75.52(18) . .
Mo10 S7 K3 82.06(18) . .
Mo1 S7 K3 80.33(18) . .
Mo16 S8 Mo14 76.5(2) . .
Mo6 S9 Mo11 75.28(19) . .
Mo6 S9 K8 81.20(19) . 3_655
Mo11 S9 K8 84.66(19) . 3_655
Mo11 S10 Mo6 75.55(19) . .
Mo11 S10 K8 95.4(2) . .
Mo6 S10 K8 82.68(18) . .
Mo2 S11 Mo13 76.03(17) . .
Mo2 S11 K1 79.91(17) . .
Mo13 S11 K1 80.89(17) . .
Mo15 S12 Mo12 76.66(18) . .
Mo15 S13 Mo12 76.12(18) . .
Mo15 S13 K7 122.5(2) . 2_755
Mo12 S13 K7 98.0(2) . 2_755
Mo18 S14 Mo17 75.7(2) . .
Mo10 S15 Mo1 75.98(19) . .
Mo5 S16 Mo9 75.98(18) . .
Mo14 S17 Mo16 76.9(2) . .
Mo18 S18 Mo17 76.3(2) . .
O60 K1 O66 173.9(6) . 1_545
O60 K1 O82 110.7(6) . .
O66 K1 O82 73.2(6) 1_545 .
O60 K1 O16 67.6(4) . .
O66 K1 O16 112.3(5) 1_545 .
O82 K1 O16 144.6(5) . .
O60 K1 O47 105.1(6) . 1_545
O66 K1 O47 69.2(4) 1_545 1_545
O82 K1 O47 133.9(5) . 1_545
O16 K1 O47 76.1(4) . 1_545
O60 K1 O46 65.0(5) . 1_545
O66 K1 O46 110.1(4) 1_545 1_545
O82 K1 O46 99.4(5) . 1_545
O16 K1 O46 110.2(4) . 1_545
O47 K1 O46 70.5(4) 1_545 1_545
O60 K1 O19 116.5(5) . .
O66 K1 O19 68.5(4) 1_545 .
O82 K1 O19 79.4(5) . .
O16 K1 O19 71.3(4) . .
O47 K1 O19 109.5(4) 1_545 .
O46 K1 O19 178.4(4) 1_545 .
O60 K1 S11 61.2(4) . .
O66 K1 S11 124.1(3) 1_545 .
O82 K1 S11 91.6(5) . .
O16 K1 S11 55.6(3) . .
O47 K1 S11 131.6(3) 1_545 .
O46 K1 S11 125.5(3) 1_545 .
O19 K1 S11 55.8(3) . .
O60 K1 S5 119.1(4) . 1_545
O66 K1 S5 56.0(3) 1_545 1_545
O82 K1 S5 82.2(5) . 1_545
O16 K1 S5 130.9(3) . 1_545
O47 K1 S5 54.9(3) 1_545 1_545
O46 K1 S5 54.1(3) 1_545 1_545
O19 K1 S5 124.4(3) . 1_545
S11 K1 S5 173.45(19) . 1_545
O60 K1 Mo2 64.8(3) . .
O66 K1 Mo2 117.4(4) 1_545 .
O82 K1 Mo2 124.2(5) . .
O16 K1 Mo2 21.0(3) . .
O47 K1 Mo2 96.8(3) 1_545 .
O46 K1 Mo2 122.0(3) 1_545 .
O19 K1 Mo2 59.6(3) . .
S11 K1 Mo2 34.85(10) . .
S5 K1 Mo2 151.70(16) 1_545 .
O60 K1 Mo13 94.7(4) . .
O66 K1 Mo13 90.1(3) 1_545 .
O82 K1 Mo13 87.6(4) . .
O16 K1 Mo13 58.2(3) . .
O47 K1 Mo13 117.7(3) 1_545 .
O46 K1 Mo13 159.7(3) 1_545 .
O19 K1 Mo13 21.7(2) . .
S11 K1 Mo13 34.68(9) . .
S5 K1 Mo13 146.12(15) 1_545 .
Mo2 K1 Mo13 41.73(6) . .
O60 K1 Mo3 110.2(5) . 1_545
O66 K1 Mo3 63.8(3) 1_545 1_545
O82 K1 Mo3 115.6(5) . 1_545
O16 K1 Mo3 96.7(3) . 1_545
O47 K1 Mo3 21.0(3) 1_545 1_545
O46 K1 Mo3 58.4(3) 1_545 1_545
O19 K1 Mo3 121.0(3) . 1_545
S11 K1 Mo3 152.25(16) . 1_545
S5 K1 Mo3 34.26(10) 1_545 1_545
Mo2 K1 Mo3 117.57(12) . 1_545
Mo13 K1 Mo3 134.94(12) . 1_545
O65 K2 O80 87.6(5) . .
O65 K2 O41 116.6(4) . 2_755
O80 K2 O41 153.2(5) . 2_755
O65 K2 O28 120.4(4) . .
O80 K2 O28 111.0(5) . .
O41 K2 O28 68.1(4) 2_755 .
O65 K2 O117 157.8(10) . .
O80 K2 O117 70.3(11) . .
O41 K2 O117 85.0(10) 2_755 .
O28 K2 O117 70.9(10) . .
O65 K2 O86 131.9(6) . 4_566
O80 K2 O86 88.8(6) . 4_566
O41 K2 O86 66.8(5) 2_755 4_566
O28 K2 O86 105.5(5) . 4_566
O117 K2 O86 49.4(11) . 4_566
O65 K2 O42 74.5(4) . 2_755
O80 K2 O42 102.6(5) . 2_755
O41 K2 O42 75.1(4) 2_755 2_755
O28 K2 O42 143.1(4) . 2_755
O117 K2 O42 108.5(10) . 2_755
O86 K2 O42 59.7(5) 4_566 2_755
O65 K2 O29 62.3(4) . .
O80 K2 O29 77.5(5) . .
O41 K2 O29 122.8(4) 2_755 .
O28 K2 O29 67.5(4) . .
O117 K2 O29 111.8(10) . .
O86 K2 O29 160.3(5) 4_566 .
O42 K2 O29 136.8(4) 2_755 .
O65 K2 S4 67.3(3) . .
O80 K2 S4 133.2(4) . .
O41 K2 S4 70.8(3) 2_755 .
O28 K2 S4 58.8(3) . .
O117 K2 S4 129.2(10) . .
O86 K2 S4 137.5(5) 4_566 .
O42 K2 S4 107.3(3) 2_755 .
O29 K2 S4 56.0(3) . .
O65 K2 Mo9 99.9(3) . .
O80 K2 Mo9 123.1(4) . .
O41 K2 Mo9 66.8(3) 2_755 .
O28 K2 Mo9 22.6(3) . .
O117 K2 Mo9 93.4(10) . .
O86 K2 Mo9 121.6(5) 4_566 .
O42 K2 Mo9 133.9(3) 2_755 .
O29 K2 Mo9 58.3(2) . .
S4 K2 Mo9 36.29(10) . .
O65 K2 Mo16 98.9(3) . 2_755
O80 K2 Mo16 157.8(4) . 2_755
O41 K2 Mo16 19.8(3) 2_755 2_755
O28 K2 Mo16 84.1(3) . 2_755
O117 K2 Mo16 101.4(10) . 2_755
O86 K2 Mo16 71.1(5) 4_566 2_755
O42 K2 Mo16 59.5(3) 2_755 2_755
O29 K2 Mo16 124.3(3) . 2_755
S4 K2 Mo16 68.27(13) . 2_755
Mo9 K2 Mo16 76.94(10) . 2_755
O65 K2 K4 40.7(3) . 1_565
O80 K2 K4 80.6(4) . 1_565
O41 K2 K4 109.6(3) 2_755 1_565
O28 K2 K4 159.3(3) . 1_565
O117 K2 K4 129.8(10) . 1_565
O86 K2 K4 91.4(5) 4_566 1_565
O42 K2 K4 39.7(3) 2_755 1_565
O29 K2 K4 100.0(3) . 1_565
S4 K2 K4 100.56(15) . 1_565
Mo9 K2 K4 136.75(14) . 1_565
Mo16 K2 K4 90.48(12) 2_755 1_565
O61 K3 O71 148.1(5) . .
O61 K3 O85 79.8(6) . .
O71 K3 O85 80.4(6) . .
O61 K3 O1 120.2(4) . .
O71 K3 O1 78.7(4) . .
O85 K3 O1 158.9(6) . .
O61 K3 O51 64.7(4) . .
O71 K3 O51 146.4(4) . .
O85 K3 O51 126.2(6) . .
O1 K3 O51 72.5(4) . .
O61 K3 O23 77.6(4) . 4
O71 K3 O23 75.0(4) . 4
O85 K3 O23 81.8(6) . 4
O1 K3 O23 95.5(4) . 4
O51 K3 O23 124.1(4) . 4
O61 K3 O42 121.1(4) . 3_765
O71 K3 O42 70.8(4) . 3_765
O85 K3 O42 64.4(5) . 3_765
O1 K3 O42 105.6(4) . 3_765
O51 K3 O42 100.4(4) . 3_765
O23 K3 O42 134.9(4) 4 3_765
O61 K3 O86 121.4(6) . .
O71 K3 O86 90.3(5) . .
O85 K3 O86 120.7(6) . .
O1 K3 O86 56.9(5) . .
O51 K3 O86 59.5(5) . .
O23 K3 O86 151.2(5) 4 .
O42 K3 O86 57.3(5) 3_765 .
O61 K3 S7 64.8(3) . .
O71 K3 S7 120.1(3) . .
O85 K3 S7 139.3(5) . .
O1 K3 S7 56.9(3) . .
O51 K3 S7 55.5(3) . .
O23 K3 S7 72.0(3) 4 .
O42 K3 S7 152.1(3) 3_765 .
O86 K3 S7 95.6(4) . .
O61 K3 Mo1 98.2(3) . .
O71 K3 Mo1 97.5(3) . .
O85 K3 Mo1 171.0(5) . .
O1 K3 Mo1 22.1(3) . .
O51 K3 Mo1 59.3(3) . .
O23 K3 Mo1 89.3(3) 4 .
O42 K3 Mo1 123.3(3) 3_765 .
O86 K3 Mo1 67.9(4) . .
S7 K3 Mo1 35.27(10) . .
O61 K3 Mo10 65.7(3) . .
O71 K3 Mo10 138.2(3) . .
O85 K3 Mo10 141.3(5) . .
O1 K3 Mo10 59.5(3) . .
O51 K3 Mo10 21.5(3) . .
O23 K3 Mo10 105.9(3) 4 .
O42 K3 Mo10 119.2(3) 3_765 .
O86 K3 Mo10 68.9(4) . .
S7 K3 Mo10 34.69(10) . .
Mo1 K3 Mo10 41.61(6) . .
O61 K3 K4 124.2(3) . 4
O71 K3 K4 42.1(3) . 4
O85 K3 K4 44.4(5) . 4
O1 K3 K4 115.2(3) . 4
O51 K3 K4 143.0(3) . 4
O23 K3 K4 92.1(3) 4 4
O42 K3 K4 42.9(3) 3_765 4
O86 K3 K4 93.2(4) . 4
S7 K3 K4 160.24(18) . 4
Mo1 K3 K4 136.82(15) . 4
Mo10 K3 K4 161.48(16) . 4
O71 K4 O66 121.8(5) 4_556 1_545
O71 K4 O42 75.2(4) 4_556 2_745
O66 K4 O42 132.2(5) 1_545 2_745
O71 K4 O19 76.8(4) 4_556 .
O66 K4 O19 68.6(4) 1_545 .
O42 K4 O19 151.5(4) 2_745 .
O71 K4 O85 78.3(5) 4_556 4_556
O66 K4 O85 152.5(6) 1_545 4_556
O42 K4 O85 67.6(6) 2_745 4_556
O19 K4 O85 101.9(6) . 4_556
O71 K4 O65 81.7(4) 4_556 1_545
O66 K4 O65 65.5(4) 1_545 1_545
O42 K4 O65 75.0(4) 2_745 1_545
O19 K4 O65 105.8(4) . 1_545
O85 K4 O65 140.9(6) 4_556 1_545
O71 K4 O82 146.0(5) 4_556 .
O66 K4 O82 67.5(5) 1_545 .
O42 K4 O82 125.4(5) 2_745 .
O19 K4 O82 77.7(5) . .
O85 K4 O82 85.4(6) 4_556 .
O65 K4 O82 127.1(5) 1_545 .
O71 K4 O44 132.0(4) 4_556 2_745
O66 K4 O44 100.6(4) 1_545 2_745
O42 K4 O44 59.1(4) 2_745 2_745
O19 K4 O44 145.2(4) . 2_745
O85 K4 O44 72.0(5) 4_556 2_745
O65 K4 O44 98.5(4) 1_545 2_745
O82 K4 O44 67.8(5) . 2_745
O71 K4 C20 111.5(5) 4_556 1_545
O66 K4 C20 20.8(4) 1_545 1_545
O42 K4 C20 114.1(5) 2_745 1_545
O19 K4 C20 80.9(4) . 1_545
O85 K4 C20 170.2(6) 4_556 1_545
O65 K4 C20 44.7(4) 1_545 1_545
O82 K4 C20 86.0(5) . 1_545
O44 K4 C20 100.3(4) 2_745 1_545
O71 K4 C19 96.3(4) 4_556 1_545
O66 K4 C19 44.6(4) 1_545 1_545
O42 K4 C19 93.1(4) 2_745 1_545
O19 K4 C19 94.8(4) . 1_545
O85 K4 C19 160.7(6) 4_556 1_545
O65 K4 C19 20.9(3) 1_545 1_545
O82 K4 C19 107.9(5) . 1_545
O44 K4 C19 99.6(4) 2_745 1_545
C20 K4 C19 23.79(19) 1_545 1_545
O71 K4 Mo14 100.2(3) 4_556 2_745
O66 K4 Mo14 118.8(3) 1_545 2_745
O42 K4 Mo14 25.2(3) 2_745 2_745
O19 K4 Mo14 172.0(3) . 2_745
O85 K4 Mo14 70.1(5) 4_556 2_745
O65 K4 Mo14 80.9(3) 1_545 2_745
O82 K4 Mo14 102.0(4) . 2_745
O44 K4 Mo14 34.4(2) 2_745 2_745
C20 K4 Mo14 107.1(4) 1_545 2_745
C19 K4 Mo14 93.0(3) 1_545 2_745
O71 K4 K1 121.9(3) 4_556 .
O66 K4 K1 39.3(3) 1_545 .
O42 K4 K1 162.8(3) 2_745 .
O19 K4 K1 45.7(3) . .
O85 K4 K1 115.4(5) 4_556 .
O65 K4 K1 103.7(3) 1_545 .
O82 K4 K1 41.8(4) . .
O44 K4 K1 104.8(3) 2_745 .
C20 K4 K1 59.9(3) 1_545 .
C19 K4 K1 83.3(3) 1_545 .
Mo14 K4 K1 137.89(15) 2_745 .
O73 K5 O127 95.4(8) . .
O73 K5 O49 151.3(5) . .
O127 K5 O49 71.0(8) . .
O73 K5 O48 130.2(5) . .
O127 K5 O48 126.1(8) . .
O49 K5 O48 55.2(4) . .
O73 K5 O72 79.9(5) . .
O127 K5 O72 134.9(8) . .
O49 K5 O72 127.7(5) . .
O48 K5 O72 86.5(4) . .
O73 K5 O50 103.3(4) . .
O127 K5 O50 93.1(8) . .
O49 K5 O50 54.2(4) . .
O48 K5 O50 54.3(4) . .
O72 K5 O50 131.8(4) . .
O73 K5 O52 136.0(5) . .
O127 K5 O52 70.8(8) . .
O49 K5 O52 64.6(4) . .
O48 K5 O52 87.9(4) . .
O72 K5 O52 81.8(4) . .
O50 K5 O52 118.6(4) . .
O73 K5 C50 92.4(8) . .
O127 K5 C50 14.1(9) . .
O49 K5 C50 80.0(8) . .
O48 K5 C50 134.5(8) . .
O72 K5 C50 120.9(8) . .
O50 K5 C50 107.2(8) . .
O52 K5 C50 64.0(8) . .
O73 K5 C26 159.2(5) . .
O127 K5 C26 64.3(8) . .
O49 K5 C26 20.4(4) . .
O48 K5 C26 65.9(5) . .
O72 K5 C26 117.3(5) . .
O50 K5 C26 74.6(5) . .
O52 K5 C26 44.6(5) . .
C50 K5 C26 69.2(8) . .
O73 K5 C25 151.3(5) . .
O127 K5 C25 64.7(8) . .
O49 K5 C25 44.2(5) . .
O48 K5 C25 78.0(5) . .
O72 K5 C25 99.2(5) . .
O50 K5 C25 98.4(5) . .
O52 K5 C25 20.7(4) . .
C50 K5 C25 63.2(8) . .
C26 K5 C25 24.0(5) . .
O73 K5 Mo3 134.4(4) . .
O127 K5 Mo3 93.0(7) . .
O49 K5 Mo3 28.8(3) . .
O48 K5 Mo3 36.1(3) . .
O72 K5 Mo3 122.3(4) . .
O50 K5 Mo3 31.4(2) . .
O52 K5 Mo3 88.9(3) . .
C50 K5 Mo3 104.7(7) . .
C26 K5 Mo3 48.0(4) . .
C25 K5 Mo3 70.2(4) . .
O73 K5 K6 43.0(3) . .
O127 K5 K6 119.7(7) . .
O49 K5 K6 164.9(3) . .
O48 K5 K6 113.8(3) . .
O72 K5 K6 37.3(3) . .
O50 K5 K6 130.6(3) . .
O52 K5 K6 107.3(3) . .
C50 K5 K6 108.6(7) . .
C26 K5 K6 151.0(4) . .
C25 K5 K6 127.8(4) . .
Mo3 K5 K6 146.63(19) . .
O72 K6 O15 144.5(5) . .
O72 K6 O105 99.8(7) . .
O15 K6 O105 77.6(7) . .
O72 K6 O17 125.1(5) . .
O15 K6 O17 55.8(4) . .
O105 K6 O17 131.6(7) . .
O72 K6 O84 65.7(6) . .
O15 K6 O84 82.8(5) . .
O105 K6 O84 61.8(8) . .
O17 K6 O84 117.8(5) . .
O72 K6 O13 147.9(5) . .
O15 K6 O13 64.3(4) . .
O105 K6 O13 68.0(7) . .
O17 K6 O13 79.7(4) . .
O84 K6 O13 124.5(6) . .
O72 K6 O73 77.7(5) . .
O15 K6 O73 133.7(4) . .
O105 K6 O73 123.1(7) . .
O17 K6 O73 86.9(4) . .
O84 K6 O73 143.0(6) . .
O13 K6 O73 84.6(4) . .
O72 K6 O18 99.6(4) . .
O15 K6 O18 50.3(3) . .
O105 K6 O18 108.5(7) . .
O17 K6 O18 52.1(4) . .
O84 K6 O18 65.9(5) . .
O13 K6 O18 112.3(4) . .
O73 K6 O18 128.2(4) . .
O72 K6 O12 96.4(4) . .
O15 K6 O12 112.8(4) . .
O105 K6 O12 62.9(7) . .
O17 K6 O12 121.1(4) . .
O84 K6 O12 116.7(5) . .
O13 K6 O12 51.5(4) . .
O73 K6 O12 61.0(4) . .
O18 K6 O12 163.0(4) . .
O72 K6 C9 158.7(5) . .
O15 K6 C9 21.4(4) . .
O105 K6 C9 66.4(7) . .
O17 K6 C9 65.4(4) . .
O84 K6 C9 93.1(6) . .
O13 K6 C9 44.0(4) . .
O73 K6 C9 123.2(5) . .
O18 K6 C9 71.6(4) . .
O12 K6 C9 91.4(4) . .
O72 K6 C10 160.7(5) . .
O15 K6 C10 44.2(4) . .
O105 K6 C10 62.7(7) . .
O17 K6 C10 74.1(4) . .
O84 K6 C10 108.5(6) . .
O13 K6 C10 21.1(4) . .
O73 K6 C10 104.5(4) . .
O18 K6 C10 94.0(4) . .
O12 K6 C10 69.1(4) . .
C9 K6 C10 23.21(19) . .
O72 K6 K5 41.2(4) . .
O15 K6 K5 167.2(4) . .
O105 K6 K5 114.5(7) . .
O17 K6 K5 111.5(3) . .
O84 K6 K5 106.3(5) . .
O13 K6 K5 115.1(4) . .
O73 K6 K5 36.8(3) . .
O18 K6 K5 124.6(3) . .
O12 K6 K5 71.8(3) . .
C9 K6 K5 158.5(4) . .
C10 K6 K5 136.1(4) . .
O59 K7 O62 104.7(6) . 3_755
O59 K7 O78 170.2(6) . .
O62 K7 O78 83.9(5) 3_755 .
O59 K7 O37 114.1(6) . .
O62 K7 O37 93.6(5) 3_755 .
O78 K7 O37 69.2(4) . .
O59 K7 O35 65.2(5) . .
O62 K7 O35 62.9(4) 3_755 .
O78 K7 O35 123.9(5) . .
O37 K7 O35 69.2(4) . .
O59 K7 O61 118.9(6) . 3_755
O62 K7 O61 64.1(4) 3_755 3_755
O78 K7 O61 60.4(4) . 3_755
O37 K7 O61 125.9(4) . 3_755
O35 K7 O61 125.6(4) . 3_755
O59 K7 C24 120.3(6) . 3_755
O62 K7 C24 22.2(4) 3_755 3_755
O78 K7 C24 66.8(5) . 3_755
O37 K7 C24 99.6(5) . 3_755
O35 K7 C24 84.9(4) . 3_755
O61 K7 C24 43.9(4) 3_755 3_755
O59 K7 S13 97.8(5) . 2_755
O62 K7 S13 155.8(4) 3_755 2_755
O78 K7 S13 74.4(3) . 2_755
O37 K7 S13 68.8(3) . 2_755
O35 K7 S13 121.2(3) . 2_755
O61 K7 S13 112.2(3) 3_755 2_755
C24 K7 S13 141.1(4) 3_755 2_755
O59 K7 C23 126.6(6) . 3_755
O62 K7 C23 45.2(4) 3_755 3_755
O78 K7 C23 56.8(4) . 3_755
O37 K7 C23 111.2(4) . 3_755
O35 K7 C23 108.2(4) . 3_755
O61 K7 C23 21.2(4) 3_755 3_755
C24 K7 C23 23.60(19) 3_755 3_755
S13 K7 C23 124.4(4) 2_755 3_755
O59 K7 S6 59.8(5) . .
O62 K7 S6 116.1(4) 3_755 .
O78 K7 S6 120.8(4) . .
O37 K7 S6 55.3(3) . .
O35 K7 S6 54.3(3) . .
O61 K7 S6 178.8(4) 3_755 .
C24 K7 S6 136.5(4) 3_755 .
S13 K7 S6 68.21(17) 2_755 .
C23 K7 S6 159.5(4) 3_755 .
O59 K7 Mo7 92.8(5) . .
O62 K7 Mo7 100.7(4) 3_755 .
O78 K7 Mo7 90.0(4) . .
O37 K7 Mo7 21.3(3) . .
O35 K7 Mo7 57.1(3) . .
O61 K7 Mo7 146.8(3) 3_755 .
C24 K7 Mo7 113.3(4) 3_755 .
S13 K7 Mo7 69.07(16) 2_755 .
C23 K7 Mo7 129.7(4) 3_755 .
S6 K7 Mo7 34.37(12) . .
O59 K7 Mo4 62.6(5) . .
O62 K7 Mo4 82.5(4) 3_755 .
O78 K7 Mo4 124.1(4) . .
O37 K7 Mo4 58.0(3) . .
O35 K7 Mo4 20.8(2) . .
O61 K7 Mo4 146.1(3) 3_755 .
C24 K7 Mo4 103.8(4) 3_755 .
S13 K7 Mo4 100.50(19) 2_755 .
C23 K7 Mo4 127.4(3) 3_755 .
S6 K7 Mo4 33.87(11) . .
Mo7 K7 Mo4 40.86(9) . .
O58 K8 O64 132.7(5) . 3_655
O58 K8 O98 83.7(7) . .
O64 K8 O98 67.1(6) 3_655 .
O58 K8 O10 85.1(5) . 3_655
O64 K8 O10 119.1(5) 3_655 3_655
O98 K8 O10 168.3(6) . 3_655
O58 K8 O10 113.7(4) . .
O64 K8 O10 108.5(5) 3_655 .
O98 K8 O10 102.0(6) . .
O10 K8 O10 85.7(4) 3_655 .
O58 K8 O11 153.4(5) . 3_655
O64 K8 O11 67.3(4) 3_655 3_655
O98 K8 O11 122.9(6) . 3_655
O10 K8 O11 68.4(4) 3_655 3_655
O10 K8 O11 63.1(4) . 3_655
O58 K8 O113 54.1(11) . .
O64 K8 O113 84.8(11) 3_655 .
O98 K8 O113 82.6(12) . .
O10 K8 O113 88.0(11) 3_655 .
O10 K8 O113 166.8(11) . .
O11 K8 O113 124.8(11) 3_655 .
O58 K8 S10 64.1(4) . .
O64 K8 S10 128.5(4) 3_655 .
O98 K8 S10 68.3(6) . .
O10 K8 S10 109.7(3) 3_655 .
O10 K8 S10 58.3(3) . .
O11 K8 S10 121.2(3) 3_655 .
O113 K8 S10 113.5(11) . .
O58 K8 S9 112.0(4) . 3_655
O64 K8 S9 62.8(4) 3_655 3_655
O98 K8 S9 123.1(6) . 3_655
O10 K8 S9 58.5(3) 3_655 3_655
O10 K8 S9 117.5(3) . 3_655
O11 K8 S9 56.8(3) 3_655 3_655
O113 K8 S9 68.2(11) . 3_655
S10 K8 S9 168.2(2) . 3_655
O58 K8 Mo6 97.5(4) . 3_655
O64 K8 Mo6 97.0(4) 3_655 3_655
O98 K8 Mo6 157.6(6) . 3_655
O10 K8 Mo6 22.6(3) 3_655 3_655
O10 K8 Mo6 98.0(3) . 3_655
O11 K8 Mo6 58.8(3) 3_655 3_655
O113 K8 Mo6 80.2(11) . 3_655
S10 K8 Mo6 132.27(19) . 3_655
S9 K8 Mo6 35.96(12) 3_655 3_655
O58 K8 Mo6 95.9(3) . .
O64 K8 Mo6 117.4(4) 3_655 .
O98 K8 Mo6 86.6(6) . .
O10 K8 Mo6 98.1(3) 3_655 .
O10 K8 Mo6 22.6(3) . .
O11 K8 Mo6 85.3(3) 3_655 .
O113 K8 Mo6 148.9(11) . .
S10 K8 Mo6 35.88(11) . .
S9 K8 Mo6 140.03(19) 3_655 .
Mo6 K8 Mo6 115.43(15) 3_655 .
O58 K8 Mo11 139.0(4) . 3_655
O64 K8 Mo11 65.1(4) 3_655 3_655
O98 K8 Mo11 130.9(6) . 3_655
O10 K8 Mo11 58.1(3) 3_655 3_655
O10 K8 Mo11 83.2(3) . 3_655
O11 K8 Mo11 22.1(3) 3_655 3_655
O113 K8 Mo11 103.2(11) . 3_655
S10 K8 Mo11 141.17(19) . 3_655
S9 K8 Mo11 35.06(11) 3_655 3_655
Mo6 K8 Mo11 41.86(7) 3_655 3_655
Mo6 K8 Mo11 105.85(13) . 3_655
O112 K9 O35 85.2(15) . 3_755
O112 K9 O62 158.6(15) . 3_755
O35 K9 O62 83.8(5) 3_755 3_755
O112 K9 O62 79.0(15) . .
O35 K9 O62 65.8(5) 3_755 .
O62 K9 O62 112.7(5) 3_755 .
O112 K9 O100 86.8(16) . .
O35 K9 O100 105.7(7) 3_755 .
O62 K9 O100 78.6(7) 3_755 .
O62 K9 O100 163.9(8) . .
O112 K9 O35 139.0(15) . .
O35 K9 O35 116.1(4) 3_755 .
O62 K9 O35 62.4(5) 3_755 .
O62 K9 O35 79.0(5) . .
O100 K9 O35 117.0(7) . .
O112 K9 K9 131.8(16) . 3_755
O35 K9 K9 62.1(4) 3_755 3_755
O62 K9 K9 56.4(4) 3_755 3_755
O62 K9 K9 56.2(4) . 3_755
O100 K9 K9 133.6(8) . 3_755
O35 K9 K9 53.9(4) . 3_755
O112 K9 S2 80.7(15) . .
O35 K9 S2 135.8(4) 3_755 .
O62 K9 S2 119.7(5) 3_755 .
O62 K9 S2 70.5(4) . .
O100 K9 S2 115.0(6) . .
O35 K9 S2 59.4(3) . .
K9 K9 S2 98.3(4) 3_755 .
O112 K9 O37 104.3(15) . .
O35 K9 O37 165.4(5) 3_755 .
O62 K9 O37 83.6(5) 3_755 .
O62 K9 O37 126.3(5) . .
O100 K9 O37 64.5(6) . .
O35 K9 O37 63.7(4) . .
K9 K9 O37 115.7(5) 3_755 .
S2 K9 O37 57.8(3) . .
O112 K9 C24 138.8(15) . 3_755
O35 K9 C24 77.6(5) 3_755 3_755
O62 K9 C24 20.0(4) 3_755 3_755
O62 K9 C24 124.7(6) . 3_755
O100 K9 C24 63.0(7) . 3_755
O35 K9 C24 81.9(4) . 3_755
K9 K9 C24 70.6(5) 3_755 3_755
S2 K9 C24 136.1(4) . 3_755
O37 K9 C24 88.1(5) . 3_755
O112 K9 Mo4 116.0(15) . .
O35 K9 Mo4 128.1(4) 3_755 .
O62 K9 Mo4 85.2(4) 3_755 .
O62 K9 Mo4 72.4(4) . .
O100 K9 Mo4 121.3(6) . .
O35 K9 Mo4 23.4(3) . .
K9 K9 Mo4 69.7(3) 3_755 .
S2 K9 Mo4 36.01(14) . .
O37 K9 Mo4 57.8(3) . .
C24 K9 Mo4 104.0(4) 3_755 .
O112 K9 Mo4 94.7(15) . 3_755
O35 K9 Mo4 18.0(3) 3_755 3_755
O62 K9 Mo4 70.2(3) 3_755 3_755
O62 K9 Mo4 82.6(4) . 3_755
O100 K9 Mo4 91.1(6) . 3_755
O35 K9 Mo4 116.2(4) . 3_755
K9 K9 Mo4 65.1(3) 3_755 3_755
S2 K9 Mo4 153.0(3) . 3_755
O37 K9 Mo4 147.6(4) . 3_755
C24 K9 Mo4 60.9(3) 3_755 3_755
Mo4 K9 Mo4 134.8(3) . 3_755
Mo1 O1 K3 117.5(7) . .
Mo1 O2 Mo17 100.9(6) . .
Mo1 O3 Mo17 102.1(6) . .
C1 O4 Mo1 132.3(13) . .
C1 O4 Mo17 137.0(12) . .
Mo1 O4 Mo17 90.7(5) . .
Mo6 O7 Mo18 100.6(6) . .
Mo6 O8 Mo18 101.2(6) . .
C2 O9 Mo6 133.9(13) . .
C2 O9 Mo18 136.6(12) . .
Mo6 O9 Mo18 89.4(5) . .
Mo6 O10 K8 117.1(7) . 3_655
Mo6 O10 K8 116.5(6) . .
K8 O10 K8 94.3(4) 3_655 .
Mo11 O11 K8 115.9(6) . 3_655
C3 O12 Mo11 124.0(12) . .
C3 O12 K6 117.6(11) . .
Mo11 O12 K6 108.2(4) . .
C10 O13 Mo11 125.9(12) . .
C10 O13 K6 101.5(11) . .
Mo11 O13 K6 125.5(6) . .
C5 O14 Mo11 126.7(11) . .
C9 O15 Mo2 125.8(12) . .
C9 O15 K6 106.9(10) . .
Mo2 O15 K6 115.0(5) . .
Mo2 O16 K1 121.6(6) . .
C15 O17 Mo2 126.8(11) . .
C15 O17 K6 132.5(11) . .
Mo2 O17 K6 99.9(5) . .
C34 O18 Mo2 125.7(11) . .
C34 O18 K6 132.5(10) . .
Mo2 O18 K6 101.2(4) . .
Mo13 O19 K4 135.5(7) . .
Mo13 O19 K1 117.9(6) . .
K4 O19 K1 91.3(4) . .
Mo13 O20 Mo12 101.4(5) . .
Mo13 O21 Mo12 101.3(5) . .
C14 O22 Mo13 133.1(11) . .
C14 O22 Mo12 137.1(11) . .
Mo13 O22 Mo12 89.8(5) . .
Mo12 O23 K3 141.4(7) . 4_556
Mo15 O25 Mo9 100.3(6) . .
Mo15 O26 Mo9 101.9(5) . .
C13 O27 Mo9 132.9(11) . .
C13 O27 Mo15 136.1(11) . .
Mo9 O27 Mo15 91.0(5) . .
Mo9 O28 K2 116.8(6) . .
Mo5 O29 K2 112.3(6) . .
C16 O30 Mo5 125.0(10) . .
C18 O31 Mo5 125.6(10) . .
C6 O32 Mo5 129.4(12) . .
C33 O33 Mo4 126.1(11) . .
C21 O34 Mo4 132.4(11) . .
Mo4 O35 K9 131.2(7) . 3_755
Mo4 O35 K9 110.4(6) . .
K9 O35 K9 63.9(4) 3_755 .
Mo4 O35 K7 119.0(6) . .
K9 O35 K7 109.2(5) 3_755 .
K9 O35 K7 86.8(4) . .
C31 O36 Mo4 124.1(12) . .
Mo7 O37 K7 119.8(7) . .
Mo7 O37 K9 103.9(6) . .
K7 O37 K9 82.8(4) . .
C29 O38 Mo7 132.7(13) . .
C29 O38 Mo16 135.2(13) . .
Mo7 O38 Mo16 92.0(5) . .
Mo7 O39 Mo16 102.1(6) . .
Mo7 O40 Mo16 99.5(6) . .
Mo16 O41 K2 126.3(7) . 2_755
Mo14 O42 K4 109.9(6) . 2_765
Mo14 O42 K2 119.5(7) . 2_755
K4 O42 K2 95.2(4) 2_765 2_755
Mo14 O42 K3 134.4(7) . 3_765
K4 O42 K3 88.0(4) 2_765 3_765
K2 O42 K3 99.2(4) 2_755 3_765
Mo14 O43 Mo8 101.6(6) . .
Mo8 O44 Mo14 102.0(6) . .
Mo8 O44 K4 140.3(6) . 2_765
Mo14 O44 K4 90.5(4) . 2_765
C30 O45 Mo8 134.1(12) . .
C30 O45 Mo14 134.9(12) . .
Mo8 O45 Mo14 90.4(5) . .
Mo8 O46 K1 121.4(6) . 1_565
Mo3 O47 K1 122.1(6) . 1_565
C32 O48 Mo3 123.0(12) . .
C32 O48 K5 138.0(12) . .
Mo3 O48 K5 98.4(5) . .
C26 O49 Mo3 132.4(13) . .
C26 O49 K5 110.0(12) . .
Mo3 O49 K5 110.9(6) . .
C17 O50 Mo3 125.7(10) . .
C17 O50 K5 131.9(10) . .
Mo3 O50 K5 102.4(4) . .
Mo10 O51 K3 118.4(6) . .
C25 O52 Mo10 128.0(13) . .
C25 O52 K5 100.5(12) . .
Mo10 O52 K5 130.5(6) . .
C22 O53 Mo10 125.2(11) . .
C4 O54 Mo10 123.6(12) . .
C11 O58 K8 150.6(14) . .
C36 O59 K7 154.7(16) . .
C35 O60 K1 151.6(13) . .
C23 O61 K3 151.5(12) . .
C23 O61 K7 91.3(11) . 3_755
K3 O61 K7 114.4(5) . 3_755
C24 O62 K7 105.7(11) . 3_755
C24 O62 K9 113.3(12) . 3_755
K7 O62 K9 98.6(5) 3_755 3_755
C24 O62 K9 135.2(12) . .
K7 O62 K9 118.8(6) 3_755 .
K9 O62 K9 67.3(5) 3_755 .
C8 O64 K8 151.9(13) . 3_655
C19 O65 K2 153.4(12) . .
C19 O65 K4 102.9(10) . 1_565
K2 O65 K4 103.6(5) . 1_565
C20 O66 K1 151.4(12) . 1_565
C20 O66 K4 107.6(10) . 1_565
K1 O66 K4 98.7(5) 1_565 1_565
K3 O71 K4 96.7(4) . 4
K6 O72 K5 101.5(5) . .
K5 O73 K6 100.3(5) . .
K1 O82 K4 91.6(6) . .
K3 O85 K4 92.6(7) . 4
K2 O86 K3 99.7(7) 4_565 .
O129 O112 K9 133(4) . .
C50 O127 K5 126(3) . .
C39 N1 C38 121(2) . .
C39 N1 C37 120(2) . .
C38 N1 C37 119(2) . .
C41 N2 C40 125(4) . .
C41 N2 C50 122(4) . .
C40 N2 C50 113(4) . .
C45 N3 C46 111(2) . .
C45 N3 C43 112(2) . .
C46 N3 C43 112(2) . .
C45 N3 C44 115(2) . .
C46 N3 C44 104(2) . .
C43 N3 C44 102(2) . .
C49 N4 C47 126(2) . .
C49 N4 C48 118(2) . .
C47 N4 C48 116(2) . .
O4 C1 C2 129.4(19) . .
O4 C1 C4 138.6(19) . .
C2 C1 C4 91.8(17) . .
O9 C2 C1 131.3(19) . .
O9 C2 C3 137.3(19) . .
C1 C2 C3 91.2(17) . .
O12 C3 C2 134.6(18) . .
O12 C3 C4 137.4(18) . .
C2 C3 C4 87.9(16) . .
O54 C4 C1 134.9(19) . .
O54 C4 C3 136.0(18) . .
C1 C4 C3 89.1(16) . .
O14 C5 C6 129.5(15) . .
O14 C5 C8 138.6(17) . .
C6 C5 C8 91.9(15) . .
O14 C5 C7 176.5(15) . .
C6 C5 C7 47.1(11) . .
C8 C5 C7 44.9(8) . .
O32 C6 C5 135.6(18) . .
O32 C6 C7 136.2(18) . .
C5 C6 C7 88.2(14) . .
O32 C6 C8 179.5(17) . .
C5 C6 C8 44.1(8) . .
C7 C6 C8 44.1(7) . .
O63 C7 C8 137(2) . .
O63 C7 C6 133.5(18) . .
C8 C7 C6 89.7(16) . .
O63 C7 C5 178.2(18) . .
C8 C7 C5 44.9(9) . .
C6 C7 C5 44.8(8) . .
O64 C8 C7 133.1(18) . .
O64 C8 C5 136.7(17) . .
C7 C8 C5 90.2(16) . .
O64 C8 C6 178.6(18) . .
C7 C8 C6 46.2(12) . .
C5 C8 C6 43.9(8) . .
O15 C9 C10 132.7(17) . .
O15 C9 C12 137.6(17) . .
C10 C9 C12 89.7(15) . .
O15 C9 C11 177.4(16) . .
C10 C9 C11 44.9(8) . .
C12 C9 C11 44.9(8) . .
O15 C9 K6 51.7(9) . .
C10 C9 K6 82.8(11) . .
C12 C9 K6 162.5(15) . .
C11 C9 K6 126.3(9) . .
O13 C10 C9 129.8(17) . .
O13 C10 C11 139.7(17) . .
C9 C10 C11 90.5(15) . .
O13 C10 C12 174.9(15) . .
C9 C10 C12 45.2(8) . .
C11 C10 C12 45.3(8) . .
O13 C10 K6 57.4(9) . .
C9 C10 K6 74.0(10) . .
C11 C10 K6 159.5(13) . .
C12 C10 K6 117.5(9) . .
O58 C11 C10 136.6(18) . .
O58 C11 C12 133.9(18) . .
C10 C11 C12 89.4(15) . .
O58 C11 C9 175.5(19) . .
C10 C11 C9 44.6(8) . .
C12 C11 C9 44.8(8) . .
O57 C12 C9 133.3(18) . .
O57 C12 C11 136.4(18) . .
C9 C12 C11 90.3(15) . .
O57 C12 C10 177(2) . .
C9 C12 C10 45.1(8) . .
C11 C12 C10 45.3(8) . .
O27 C13 C14 132.1(15) . .
O27 C13 C16 139.1(15) . .
C14 C13 C16 88.7(13) . .
O27 C13 C15 176.3(14) . .
C14 C13 C15 44.2(7) . .
C16 C13 C15 44.5(7) . .
O22 C14 C13 129.6(15) . .
O22 C14 C15 138.7(15) . .
C13 C14 C15 91.7(13) . .
O22 C14 C16 175.3(14) . .
C13 C14 C16 45.7(7) . .
C15 C14 C16 46.0(7) . .
O17 C15 C14 132.3(16) . .
O17 C15 C16 139.3(15) . .
C14 C15 C16 88.4(13) . .
O17 C15 C13 176.4(14) . .
C14 C15 C13 44.1(7) . .
C16 C15 C13 44.3(7) . .
O30 C16 C13 133.2(15) . .
O30 C16 C15 135.6(15) . .
C13 C16 C15 91.2(13) . .
O30 C16 C14 178.5(16) . .
C13 C16 C14 45.6(7) . .
C15 C16 C14 45.7(7) . .
O50 C17 C18 133.4(15) . .
O50 C17 C20 137.1(15) . .
C18 C17 C20 89.1(13) . .
O50 C17 C19 175.6(15) . .
C18 C17 C19 44.6(7) . .
C20 C17 C19 44.5(7) . .
O31 C18 C17 131.2(14) . .
O31 C18 C19 137.8(14) . .
C17 C18 C19 91.0(13) . .
O31 C18 C20 176.7(13) . .
C17 C18 C20 45.5(7) . .
C19 C18 C20 45.5(7) . .
O65 C19 C20 131.8(15) . .
O65 C19 C18 139.4(15) . .
C20 C19 C18 88.8(13) . .
O65 C19 C17 176.1(14) . .
C20 C19 C17 44.4(7) . .
C18 C19 C17 44.4(7) . .
O65 C19 K4 56.2(9) . 1_565
C20 C19 K4 75.7(9) . 1_565
C18 C19 K4 164.1(11) . 1_565
C17 C19 K4 120.0(8) . 1_565
O66 C20 C17 136.9(15) . .
O66 C20 C19 132.0(16) . .
C17 C20 C19 91.1(13) . .
O66 C20 C18 177.6(14) . .
C17 C20 C18 45.4(7) . .
C19 C20 C18 45.7(7) . .
O66 C20 K4 51.6(9) . 1_565
C17 C20 K4 170.6(12) . 1_565
C19 C20 K4 80.5(9) . 1_565
C18 C20 K4 126.1(8) . 1_565
O34 C21 C24 135.8(16) . .
O34 C21 C22 134.2(15) . .
C24 C21 C22 90.0(13) . .
O34 C21 C23 178.2(17) . .
C24 C21 C23 44.9(7) . .
C22 C21 C23 45.1(7) . .
O53 C22 C21 129.3(15) . .
O53 C22 C23 140.6(16) . .
C21 C22 C23 90.1(13) . .
O53 C22 C24 174.2(14) . .
C21 C22 C24 45.0(7) . .
C23 C22 C24 45.1(7) . .
O61 C23 C24 133.8(15) . .
O61 C23 C22 136.5(16) . .
C24 C23 C22 89.6(13) . .
O61 C23 C21 178.2(16) . .
C24 C23 C21 44.8(7) . .
C22 C23 C21 44.8(7) . .
O61 C23 K7 67.5(10) . 3_755
C24 C23 K7 71.5(10) . 3_755
C22 C23 K7 148.0(13) . 3_755
C21 C23 K7 111.8(8) . 3_755
O62 C24 C21 135.2(16) . .
O62 C24 C23 134.0(15) . .
C21 C24 C23 90.4(13) . .
O62 C24 C22 175.0(19) . .
C21 C24 C22 45.0(7) . .
C23 C24 C22 45.3(7) . .
O62 C24 K7 52.1(9) . 3_755
C21 C24 K7 152.9(15) . 3_755
C23 C24 K7 84.9(10) . 3_755
C22 C24 K7 124.9(9) . 3_755
O62 C24 K9 46.7(10) . 3_755
C21 C24 K9 94.7(11) . 3_755
C23 C24 K9 145.5(15) . 3_755
C22 C24 K9 130.1(10) . 3_755
K7 C24 K9 75.2(5) 3_755 3_755
O52 C25 C26 134(2) . .
O52 C25 C27 137(2) . .
C26 C25 C27 89.2(17) . .
O52 C25 K5 58.8(10) . .
C26 C25 K5 75.7(12) . .
C27 C25 K5 162.5(15) . .
O49 C26 C28 140(2) . .
O49 C26 C25 129.1(19) . .
C28 C26 C25 91.3(19) . .
O49 C26 K5 49.7(9) . .
C28 C26 K5 168.0(16) . .
C25 C26 K5 80.3(12) . .
O56 C27 C28 135(2) . .
O56 C27 C25 137(2) . .
C28 C27 C25 87.2(19) . .
O55 C28 C26 135(2) . .
O55 C28 C27 133(2) . .
C26 C28 C27 92(2) . .
O38 C29 C30 130.9(19) . .
O38 C29 C31 137(2) . .
C30 C29 C31 92.3(18) . .
O45 C30 C29 132.9(18) . .
O45 C30 C32 134.2(19) . .
C29 C30 C32 92.7(16) . .
O36 C31 C29 135.8(19) . .
O36 C31 C32 136.0(18) . .
C29 C31 C32 88.2(17) . .
O48 C32 C30 138.7(19) . .
O48 C32 C31 134.5(18) . .
C30 C32 C31 86.8(16) . .
O33 C33 C36 138.6(16) . .
O33 C33 C34 133.8(16) . .
C36 C33 C34 87.6(15) . .
O33 C33 C35 177.6(14) . .
C36 C33 C35 43.8(8) . .
C34 C33 C35 43.9(8) . .
O18 C34 C33 131.1(15) . .
O18 C34 C35 136.4(15) . .
C33 C34 C35 92.3(15) . .
O18 C34 C36 176.6(15) . .
C33 C34 C36 46.1(8) . .
C35 C34 C36 46.2(8) . .
O60 C35 C36 133.2(17) . .
O60 C35 C34 139.3(18) . .
C36 C35 C34 87.4(15) . .
O60 C35 C33 176.7(17) . .
C36 C35 C33 43.7(8) . .
C34 C35 C33 43.8(8) . .
O59 C36 C33 135.3(19) . .
O59 C36 C35 132.1(18) . .
C33 C36 C35 92.5(15) . .
O59 C36 C34 178(2) . .
C33 C36 C34 46.3(8) . .
C35 C36 C34 46.3(8) . .
O68 C39 N1 127(2) . .
O90 C49 N4 118(2) . .
O127 C50 N2 121(4) . .
O127 C50 K5 40(3) . .
N2 C50 K5 120(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O1 1.685(13) .
Mo1 O3 2.102(14) .
Mo1 O2 2.120(13) .
Mo1 O4 2.260(13) .
Mo1 S15 2.316(6) .
Mo1 S7 2.327(6) .
Mo1 Mo10 2.844(3) .
Mo1 K3 3.973(5) .
Mo2 O16 1.677(13) .
Mo2 O15 2.095(12) .
Mo2 O18 2.123(12) .
Mo2 S11 2.310(6) .
Mo2 S1 2.318(6) .
Mo2 O17 2.450(13) .
Mo2 Mo13 2.849(3) .
Mo2 K1 3.980(5) .
Mo3 O47 1.701(13) .
Mo3 O49 2.087(14) .
Mo3 O50 2.156(12) .
Mo3 S5 2.309(6) .
Mo3 S3 2.324(6) .
Mo3 O48 2.408(13) .
Mo3 Mo8 2.863(3) .
Mo3 K1 4.026(5) 1_565
Mo3 K5 4.045(6) .
Mo4 O35 1.674(13) .
Mo4 O34 2.105(13) .
Mo4 O33 2.138(12) .
Mo4 S6 2.315(6) .
Mo4 S2 2.323(6) .
Mo4 O36 2.396(13) .
Mo4 Mo7 2.855(2) .
Mo4 K9 3.951(10) .
Mo4 K9 4.085(9) 3_755
Mo4 K7 4.127(8) .
Mo5 O29 1.685(13) .
Mo5 O32 2.094(13) .
Mo5 O31 2.143(12) .
Mo5 S16 2.313(6) .
Mo5 S4 2.325(6) .
Mo5 O30 2.444(13) .
Mo5 Mo9 2.854(3) .
Mo6 O10 1.687(13) .
Mo6 O8 2.095(14) .
Mo6 O7 2.109(14) .
Mo6 O9 2.255(13) .
Mo6 S10 2.319(6) .
Mo6 S9 2.319(7) .
Mo6 Mo11 2.835(3) .
Mo6 K8 3.903(6) 3_655
Mo6 K8 3.924(6) .
Mo7 O37 1.696(13) .
Mo7 O39 2.111(13) .
Mo7 O40 2.132(14) .
Mo7 O38 2.268(14) .
Mo7 S6 2.312(6) .
Mo7 S2 2.334(6) .
Mo7 K7 4.051(8) .
Mo7 K9 4.124(9) .
Mo8 O46 1.678(14) .
Mo8 O44 2.101(13) .
Mo8 O43 2.110(13) .
Mo8 O45 2.257(14) .
Mo8 S5 2.308(6) .
Mo8 S3 2.327(6) .
Mo8 K1 4.063(5) 1_565
Mo9 O28 1.671(14) .
Mo9 O26 2.104(13) .
Mo9 O25 2.128(13) .
Mo9 O27 2.254(13) .
Mo9 S16 2.323(6) .
Mo9 S4 2.325(5) .
Mo9 K2 3.887(5) .
Mo10 O51 1.679(13) .
Mo10 O52 2.141(14) .
Mo10 O53 2.145(13) .
Mo10 S15 2.304(6) .
Mo10 S7 2.316(6) .
Mo10 O54 2.384(13) .
Mo10 K3 4.031(5) .
Mo11 O11 1.685(14) .
Mo11 O13 2.138(13) .
Mo11 O14 2.143(14) .
Mo11 S10 2.310(6) .
Mo11 S9 2.324(6) .
Mo11 O12 2.414(12) .
Mo11 K8 4.028(5) 3_655
Mo12 O23 1.668(13) .
Mo12 O20 2.114(13) .
Mo12 O21 2.120(13) .
Mo12 S12 2.319(6) .
Mo12 S13 2.331(6) .
Mo12 O22 2.365(13) .
Mo12 Mo15 2.871(3) .
Mo13 O19 1.684(13) .
Mo13 O21 2.111(13) .
Mo13 O20 2.114(13) .
Mo13 O22 2.271(13) .
Mo13 S11 2.316(5) .
Mo13 S1 2.323(6) .
Mo13 K1 4.018(5) .
Mo14 O42 1.687(13) .
Mo14 O44 2.108(13) .
Mo14 O43 2.110(15) .
Mo14 S17 2.296(7) .
Mo14 S8 2.314(6) .
Mo14 O45 2.351(14) .
Mo14 Mo16 2.864(3) .
Mo14 K4 3.732(5) 2_765
Mo15 O24 1.685(14) .
Mo15 O26 2.100(13) .
Mo15 O25 2.127(13) .
Mo15 S12 2.310(6) .
Mo15 O27 2.324(13) .
Mo15 S13 2.326(6) .
Mo16 O41 1.679(14) .
Mo16 O39 2.123(13) .
Mo16 O40 2.182(14) .
Mo16 O38 2.307(13) .
Mo16 S17 2.312(6) .
Mo16 S8 2.312(7) .
Mo16 K2 4.003(5) 2_755
Mo17 O5 1.676(14) .
Mo17 O3 2.107(14) .
Mo17 O2 2.122(13) .
Mo17 S18 2.312(6) .
Mo17 S14 2.323(6) .
Mo17 O4 2.339(14) .
Mo17 Mo18 2.851(3) .
Mo18 O6 1.682(14) .
Mo18 O8 2.107(14) .
Mo18 O7 2.111(14) .
Mo18 S18 2.306(6) .
Mo18 S14 2.322(7) .
Mo18 O9 2.360(13) .
S2 K9 3.251(11) .
S4 K2 3.470(7) .
S5 K1 3.767(7) 1_565
S6 K7 3.688(9) .
S7 K3 3.635(7) .
S9 K8 3.514(8) 3_655
S10 K8 3.475(7) .
S11 K1 3.671(7) .
S13 K7 3.424(8) 2_755
K1 O60 2.629(15) .
K1 O66 2.638(16) 1_545
K1 O82 2.74(2) .
K1 O16 2.836(14) .
K1 O47 2.855(14) 1_545
K1 O46 2.929(14) 1_545
K1 O19 2.944(14) .
K1 S5 3.767(7) 1_545
K1 Mo3 4.026(5) 1_545
K2 O65 2.625(14) .
K2 O80 2.759(18) .
K2 O41 2.774(15) 2_755
K2 O28 2.836(15) .
K2 O117 2.87(5) .
K2 O86 2.99(2) 4_566
K2 O42 3.113(16) 2_755
K2 O29 3.190(15) .
K2 Mo16 4.003(5) 2_755
K2 K4 4.376(7) 1_565
K3 O61 2.664(16) .
K3 O71 2.734(14) .
K3 O85 2.81(2) .
K3 O1 2.902(15) .
K3 O51 2.952(14) .
K3 O23 3.058(14) 4
K3 O42 3.118(15) 3_765
K3 O86 3.21(2) .
K3 K4 4.119(7) 4
K4 O71 2.779(14) 4_556
K4 O66 2.781(14) 1_545
K4 O42 2.804(14) 2_745
K4 O19 2.809(14) .
K4 O85 2.89(2) 4_556
K4 O65 2.937(15) 1_545
K4 O82 2.99(2) .
K4 O44 3.060(14) 2_745
K4 C20 3.384(18) 1_545
K4 C19 3.445(16) 1_545
K4 Mo14 3.732(5) 2_745
K5 O73 2.689(16) .
K5 O127 2.71(3) .
K5 O49 2.798(15) .
K5 O48 2.917(14) .
K5 O72 2.972(17) .
K5 O50 2.991(13) .
K5 O52 3.053(15) .
K5 C50 3.42(4) .
K5 C26 3.45(2) .
K5 C25 3.51(2) .
K5 K6 4.420(9) .
K6 O72 2.731(17) .
K6 O15 2.808(14) .
K6 O105 2.92(3) .
K6 O17 2.961(15) .
K6 O84 2.99(2) .
K6 O13 3.037(14) .
K6 O73 3.061(17) .
K6 O18 3.183(14) .
K6 O12 3.256(14) .
K6 C9 3.422(19) .
K6 C10 3.532(19) .
K7 O59 2.55(2) .
K7 O62 2.731(15) 3_755
K7 O78 2.764(17) .
K7 O37 2.932(17) .
K7 O35 3.046(16) .
K7 O61 3.235(17) 3_755
K7 C24 3.332(18) 3_755
K7 S13 3.424(8) 2_755
K7 C23 3.500(17) 3_755
K8 O58 2.668(16) .
K8 O64 2.714(17) 3_655
K8 O98 2.81(3) .
K8 O10 2.833(16) 3_655
K8 O10 2.870(15) .
K8 O11 2.996(14) 3_655
K8 O113 3.27(6) .
K8 S9 3.514(8) 3_655
K8 Mo6 3.903(6) 3_655
K8 Mo11 4.028(5) 3_655
K9 O112 2.66(7) .
K9 O35 2.782(16) 3_755
K9 O62 2.786(19) 3_755
K9 O62 2.792(18) .
K9 O100 2.92(3) .
K9 O35 3.043(16) .
K9 K9 3.09(2) 3_755
K9 O37 3.374(17) .
K9 C24 3.52(2) 3_755
K9 Mo4 4.085(9) 3_755
O4 C1 1.27(2) .
O9 C2 1.26(2) .
O10 K8 2.833(16) 3_655
O11 K8 2.996(14) 3_655
O12 C3 1.24(2) .
O13 C10 1.30(2) .
O14 C5 1.30(2) .
O15 C9 1.30(2) .
O17 C15 1.270(19) .
O18 C34 1.296(19) .
O22 C14 1.285(19) .
O23 K3 3.058(14) 4_556
O27 C13 1.280(19) .
O30 C16 1.280(19) .
O31 C18 1.311(19) .
O32 C6 1.29(2) .
O33 C33 1.270(18) .
O34 C21 1.306(19) .
O35 K9 2.782(16) 3_755
O36 C31 1.24(2) .
O38 C29 1.27(2) .
O41 K2 2.774(15) 2_755
O42 K4 2.804(14) 2_765
O42 K2 3.113(16) 2_755
O42 K3 3.118(15) 3_765
O44 K4 3.060(14) 2_765
O45 C30 1.26(2) .
O46 K1 2.929(14) 1_565
O47 K1 2.855(14) 1_565
O48 C32 1.23(2) .
O49 C26 1.28(2) .
O50 C17 1.286(19) .
O52 C25 1.26(2) .
O53 C22 1.299(19) .
O54 C4 1.24(2) .
O55 C28 1.27(3) .
O56 C27 1.22(3) .
O57 C12 1.24(2) .
O58 C11 1.29(2) .
O59 C36 1.35(3) .
O60 C35 1.26(2) .
O61 C23 1.26(2) .
O61 K7 3.235(17) 3_755
O62 C24 1.31(2) .
O62 K7 2.731(15) 3_755
O62 K9 2.786(19) 3_755
O63 C7 1.28(2) .
O64 C8 1.25(2) .
O64 K8 2.714(17) 3_655
O65 C19 1.262(19) .
O65 K4 2.937(15) 1_565
O66 C20 1.26(2) .
O66 K1 2.638(16) 1_565
O66 K4 2.781(14) 1_565
O68 C39 1.26(3) .
O71 K4 2.778(14) 4
O85 K4 2.89(2) 4
O86 K2 2.99(2) 4_565
O90 C49 1.28(3) .
O101 O126 0.95(4) .
O112 O129 1.74(10) .
O127 C50 1.03(4) .
N1 C39 1.31(3) .
N1 C38 1.48(3) .
N1 C37 1.50(3) .
N2 C41 1.39(6) .
N2 C40 1.46(6) .
N2 C50 1.51(6) .
N3 C45 1.49(3) .
N3 C46 1.54(3) .
N3 C43 1.55(5) .
N3 C44 1.56(3) .
N4 C49 1.29(3) .
N4 C47 1.47(3) .
N4 C48 1.51(3) .
N5 C51 1.49(7) .
C1 C2 1.43(3) .
C1 C4 1.44(3) .
C2 C3 1.46(3) .
C3 C4 1.50(3) .
C5 C6 1.404(10) .
C5 C8 1.408(10) .
C5 C7 1.99(3) .
C6 C7 1.46(3) .
C6 C8 2.02(3) .
C7 C8 1.407(10) .
C9 C10 1.403(10) .
C9 C12 1.407(10) .
C9 C11 2.00(3) .
C10 C11 1.409(10) .
C10 C12 1.98(3) .
C11 C12 1.409(10) .
C13 C14 1.401(7) .
C13 C16 1.406(10) .
C13 C15 2.01(2) .
C14 C15 1.404(10) .
C14 C16 1.96(2) .
C15 C16 1.411(10) .
C17 C18 1.406(10) .
C17 C20 1.407(10) .
C17 C19 2.01(2) .
C18 C19 1.412(10) .
C18 C20 1.97(2) .
C19 C20 1.409(10) .
C19 K4 3.445(16) 1_565
C20 K4 3.384(18) 1_565
C21 C24 1.404(10) .
C21 C22 1.405(10) .
C21 C23 1.99(2) .
C22 C23 1.413(10) .
C22 C24 1.99(2) .
C23 C24 1.407(10) .
C23 K7 3.500(17) 3_755
C24 K7 3.333(19) 3_755
C24 K9 3.52(2) 3_755
C25 C26 1.45(3) .
C25 C27 1.51(3) .
C26 C28 1.42(3) .
C27 C28 1.46(3) .
C29 C30 1.39(3) .
C29 C31 1.45(3) .
C30 C32 1.46(3) .
C31 C32 1.52(3) .
C33 C36 1.400(10) .
C33 C34 1.404(10) .
C33 C35 2.03(2) .
C34 C35 1.405(10) .
C34 C36 1.94(3) .
C35 C36 1.404(10) .
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
O3 Mo1 O1 K3 -176.2(6) . . . .
O2 Mo1 O1 K3 -105.7(7) . . . .
O4 Mo1 O1 K3 -138(2) . . . .
S15 Mo1 O1 K3 93.0(6) . . . .
S7 Mo1 O1 K3 -13.5(7) . . . .
Mo10 Mo1 O1 K3 39.9(7) . . . .
O8 Mo6 O10 K8 -96.0(7) . . . 3_655
O7 Mo6 O10 K8 -167.3(6) . . . 3_655
S10 Mo6 O10 K8 101.4(6) . . . 3_655
S9 Mo6 O10 K8 -4.5(7) . . . 3_655
Mo11 Mo6 O10 K8 48.7(6) . . . 3_655
K8 Mo6 O10 K8 110.4(9) . . . 3_655
O8 Mo6 O10 K8 153.5(6) . . . .
O7 Mo6 O10 K8 82.3(7) . . . .
S10 Mo6 O10 K8 -9.0(7) . . . .
S9 Mo6 O10 K8 -114.9(6) . . . .
Mo11 Mo6 O10 K8 -61.8(6) . . . .
K8 Mo6 O10 K8 -110.4(9) 3_655 . . .
O13 Mo11 O11 K8 177.6(6) . . . 3_655
O14 Mo11 O11 K8 99.1(6) . . . 3_655
S10 Mo11 O11 K8 -95.5(6) . . . 3_655
S9 Mo11 O11 K8 10.4(6) . . . 3_655
O12 Mo11 O11 K8 137.2(17) . . . 3_655
Mo6 Mo11 O11 K8 -42.5(6) . . . 3_655
O15 Mo2 O16 K1 175.0(6) . . . .
O18 Mo2 O16 K1 99.4(7) . . . .
S11 Mo2 O16 K1 11.1(7) . . . .
S1 Mo2 O16 K1 -94.5(6) . . . .
O17 Mo2 O16 K1 137.1(19) . . . .
Mo13 Mo2 O16 K1 -41.7(6) . . . .
O21 Mo13 O19 K4 18.4(10) . . . .
O20 Mo13 O19 K4 -52.2(10) . . . .
O22 Mo13 O19 K4 -19(3) . . . .
S11 Mo13 O19 K4 109.8(8) . . . .
S1 Mo13 O19 K4 -143.9(8) . . . .
Mo2 Mo13 O19 K4 162.9(8) . . . .
K1 Mo13 O19 K4 125.1(12) . . . .
O21 Mo13 O19 K1 -106.7(6) . . . .
O20 Mo13 O19 K1 -177.3(6) . . . .
O22 Mo13 O19 K1 -144(2) . . . .
S11 Mo13 O19 K1 -15.3(7) . . . .
S1 Mo13 O19 K1 90.9(6) . . . .
Mo2 Mo13 O19 K1 37.7(6) . . . .
O20 Mo12 O23 K3 32.8(12) . . . 4_556
O21 Mo12 O23 K3 -37.8(12) . . . 4_556
S12 Mo12 O23 K3 124.2(10) . . . 4_556
S13 Mo12 O23 K3 -129.4(10) . . . 4_556
O22 Mo12 O23 K3 -4(3) . . . 4_556
Mo15 Mo12 O23 K3 177.2(9) . . . 4_556
O26 Mo9 O28 K2 165.2(6) . . . .
O25 Mo9 O28 K2 95.2(6) . . . .
O27 Mo9 O28 K2 126(2) . . . .
S16 Mo9 O28 K2 -103.7(6) . . . .
S4 Mo9 O28 K2 2.4(7) . . . .
Mo5 Mo9 O28 K2 -50.7(6) . . . .
O32 Mo5 O29 K2 -175.9(5) . . . .
O31 Mo5 O29 K2 -99.5(6) . . . .
S16 Mo5 O29 K2 95.4(5) . . . .
S4 Mo5 O29 K2 -10.2(5) . . . .
O30 Mo5 O29 K2 -126(2) . . . .
Mo9 Mo5 O29 K2 42.5(5) . . . .
O34 Mo4 O35 K9 14.0(9) . . . 3_755
O33 Mo4 O35 K9 90.2(9) . . . 3_755
S6 Mo4 O35 K9 178.3(7) . . . 3_755
S2 Mo4 O35 K9 -76.0(8) . . . 3_755
O36 Mo4 O35 K9 57(3) . . . 3_755
Mo7 Mo4 O35 K9 -129.1(8) . . . 3_755
K9 Mo4 O35 K9 -72.7(9) . . . 3_755
K7 Mo4 O35 K9 -170.6(13) . . . 3_755
O34 Mo4 O35 K9 86.7(6) . . . .
O33 Mo4 O35 K9 162.9(5) . . . .
S6 Mo4 O35 K9 -109.0(5) . . . .
S2 Mo4 O35 K9 -3.3(6) . . . .
O36 Mo4 O35 K9 130.0(19) . . . .
Mo7 Mo4 O35 K9 -56.4(5) . . . .
K9 Mo4 O35 K9 72.7(9) 3_755 . . .
K7 Mo4 O35 K9 -97.9(7) . . . .
O34 Mo4 O35 K7 -175.4(6) . . . .
O33 Mo4 O35 K7 -99.2(6) . . . .
S6 Mo4 O35 K7 -11.1(7) . . . .
S2 Mo4 O35 K7 94.6(6) . . . .
O36 Mo4 O35 K7 -132.1(19) . . . .
Mo7 Mo4 O35 K7 41.5(6) . . . .
K9 Mo4 O35 K7 97.9(7) . . . .
K9 Mo4 O35 K7 170.6(13) 3_755 . . .
O39 Mo7 O37 K7 174.4(7) . . . .
O40 Mo7 O37 K7 102.9(7) . . . .
O38 Mo7 O37 K7 150(2) . . . .
S6 Mo7 O37 K7 12.1(7) . . . .
S2 Mo7 O37 K7 -94.1(7) . . . .
Mo4 Mo7 O37 K7 -40.9(7) . . . .
K9 Mo7 O37 K7 -89.6(7) . . . .
O39 Mo7 O37 K9 -96.0(6) . . . .
O40 Mo7 O37 K9 -167.5(5) . . . .
O38 Mo7 O37 K9 -120(3) . . . .
S6 Mo7 O37 K9 101.7(5) . . . .
S2 Mo7 O37 K9 -4.6(6) . . . .
Mo4 Mo7 O37 K9 48.7(5) . . . .
K7 Mo7 O37 K9 89.6(7) . . . .
O39 Mo16 O41 K2 174.0(8) . . . 2_755
O40 Mo16 O41 K2 -116.1(8) . . . 2_755
O38 Mo16 O41 K2 -139.0(16) . . . 2_755
S17 Mo16 O41 K2 -23.0(9) . . . 2_755
S8 Mo16 O41 K2 83.0(8) . . . 2_755
Mo14 Mo16 O41 K2 29.8(9) . . . 2_755
O44 Mo14 O42 K4 11.3(7) . . . 2_765
O43 Mo14 O42 K4 80.6(7) . . . 2_765
S17 Mo14 O42 K4 -80.3(6) . . . 2_765
S8 Mo14 O42 K4 173.5(5) . . . 2_765
O45 Mo14 O42 K4 40(3) . . . 2_765
Mo16 Mo14 O42 K4 -133.5(5) . . . 2_765
O44 Mo14 O42 K2 119.8(7) . . . 2_755
O43 Mo14 O42 K2 -170.9(6) . . . 2_755
S17 Mo14 O42 K2 28.1(7) . . . 2_755
S8 Mo14 O42 K2 -78.0(6) . . . 2_755
O45 Mo14 O42 K2 149(2) . . . 2_755
Mo16 Mo14 O42 K2 -25.0(7) . . . 2_755
K4 Mo14 O42 K2 108.4(9) 2_765 . . 2_755
O44 Mo14 O42 K3 -96.2(9) . . . 3_765
O43 Mo14 O42 K3 -26.9(10) . . . 3_765
S17 Mo14 O42 K3 172.1(7) . . . 3_765
S8 Mo14 O42 K3 66.0(9) . . . 3_765
O45 Mo14 O42 K3 -67(3) . . . 3_765
Mo16 Mo14 O42 K3 119.0(8) . . . 3_765
K4 Mo14 O42 K3 -107.5(11) 2_765 . . 3_765
O44 Mo8 O46 K1 -107.0(7) . . . 1_565
O43 Mo8 O46 K1 -176.6(6) . . . 1_565
O45 Mo8 O46 K1 -144(3) . . . 1_565
S5 Mo8 O46 K1 -14.8(7) . . . 1_565
S3 Mo8 O46 K1 90.5(6) . . . 1_565
Mo3 Mo8 O46 K1 37.7(7) . . . 1_565
O49 Mo3 O47 K1 177.0(7) . . . 1_565
O50 Mo3 O47 K1 99.5(7) . . . 1_565
S5 Mo3 O47 K1 11.3(7) . . . 1_565
S3 Mo3 O47 K1 -93.7(6) . . . 1_565
O48 Mo3 O47 K1 129.6(18) . . . 1_565
Mo8 Mo3 O47 K1 -41.0(6) . . . 1_565
K5 Mo3 O47 K1 140.7(5) . . . 1_565
O52 Mo10 O51 K3 -178.0(7) . . . .
O53 Mo10 O51 K3 103.7(7) . . . .
S15 Mo10 O51 K3 -90.9(6) . . . .
S7 Mo10 O51 K3 15.8(7) . . . .
O54 Mo10 O51 K3 134.4(14) . . . .
Mo1 Mo10 O51 K3 -37.6(7) . . . .
Mo1 O4 C1 C2 -174.9(15) . . . .
Mo17 O4 C1 C2 4(3) . . . .
Mo1 O4 C1 C4 0(4) . . . .
Mo17 O4 C1 C4 179.0(18) . . . .
Mo6 O9 C2 C1 -179.7(15) . . . .
Mo18 O9 C2 C1 5(3) . . . .
Mo6 O9 C2 C3 -5(4) . . . .
Mo18 O9 C2 C3 179.6(17) . . . .
O4 C1 C2 O9 -7(4) . . . .
C4 C1 C2 O9 177(2) . . . .
O4 C1 C2 C3 177(2) . . . .
C4 C1 C2 C3 0.7(16) . . . .
Mo11 O12 C3 C2 2(3) . . . .
K6 O12 C3 C2 143(2) . . . .
Mo11 O12 C3 C4 179.6(18) . . . .
K6 O12 C3 C4 -39(3) . . . .
O9 C2 C3 O12 2(4) . . . .
C1 C2 C3 O12 178(2) . . . .
O9 C2 C3 C4 -176(3) . . . .
C1 C2 C3 C4 -0.7(15) . . . .
Mo10 O54 C4 C1 -4(3) . . . .
Mo10 O54 C4 C3 177.4(17) . . . .
O4 C1 C4 O54 4(4) . . . .
C2 C1 C4 O54 -180(2) . . . .
O4 C1 C4 C3 -177(3) . . . .
C2 C1 C4 C3 -0.7(15) . . . .
O12 C3 C4 O54 1(4) . . . .
C2 C3 C4 O54 180(2) . . . .
O12 C3 C4 C1 -178(2) . . . .
C2 C3 C4 C1 0.7(15) . . . .
Mo11 O14 C5 C6 -172.2(16) . . . .
Mo11 O14 C5 C8 7(4) . . . .
Mo5 O32 C6 C5 -125(2) . . . .
Mo5 O32 C6 C7 56(3) . . . .
O14 C5 C6 O32 0(4) . . . .
C8 C5 C6 O32 -179(2) . . . .
C7 C5 C6 O32 -179(3) . . . .
O14 C5 C6 C7 179(2) . . . .
C8 C5 C6 C7 -0.3(17) . . . .
O14 C5 C6 C8 180(3) . . . .
C7 C5 C6 C8 0.3(17) . . . .
O32 C6 C7 O63 0(5) . . . .
C5 C6 C7 O63 -179(3) . . . .
C8 C6 C7 O63 -180(4) . . . .
O32 C6 C7 C8 179(2) . . . .
C5 C6 C7 C8 0.3(17) . . . .
O32 C6 C7 C5 179(3) . . . .
C8 C6 C7 C5 -0.3(17) . . . .
K8 O64 C8 C7 174.6(19) 3_655 . . .
K8 O64 C8 C5 -7(5) 3_655 . . .
O63 C7 C8 O64 -2(5) . . . .
C6 C7 C8 O64 178(2) . . . .
C5 C7 C8 O64 179(3) . . . .
O63 C7 C8 C5 179(3) . . . .
C6 C7 C8 C5 -0.3(17) . . . .
O63 C7 C8 C6 180(4) . . . .
C5 C7 C8 C6 0.3(17) . . . .
O14 C5 C8 O64 2(5) . . . .
C6 C5 C8 O64 -178(3) . . . .
C7 C5 C8 O64 -178(4) . . . .
O14 C5 C8 C7 -179(3) . . . .
C6 C5 C8 C7 0.3(17) . . . .
O14 C5 C8 C6 -180(100) . . . .
C7 C5 C8 C6 -0.3(17) . . . .
Mo2 O15 C9 C10 121(2) . . . .
K6 O15 C9 C10 -19(3) . . . .
Mo2 O15 C9 C12 -61(3) . . . .
K6 O15 C9 C12 160(3) . . . .
Mo2 O15 C9 K6 139.9(15) . . . .
Mo11 O13 C10 C9 168.1(16) . . . .
K6 O13 C10 C9 16(2) . . . .
Mo11 O13 C10 C11 -13(4) . . . .
K6 O13 C10 C11 -165(3) . . . .
Mo11 O13 C10 K6 151.6(15) . . . .
O15 C9 C10 O13 1(4) . . . .
C12 C9 C10 O13 -179(2) . . . .
C11 C9 C10 O13 179(100) . . . .
K6 C9 C10 O13 -14(2) . . . .
O15 C9 C10 C11 -179(2) . . . .
C12 C9 C10 C11 2.2(18) . . . .
K6 C9 C10 C11 166.4(13) . . . .
O15 C9 C10 C12 179(100) . . . .
C11 C9 C10 C12 -2.2(18) . . . .
K6 C9 C10 C12 164.2(15) . . . .
O15 C9 C10 K6 15(2) . . . .
C12 C9 C10 K6 -164.2(15) . . . .
C11 C9 C10 K6 -166.4(13) . . . .
K8 O58 C11 C10 52(5) . . . .
K8 O58 C11 C12 -134(3) . . . .
O13 C10 C11 O58 -5(5) . . . .
C9 C10 C11 O58 174(3) . . . .
C12 C10 C11 O58 176(4) . . . .
K6 C10 C11 O58 -146(3) . . . .
O13 C10 C11 C12 179(3) . . . .
C9 C10 C11 C12 -2.2(18) . . . .
K6 C10 C11 C12 38(5) . . . .
O13 C10 C11 C9 -179(100) . . . .
C12 C10 C11 C9 2.2(18) . . . .
K6 C10 C11 C9 40(4) . . . .
O15 C9 C12 O57 -2(5) . . . .
C10 C9 C12 O57 177(3) . . . .
C11 C9 C12 O57 179(100) . . . .
K6 C9 C12 O57 112(4) . . . .
O15 C9 C12 C11 179(3) . . . .
C10 C9 C12 C11 -2.2(18) . . . .
K6 C9 C12 C11 -67(5) . . . .
O15 C9 C12 C10 -179(100) . . . .
C11 C9 C12 C10 2.2(18) . . . .
K6 C9 C12 C10 -64(4) . . . .
O58 C11 C12 O57 7(6) . . . .
C10 C11 C12 O57 -177(3) . . . .
C9 C11 C12 O57 -179(100) . . . .
O58 C11 C12 C9 -174(3) . . . .
C10 C11 C12 C9 2.2(18) . . . .
O58 C11 C12 C10 -176(4) . . . .
C9 C11 C12 C10 -2.2(18) . . . .
Mo9 O27 C13 C14 -176.2(16) . . . .
Mo15 O27 C13 C14 1(3) . . . .
Mo9 O27 C13 C16 2(4) . . . .
Mo15 O27 C13 C16 179.3(18) . . . .
Mo13 O22 C14 C13 -179.1(15) . . . .
Mo12 O22 C14 C13 -1(3) . . . .
Mo13 O22 C14 C15 0(4) . . . .
Mo12 O22 C14 C15 178.6(19) . . . .
O27 C13 C14 O22 -1(4) . . . .
C16 C13 C14 O22 -180(2) . . . .
C15 C13 C14 O22 180(3) . . . .
O27 C13 C14 C15 179(2) . . . .
C16 C13 C14 C15 0.4(16) . . . .
O27 C13 C14 C16 179(3) . . . .
C15 C13 C14 C16 -0.4(16) . . . .
Mo2 O17 C15 C14 0(3) . . . .
K6 O17 C15 C14 168.6(16) . . . .
Mo2 O17 C15 C16 -179(2) . . . .
K6 O17 C15 C16 -11(4) . . . .
O22 C14 C15 O17 0(4) . . . .
C13 C14 C15 O17 180(2) . . . .
C16 C14 C15 O17 -180(3) . . . .
O22 C14 C15 C16 180(3) . . . .
C13 C14 C15 C16 -0.4(16) . . . .
O22 C14 C15 C13 -180(100) . . . .
C16 C14 C15 C13 0.4(16) . . . .
Mo5 O30 C16 C13 -8(3) . . . .
Mo5 O30 C16 C15 174.2(18) . . . .
O27 C13 C16 O30 2(4) . . . .
C14 C13 C16 O30 -179(2) . . . .
C15 C13 C16 O30 -178(3) . . . .
O27 C13 C16 C15 -179(2) . . . .
C14 C13 C16 C15 -0.4(16) . . . .
O27 C13 C16 C14 -179(3) . . . .
C15 C13 C16 C14 0.4(16) . . . .
O17 C15 C16 O30 -1(4) . . . .
C14 C15 C16 O30 179(2) . . . .
C13 C15 C16 O30 178(3) . . . .
O17 C15 C16 C13 -180(3) . . . .
C14 C15 C16 C13 0.3(16) . . . .
O17 C15 C16 C14 180(3) . . . .
C13 C15 C16 C14 -0.3(16) . . . .
Mo3 O50 C17 C18 -178.0(16) . . . .
K5 O50 C17 C18 0(3) . . . .
Mo3 O50 C17 C20 12(3) . . . .
K5 O50 C17 C20 -170.2(18) . . . .
Mo5 O31 C18 C17 -174.7(16) . . . .
Mo5 O31 C18 C19 7(3) . . . .
O50 C17 C18 O31 7(4) . . . .
C20 C17 C18 O31 180(2) . . . .
C19 C17 C18 O31 -179(3) . . . .
O50 C17 C18 C19 -175(2) . . . .
C20 C17 C18 C19 -1.2(16) . . . .
O50 C17 C18 C20 -173(3) . . . .
C19 C17 C18 C20 1.2(16) . . . .
K2 O65 C19 C20 -178.4(18) . . . .
K4 O65 C19 C20 -3(3) 1_565 . . .
K2 O65 C19 C18 1(5) . . . .
K4 O65 C19 C18 176(2) 1_565 . . .
K2 O65 C19 K4 -175(3) . . . 1_565
O31 C18 C19 O65 1(4) . . . .
C17 C18 C19 O65 -178(3) . . . .
C20 C18 C19 O65 -179(3) . . . .
O31 C18 C19 C20 -180(2) . . . .
C17 C18 C19 C20 1.2(16) . . . .
O31 C18 C19 C17 179(3) . . . .
C20 C18 C19 C17 -1.2(16) . . . .
O31 C18 C19 K4 169(3) . . . 1_565
C17 C18 C19 K4 -10(5) . . . 1_565
C20 C18 C19 K4 -11(4) . . . 1_565
K1 O66 C20 C17 30(5) 1_565 . . .
K4 O66 C20 C17 -174(2) 1_565 . . .
K1 O66 C20 C19 -151.4(19) 1_565 . . .
K4 O66 C20 C19 5(3) 1_565 . . .
K1 O66 C20 K4 -156(3) 1_565 . . 1_565
O50 C17 C20 O66 -7(5) . . . .
C18 C17 C20 O66 -180(3) . . . .
C19 C17 C20 O66 179(4) . . . .
O50 C17 C20 C19 174(2) . . . .
C18 C17 C20 C19 1.2(16) . . . .
O50 C17 C20 C18 173(3) . . . .
C19 C17 C20 C18 -1.2(16) . . . .
O65 C19 C20 O66 -1(4) . . . .
C18 C19 C20 O66 180(2) . . . .
C17 C19 C20 O66 -179(3) . . . .
K4 C19 C20 O66 -4(2) 1_565 . . .
O65 C19 C20 C17 178(2) . . . .
C18 C19 C20 C17 -1.2(16) . . . .
K4 C19 C20 C17 175.6(13) 1_565 . . .
O65 C19 C20 C18 180(3) . . . .
C17 C19 C20 C18 1.2(16) . . . .
K4 C19 C20 C18 176.8(12) 1_565 . . .
O65 C19 C20 K4 3(2) . . . 1_565
C18 C19 C20 K4 -176.8(12) . . . 1_565
C17 C19 C20 K4 -175.6(13) . . . 1_565
Mo4 O34 C21 C24 43(3) . . . .
Mo4 O34 C21 C22 -139.6(19) . . . .
Mo10 O53 C22 C21 179.5(15) . . . .
Mo10 O53 C22 C23 -3(3) . . . .
O34 C21 C22 O53 1(4) . . . .
C24 C21 C22 O53 179(2) . . . .
C23 C21 C22 O53 178(3) . . . .
O34 C21 C22 C23 -178(2) . . . .
C24 C21 C22 C23 0.4(16) . . . .
O34 C21 C22 C24 -178(3) . . . .
C23 C21 C22 C24 -0.4(16) . . . .
K3 O61 C23 C24 -175.4(18) . . . .
K7 O61 C23 C24 29(3) 3_755 . . .
K3 O61 C23 C22 2(5) . . . .
K7 O61 C23 C22 -154(2) 3_755 . . .
K3 O61 C23 K7 155(3) . . . 3_755
O53 C22 C23 O61 4(5) . . . .
C21 C22 C23 O61 -178(3) . . . .
C24 C22 C23 O61 -178(3) . . . .
O53 C22 C23 C24 -178(3) . . . .
C21 C22 C23 C24 -0.4(16) . . . .
O53 C22 C23 C21 -178(3) . . . .
C24 C22 C23 C21 0.4(16) . . . .
O53 C22 C23 K7 -126(2) . . . 3_755
C21 C22 C23 K7 52(3) . . . 3_755
C24 C22 C23 K7 52.4(19) . . . 3_755
K7 O62 C24 C21 145(2) 3_755 . . .
K9 O62 C24 C21 38(3) 3_755 . . .
K9 O62 C24 C21 -43(4) . . . .
K7 O62 C24 C23 -25(3) 3_755 . . .
K9 O62 C24 C23 -132(2) 3_755 . . .
K9 O62 C24 C23 148(2) . . . .
K9 O62 C24 K7 -106.8(11) 3_755 . . 3_755
K9 O62 C24 K7 172(2) . . . 3_755
K7 O62 C24 K9 106.8(11) 3_755 . . 3_755
K9 O62 C24 K9 -80.7(15) . . . 3_755
O34 C21 C24 O62 5(4) . . . .
C22 C21 C24 O62 -173(3) . . . .
C23 C21 C24 O62 -173(4) . . . .
O34 C21 C24 C23 178(2) . . . .
C22 C21 C24 C23 -0.4(16) . . . .
O34 C21 C24 C22 178(3) . . . .
C23 C21 C24 C22 0.4(16) . . . .
O34 C21 C24 K7 98(3) . . . 3_755
C22 C21 C24 K7 -80(3) . . . 3_755
C23 C21 C24 K7 -79(3) . . . 3_755
O34 C21 C24 K9 32(3) . . . 3_755
C22 C21 C24 K9 -146.2(12) . . . 3_755
C23 C21 C24 K9 -145.9(15) . . . 3_755
O61 C23 C24 O62 -9(4) . . . .
C22 C23 C24 O62 173(3) . . . .
C21 C23 C24 O62 173(3) . . . .
K7 C23 C24 O62 19(2) 3_755 . . .
O61 C23 C24 C21 178(2) . . . .
C22 C23 C24 C21 0.4(16) . . . .
K7 C23 C24 C21 -153.3(14) 3_755 . . .
O61 C23 C24 C22 178(3) . . . .
C21 C23 C24 C22 -0.4(16) . . . .
K7 C23 C24 C22 -153.7(12) 3_755 . . .
O61 C23 C24 K7 -28(2) . . . 3_755
C22 C23 C24 K7 153.7(12) . . . 3_755
C21 C23 C24 K7 153.3(14) . . . 3_755
O61 C23 C24 K9 -83(3) . . . 3_755
C22 C23 C24 K9 99(2) . . . 3_755
C21 C23 C24 K9 99(2) . . . 3_755
K7 C23 C24 K9 -54.4(16) 3_755 . . 3_755
Mo10 O52 C25 C26 178.3(17) . . . .
K5 O52 C25 C26 8(3) . . . .
Mo10 O52 C25 C27 1(4) . . . .
K5 O52 C25 C27 -169(2) . . . .
Mo10 O52 C25 K5 170.0(16) . . . .
Mo3 O49 C26 C28 -43(4) . . . .
K5 O49 C26 C28 169(3) . . . .
Mo3 O49 C26 C25 135.4(18) . . . .
K5 O49 C26 C25 -12(3) . . . .
Mo3 O49 C26 K5 147.9(19) . . . .
O52 C25 C26 O49 2(4) . . . .
C27 C25 C26 O49 -179(2) . . . .
K5 C25 C26 O49 10(2) . . . .
O52 C25 C26 C28 -179(2) . . . .
C27 C25 C26 C28 -0.5(17) . . . .
K5 C25 C26 C28 -171.5(14) . . . .
O52 C25 C26 K5 -7(2) . . . .
C27 C25 C26 K5 171.0(13) . . . .
O52 C25 C27 O56 -6(5) . . . .
C26 C25 C27 O56 176(3) . . . .
K5 C25 C27 O56 -154(3) . . . .
O52 C25 C27 C28 179(3) . . . .
C26 C25 C27 C28 0.5(17) . . . .
K5 C25 C27 C28 31(5) . . . .
O49 C26 C28 O55 1(5) . . . .
C25 C26 C28 O55 -178(3) . . . .
K5 C26 C28 O55 138(6) . . . .
O49 C26 C28 C27 179(3) . . . .
C25 C26 C28 C27 0.5(18) . . . .
K5 C26 C28 C27 -44(8) . . . .
O56 C27 C28 O55 2(5) . . . .
C25 C27 C28 O55 178(3) . . . .
O56 C27 C28 C26 -176(3) . . . .
C25 C27 C28 C26 -0.5(17) . . . .
Mo7 O38 C29 C30 -173.2(16) . . . .
Mo16 O38 C29 C30 7(3) . . . .
Mo7 O38 C29 C31 3(4) . . . .
Mo16 O38 C29 C31 -176.6(17) . . . .
Mo8 O45 C30 C29 -177.7(16) . . . .
Mo14 O45 C30 C29 -9(3) . . . .
Mo8 O45 C30 C32 7(3) . . . .
Mo14 O45 C30 C32 175.8(15) . . . .
O38 C29 C30 O45 0(4) . . . .
C31 C29 C30 O45 -177(2) . . . .
O38 C29 C30 C32 177(2) . . . .
C31 C29 C30 C32 -0.8(16) . . . .
Mo4 O36 C31 C29 -12(3) . . . .
Mo4 O36 C31 C32 166.7(17) . . . .
O38 C29 C31 O36 3(4) . . . .
C30 C29 C31 O36 -180(2) . . . .
O38 C29 C31 C32 -177(3) . . . .
C30 C29 C31 C32 0.8(15) . . . .
Mo3 O48 C32 C30 2(3) . . . .
K5 O48 C32 C30 171.3(17) . . . .
Mo3 O48 C32 C31 -178.9(16) . . . .
K5 O48 C32 C31 -10(4) . . . .
O45 C30 C32 O48 -3(4) . . . .
C29 C30 C32 O48 -180(100) . . . .
O45 C30 C32 C31 177(2) . . . .
C29 C30 C32 C31 0.7(15) . . . .
O36 C31 C32 O48 1(4) . . . .
C29 C31 C32 O48 180(2) . . . .
O36 C31 C32 C30 180(2) . . . .
C29 C31 C32 C30 -0.7(15) . . . .
Mo4 O33 C33 C36 8(3) . . . .
Mo4 O33 C33 C34 -175.0(17) . . . .
Mo2 O18 C34 C33 -179.7(16) . . . .
K6 O18 C34 C33 10(3) . . . .
Mo2 O18 C34 C35 7(3) . . . .
K6 O18 C34 C35 -162.8(19) . . . .
O33 C33 C34 O18 4(4) . . . .
C36 C33 C34 O18 -178(2) . . . .
C35 C33 C34 O18 -175(3) . . . .
O33 C33 C34 C35 180(2) . . . .
C36 C33 C34 C35 -2.3(18) . . . .
O33 C33 C34 C36 -178(3) . . . .
C35 C33 C34 C36 2.3(18) . . . .
K1 O60 C35 C36 -172(2) . . . .
K1 O60 C35 C34 9(6) . . . .
O18 C34 C35 O60 -4(5) . . . .
C33 C34 C35 O60 -179(3) . . . .
C36 C34 C35 O60 179(100) . . . .
O18 C34 C35 C36 177(3) . . . .
C33 C34 C35 C36 2.3(18) . . . .
O18 C34 C35 C33 175(3) . . . .
C36 C34 C35 C33 -2.3(18) . . . .
K7 O59 C36 C33 -30(6) . . . .
K7 O59 C36 C35 150(3) . . . .
O33 C33 C36 O59 0(5) . . . .
C34 C33 C36 O59 -178(3) . . . .
C35 C33 C36 O59 180(100) . . . .
O33 C33 C36 C35 -180(2) . . . .
C34 C33 C36 C35 2.3(18) . . . .
O33 C33 C36 C34 178(3) . . . .
C35 C33 C36 C34 -2.3(18) . . . .
O60 C35 C36 O59 -1(5) . . . .
C34 C35 C36 O59 178(3) . . . .
C33 C35 C36 O59 -180(100) . . . .
O60 C35 C36 C33 178(3) . . . .
C34 C35 C36 C33 -2.3(18) . . . .
O60 C35 C36 C34 -179(100) . . . .
C33 C35 C36 C34 2.3(18) . . . .
C38 N1 C39 O68 5(4) . . . .
C37 N1 C39 O68 180(3) . . . .
C47 N4 C49 O90 4(4) . . . .
C48 N4 C49 O90 -174(2) . . . .
K5 O127 C50 N2 102(5) . . . .
C41 N2 C50 O127 165(5) . . . .
C40 N2 C50 O127 -21(7) . . . .
C41 N2 C50 K5 -148(4) . . . .
C40 N2 C50 K5 25(5) . . . .
