#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:06:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179362 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/59/4325956.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_4325956
loop_
_publ_author_name
'Guillaume Rousseau'
'Olivier Oms'
'Anne Dolbecq'
'Jérôme Marrot'
'Pierre Mialane'
_publ_contact_author
; 
      Pr P. Mialane
      Institut Lavoisier de Versailles, ILV, UMR CNRS 8180
      Université de Versailles Saint-Quentin-en-Yvelines
      45 Avenue des Etats Unis
      78035 Versailles Cedex
      France
;
_publ_contact_author_email       mialane@chimie.uvsq.fr
_publ_contact_author_fax         '(33) 1 39 25 43 81'
_publ_contact_author_phone       '(33) 1 39 25 43 83 '
_publ_section_title
;
 Route for the Elaboration of Functionalized Hybrid 3d-Substituted
 Trivacant Keggin Anions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7376
_journal_page_last               7378
_journal_paper_doi               10.1021/ic2011088
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C18 H15 K7 Na Ni4 O53 S3 Si W9'
_chemical_formula_weight         3389.75
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.8040(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.3039(3)
_cell_length_b                   19.2841(4)
_cell_length_c                   13.9852(3)
_cell_measurement_reflns_used    9280
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      2.48
_cell_volume                     3316.62(13)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 512x512
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            113725
_diffrn_reflns_theta_full        30.01
_diffrn_reflns_theta_max         30.01
_diffrn_reflns_theta_min         1.66
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    17.306
_exptl_absorpt_correction_T_max  0.2765
_exptl_absorpt_correction_T_min  0.2305
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, V2.10)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.394
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             3062
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.537
_refine_diff_density_min         -1.659
_refine_diff_density_rms         0.233
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.000(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     893
_refine_ls_number_reflns         19337
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0219P)²+32.8262P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0724
_refine_ls_wR_factor_ref         0.0742
_reflns_number_gt                18308
_reflns_number_total             19337
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2011088_si_002_3.cif
_cod_data_source_block           3
_cod_database_code               4325956
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W 0.70540(3) 0.413948(17) 0.36199(2) 0.02309(7) Uani 1 1 d .
W2 W 0.90161(3) 0.499178(17) 0.49048(3) 0.02461(7) Uani 1 1 d .
W3 W 0.70971(3) 0.407442(18) 0.60342(3) 0.02439(7) Uani 1 1 d .
W4 W 0.71179(3) 0.213060(18) 0.58851(3) 0.02544(7) Uani 1 1 d .
W5 W 0.71026(3) 0.219413(17) 0.34928(2) 0.02275(7) Uani 1 1 d .
W6 W 0.91896(3) 0.323491(18) 0.22475(2) 0.02371(7) Uani 1 1 d .
W7 W 1.11373(3) 0.406373(17) 0.35398(3) 0.02333(7) Uani 1 1 d .
W8 W 1.11789(3) 0.397416(18) 0.62089(3) 0.02381(7) Uani 1 1 d .
W9 W 0.92796(3) 0.305168(18) 0.73250(2) 0.02395(7) Uani 1 1 d .
Ni1 Ni 0.90035(9) 0.14018(6) 0.46739(8) 0.0231(2) Uani 1 1 d .
Ni2 Ni 1.10554(9) 0.24074(5) 0.34290(8) 0.0227(2) Uani 1 1 d .
Ni3 Ni 1.11019(9) 0.23287(6) 0.60699(8) 0.0230(2) Uani 1 1 d .
Ni4 Ni 1.13935(9) 0.12049(5) 0.46936(8) 0.0237(2) Uani 1 1 d .
Si1 Si 0.91224(18) 0.31585(10) 0.47897(17) 0.0115(3) Uani 1 1 d .
O1 O 0.6051(5) 0.4456(4) 0.2870(5) 0.0313(14) Uani 1 1 d .
O2 O 0.6675(5) 0.3208(3) 0.3673(4) 0.0228(12) Uani 1 1 d .
O3 O 0.8147(5) 0.3944(3) 0.2776(4) 0.0271(12) Uani 1 1 d .
O4 O 0.7830(5) 0.5007(3) 0.3940(5) 0.0276(13) Uani 1 1 d .
O5 O 0.6333(5) 0.4270(3) 0.4836(5) 0.0259(12) Uani 1 1 d .
O6 O 0.8347(5) 0.3858(3) 0.4830(4) 0.0229(11) Uani 1 1 d .
O7 O 0.9259(6) 0.5880(3) 0.4963(6) 0.0340(15) Uani 1 1 d .
O8 O 0.9958(5) 0.4710(3) 0.3969(5) 0.0270(12) Uani 1 1 d .
O9 O 0.9979(5) 0.4648(3) 0.5838(5) 0.0291(13) Uani 1 1 d .
O10 O 0.7865(5) 0.4948(3) 0.5836(5) 0.0296(13) Uani 1 1 d .
O11 O 0.6108(6) 0.4342(4) 0.6800(5) 0.0377(16) Uani 1 1 d .
O12 O 0.8212(5) 0.3793(3) 0.6862(4) 0.0259(12) Uani 1 1 d .
O13 O 0.6702(5) 0.3138(3) 0.5852(5) 0.0270(13) Uani 1 1 d .
O14 O 0.6107(5) 0.1865(4) 0.6638(5) 0.0336(15) Uani 1 1 d .
O15 O 0.7824(5) 0.1316(3) 0.5677(5) 0.0286(13) Uani 1 1 d .
O16 O 0.8203(5) 0.2437(3) 0.6813(4) 0.0253(12) Uani 1 1 d .
O17 O 0.6322(5) 0.2082(3) 0.4683(5) 0.0286(13) Uani 1 1 d .
O18 O 0.8354(5) 0.2469(3) 0.4731(4) 0.0214(11) Uani 1 1 d .
O19 O 0.7790(5) 0.1384(3) 0.3643(5) 0.0305(13) Uani 1 1 d .
O20 O 0.6050(5) 0.1989(4) 0.2696(5) 0.0312(14) Uani 1 1 d .
O21 O 0.8151(5) 0.2580(3) 0.2657(5) 0.0275(12) Uani 1 1 d .
O22 O 0.8782(6) 0.3381(4) 0.1063(5) 0.0335(14) Uani 1 1 d .
O23 O 1.0240(5) 0.2599(3) 0.2124(5) 0.0296(13) Uani 1 1 d .
O24 O 1.0241(5) 0.3998(3) 0.2384(4) 0.0268(12) Uani 1 1 d .
O25 O 0.9846(4) 0.3200(3) 0.3834(4) 0.0218(11) Uani 1 1 d .
O26 O 1.2026(5) 0.4709(3) 0.3218(5) 0.0352(15) Uani 1 1 d .
O27 O 1.1907(5) 0.3315(3) 0.3248(5) 0.0289(13) Uani 1 1 d .
O28 O 1.1456(5) 0.4001(3) 0.4871(4) 0.0241(12) Uani 1 1 d .
O29 O 1.2085(5) 0.4603(3) 0.6618(5) 0.0330(15) Uani 1 1 d .
O30 O 1.1971(5) 0.3197(3) 0.6423(5) 0.0283(13) Uani 1 1 d .
O31 O 1.0313(5) 0.3823(3) 0.7334(5) 0.0283(13) Uani 1 1 d .
O32 O 0.9895(4) 0.3139(3) 0.5765(4) 0.0219(11) Uani 1 1 d .
O33 O 1.0341(5) 0.2422(3) 0.7357(5) 0.0290(13) Uani 1 1 d .
O34 O 0.8928(6) 0.3091(4) 0.8527(5) 0.0358(15) Uani 1 1 d .
O35 O 1.0195(5) 0.1552(3) 0.3746(4) 0.0240(12) Uani 1 1 d .
O36 O 1.0233(4) 0.1495(3) 0.5650(4) 0.0238(12) Uani 1 1 d .
O37 O 0.9181(6) 0.0331(3) 0.4644(6) 0.0394(17) Uani 1 1 d .
O38 O 1.2253(6) 0.1868(3) 0.2748(6) 0.0358(16) Uani 1 1 d .
O39 O 1.1725(5) 0.2249(3) 0.4756(4) 0.0238(12) Uani 1 1 d .
O40 O 1.2316(6) 0.1761(4) 0.6749(5) 0.0339(15) Uani 1 1 d .
O41 O 1.0969(6) 0.0184(3) 0.4657(5) 0.0340(15) Uani 1 1 d .
O42 O 1.2531(5) 0.0968(3) 0.3710(5) 0.0305(13) Uani 1 1 d .
O43 O 1.2577(6) 0.0911(3) 0.5701(5) 0.0377(16) Uani 1 1 d .
S1 S 1.2430(4) -0.2047(2) 0.5041(5) 0.0925(16) Uani 1 1 d .
S2 S 1.5343(4) -0.0694(2) 0.6226(4) 0.0766(12) Uani 1 1 d .
S3 S 1.5384(4) -0.0574(2) 0.3124(4) 0.0852(14) Uani 1 1 d .
C1 C 1.0026(8) -0.0026(5) 0.4668(7) 0.0296(18) Uani 1 1 d .
C2 C 0.9834(9) -0.0796(5) 0.4840(8) 0.039(2) Uani 1 1 d .
H2A H 0.9586 -0.0857 0.5486 0.047 Uiso 1 1 calc R
H2B H 0.9257 -0.0954 0.4404 0.047 Uiso 1 1 calc R
C3 C 1.0813(8) -0.1241(4) 0.4712(7) 0.033(2) Uani 1 1 d .
C4 C 1.1405(14) -0.1540(7) 0.5439(9) 0.063(4) Uani 1 1 d .
H4 H 1.1265 -0.1475 0.6083 0.075 Uiso 1 1 calc R
C5 C 1.2144(11) -0.1878(7) 0.3925(12) 0.059(4) Uani 1 1 d .
H5 H 1.2506 -0.2068 0.3413 0.071 Uiso 1 1 calc R
C6 C 1.1263(10) -0.1399(6) 0.3834(8) 0.043(3) Uani 1 1 d .
H6 H 1.1016 -0.1212 0.3254 0.052 Uiso 1 1 calc R
C7 C 1.2750(7) 0.1217(5) 0.6471(7) 0.0306(18) Uani 1 1 d .
C8 C 1.3629(11) 0.0924(6) 0.7138(9) 0.051(3) Uani 1 1 d .
H8A H 1.4207 0.1264 0.7198 0.061 Uiso 1 1 calc R
H8B H 1.3325 0.0870 0.7765 0.061 Uiso 1 1 calc R
C9 C 1.4127(9) 0.0245(5) 0.6867(8) 0.040(2) Uani 1 1 d .
C10 C 1.3625(12) -0.0382(7) 0.7036(10) 0.056(3) Uani 1 1 d .
H10 H 1.2962 -0.0422 0.7332 0.068 Uiso 1 1 calc R
C11 C 1.4209(12) -0.0941(6) 0.6717(10) 0.059(4) Uani 1 1 d .
H11 H 1.3990 -0.1400 0.6773 0.070 Uiso 1 1 calc R
C12 C 1.5072(10) 0.0164(7) 0.6448(12) 0.063(4) Uani 1 1 d .
H12 H 1.5531 0.0528 0.6293 0.075 Uiso 1 1 calc R
C13 C 1.2711(8) 0.1325(5) 0.2981(7) 0.034(2) Uani 1 1 d .
C14 C 1.3603(9) 0.1086(6) 0.2321(9) 0.043(3) Uani 1 1 d .
H14A H 1.4176 0.1431 0.2333 0.052 Uiso 1 1 calc R
H14B H 1.3302 0.1064 0.1672 0.052 Uiso 1 1 calc R
C15 C 1.4108(9) 0.0373(6) 0.2578(9) 0.042(3) Uani 1 1 d .
C16 C 1.3566(12) -0.0251(7) 0.2347(10) 0.054(3) Uani 1 1 d .
H16 H 1.2881 -0.0281 0.2050 0.065 Uiso 1 1 calc R
C17 C 1.4222(13) -0.0831(7) 0.2635(10) 0.063(4) Uani 1 1 d .
H17 H 1.4018 -0.1292 0.2555 0.076 Uiso 1 1 calc R
C18 C 1.5104(13) 0.0290(7) 0.2995(14) 0.074(4) Uani 1 1 d .
H18 H 1.5568 0.0648 0.3184 0.089 Uiso 1 1 calc R
K1 K 1.3076(2) -0.02269(13) 0.46731(19) 0.0455(5) Uani 1 1 d .
K2 K 0.40682(17) 0.49881(12) 0.26610(19) 0.0401(5) Uani 1 1 d .
K3 K 0.41169(19) 0.47724(15) 0.7222(2) 0.0502(6) Uani 1 1 d .
K4 K 0.1501(3) 0.59894(16) 0.5970(2) 0.0587(7) Uani 1 1 d .
K5 K 1.2353(4) 0.2557(2) 0.8314(3) 0.0891(12) Uani 1 1 d .
K6 K 0.6779(5) 0.6216(2) 0.5952(3) 0.0982(14) Uani 1 1 d .
K7 K 0.0835(8) 0.6984(4) 0.2815(6) 0.128(3) Uani 0.75 1 d P
K8 K 0.7132(10) 0.9908(7) 0.4808(14) 0.080(5) Uani 0.25 1 d P
Na1 Na 0.4992(5) 0.3233(3) 0.4727(4) 0.0540(13) Uani 1 1 d .
O1W O 0.4074(8) 0.3546(7) 0.3201(13) 0.105(5) Uani 1 1 d .
O2W O 0.2004(9) 0.6094(6) 0.4047(8) 0.077(3) Uani 1 1 d .
O3W O 1.2163(10) 0.1592(6) 0.9713(10) 0.085(3) Uani 1 1 d .
O4W O 0.7908(10) 0.7427(6) 0.6132(8) 0.078(3) Uani 1 1 d .
O5W O 0.6641(9) 0.6190(5) 0.3930(7) 0.069(3) Uani 1 1 d .
O6W O 1.0417(9) 0.2496(7) 1.0006(8) 0.084(4) Uani 1 1 d .
O7W O 0.4177(13) 0.1968(9) 0.4835(18) 0.130(6) Uani 1 1 d .
O8W O 0.0100(9) 0.6993(6) 0.6518(9) 0.080(3) Uani 1 1 d .
O9W O 1.4349(18) 0.2766(9) 0.9320(15) 0.066(5) Uani 0.50 1 d P
O10W O -0.0821(13) 0.7037(16) 0.146(2) 0.105(10) Uani 0.50 1 d P
O11W O 0.9559(19) 0.4541(15) -0.0244(18) 0.088(7) Uani 0.50 1 d P
O12W O 0.3898(15) 0.4249(18) 0.5180(17) 0.104(10) Uani 0.50 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
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 W1 O3 101.9(3) . .
O1 W1 O2 101.1(3) . .
O3 W1 O2 91.0(3) . .
O1 W1 O5 98.6(3) . .
O3 W1 O5 159.3(3) . .
O2 W1 O5 88.2(3) . .
O1 W1 O4 99.9(3) . .
O3 W1 O4 87.8(3) . .
O2 W1 O4 158.8(3) . .
O5 W1 O4 85.6(3) . .
O1 W1 O6 170.1(3) . .
O3 W1 O6 85.6(2) . .
O2 W1 O6 85.0(2) . .
O5 W1 O6 73.7(2) . .
O4 W1 O6 73.7(2) . .
O1 W1 Na1 86.0(2) . .
O3 W1 Na1 137.1(2) . .
O2 W1 Na1 46.3(2) . .
O5 W1 Na1 47.36(19) . .
O4 W1 Na1 132.8(2) . .
O6 W1 Na1 92.87(17) . .
O1 W1 K4 46.6(2) . 2_564
O3 W1 K4 58.1(2) . 2_564
O2 W1 K4 86.44(19) . 2_564
O5 W1 K4 142.41(18) . 2_564
O4 W1 K4 110.6(2) . 2_564
O6 W1 K4 142.49(16) . 2_564
Na1 W1 K4 107.07(10) . 2_564
O1 W1 K3 88.2(2) . 2_564
O3 W1 K3 44.70(19) . 2_564
O2 W1 K3 135.57(18) . 2_564
O5 W1 K3 133.71(18) . 2_564
O4 W1 K3 48.2(2) . 2_564
O6 W1 K3 92.81(15) . 2_564
Na1 W1 K3 174.19(10) . 2_564
K4 W1 K3 68.81(7) 2_564 2_564
O7 W2 O8 102.2(3) . .
O7 W2 O9 102.3(3) . .
O8 W2 O9 89.6(3) . .
O7 W2 O10 98.0(3) . .
O8 W2 O10 159.7(3) . .
O9 W2 O10 88.6(3) . .
O7 W2 O4 98.1(3) . .
O8 W2 O4 89.2(3) . .
O9 W2 O4 159.3(3) . .
O10 W2 O4 85.4(3) . .
O7 W2 O6 169.3(3) . .
O8 W2 O6 85.5(2) . .
O9 W2 O6 85.1(2) . .
O10 W2 O6 74.2(2) . .
O4 W2 O6 74.3(2) . .
O7 W2 K3 85.2(3) . 2_564
O8 W2 K3 45.22(19) . 2_564
O9 W2 K3 134.4(2) . 2_564
O10 W2 K3 135.4(2) . 2_564
O4 W2 K3 50.33(19) . 2_564
O6 W2 K3 95.20(15) . 2_564
O7 W2 K2 86.9(3) . 2_565
O8 W2 K2 135.82(19) . 2_565
O9 W2 K2 46.4(2) . 2_565
O10 W2 K2 47.47(19) . 2_565
O4 W2 K2 132.72(19) . 2_565
O6 W2 K2 92.79(15) . 2_565
K3 W2 K2 172.00(6) 2_564 2_565
O7 W2 K4 50.2(2) . 1_655
O8 W2 K4 85.05(19) . 1_655
O9 W2 K4 55.1(2) . 1_655
O10 W2 K4 110.19(19) . 1_655
O4 W2 K4 145.21(18) . 1_655
O6 W2 K4 139.01(15) . 1_655
K3 W2 K4 105.76(6) 2_564 1_655
K2 W2 K4 67.79(6) 2_565 1_655
O7 W2 K6 61.0(3) . .
O8 W2 K6 153.6(2) . .
O9 W2 K6 112.9(2) . .
O10 W2 K6 41.40(19) . .
O4 W2 K6 74.5(2) . .
O6 W2 K6 109.12(17) . .
K3 W2 K6 109.96(8) 2_564 .
K2 W2 K6 67.18(8) 2_565 .
K4 W2 K6 96.41(10) 1_655 .
O11 W3 O12 102.9(3) . .
O11 W3 O13 100.7(3) . .
O12 W3 O13 89.2(3) . .
O11 W3 O5 98.4(3) . .
O12 W3 O5 158.7(3) . .
O13 W3 O5 87.3(3) . .
O11 W3 O10 100.6(3) . .
O12 W3 O10 89.4(3) . .
O13 W3 O10 158.4(3) . .
O5 W3 O10 86.2(3) . .
O11 W3 O6 170.7(3) . .
O12 W3 O6 84.7(2) . .
O13 W3 O6 84.6(2) . .
O5 W3 O6 74.1(2) . .
O10 W3 O6 73.8(2) . .
O11 W3 Na1 86.5(3) . .
O12 W3 Na1 135.2(2) . .
O13 W3 Na1 46.0(2) . .
O5 W3 Na1 46.3(2) . .
O10 W3 Na1 132.4(2) . .
O6 W3 Na1 91.92(17) . .
O11 W3 K7 54.0(3) . 2_565
O12 W3 K7 74.2(3) . 2_565
O13 W3 K7 55.7(2) . 2_565
O5 W3 K7 120.0(2) . 2_565
O10 W3 K7 143.6(2) . 2_565
O6 W3 K7 134.34(18) . 2_565
Na1 W3 K7 76.84(18) . 2_565
O11 W3 K2 86.2(2) . 2_565
O12 W3 K2 46.10(19) . 2_565
O13 W3 K2 134.8(2) . 2_565
O5 W3 K2 136.21(18) . 2_565
O10 W3 K2 50.4(2) . 2_565
O6 W3 K2 95.44(15) . 2_565
Na1 W3 K2 172.64(10) . 2_565
K7 W3 K2 97.95(16) 2_565 2_565
O14 W4 O15 101.4(3) . .
O14 W4 O17 99.3(3) . .
O15 W4 O17 92.9(3) . .
O14 W4 O16 100.2(3) . .
O15 W4 O16 92.7(3) . .
O17 W4 O16 158.2(3) . .
O14 W4 O13 96.5(3) . .
O15 W4 O13 162.2(3) . .
O17 W4 O13 84.5(3) . .
O16 W4 O13 83.7(3) . .
O14 W4 O18 173.9(3) . .
O15 W4 O18 78.9(2) . .
O17 W4 O18 74.6(2) . .
O16 W4 O18 85.8(2) . .
O13 W4 O18 83.4(2) . .
O14 W4 K7 49.1(3) . 2_565
O15 W4 K7 138.7(2) . 2_565
O17 W4 K7 117.1(3) . 2_565
O16 W4 K7 70.1(2) . 2_565
O13 W4 K7 56.0(2) . 2_565
O18 W4 K7 133.86(18) . 2_565
O14 W4 Na1 85.7(2) . .
O15 W4 Na1 139.3(2) . .
O17 W4 Na1 46.5(2) . .
O16 W4 Na1 125.7(2) . .
O13 W4 Na1 42.19(19) . .
O18 W4 Na1 90.19(16) . .
K7 W4 Na1 74.66(17) 2_565 .
O20 W5 O19 102.6(3) . .
O20 W5 O21 101.6(3) . .
O19 W5 O21 94.9(3) . .
O20 W5 O17 98.3(3) . .
O19 W5 O17 92.7(3) . .
O21 W5 O17 156.6(3) . .
O20 W5 O2 96.2(3) . .
O19 W5 O2 161.1(3) . .
O21 W5 O2 83.4(2) . .
O17 W5 O2 82.3(3) . .
O20 W5 O18 172.3(3) . .
O19 W5 O18 79.3(2) . .
O21 W5 O18 85.6(2) . .
O17 W5 O18 74.1(2) . .
O2 W5 O18 81.8(2) . .
O22 W6 O23 101.8(3) . .
O22 W6 O21 102.6(3) . .
O23 W6 O21 93.9(3) . .
O22 W6 O24 98.1(3) . .
O23 W6 O24 92.7(3) . .
O21 W6 O24 156.4(3) . .
O22 W6 O3 94.1(3) . .
O23 W6 O3 164.0(3) . .
O21 W6 O3 84.2(3) . .
O24 W6 O3 83.2(3) . .
O22 W6 O25 171.7(3) . .
O23 W6 O25 81.0(2) . .
O21 W6 O25 84.9(2) . .
O24 W6 O25 73.9(2) . .
O3 W6 O25 83.0(2) . .
O22 W6 K3 79.8(2) . 2_564
O23 W6 K3 134.4(2) . 2_564
O21 W6 K3 130.73(19) . 2_564
O24 W6 K3 42.88(18) . 2_564
O3 W6 K3 46.80(18) . 2_564
O25 W6 K3 92.57(14) . 2_564
O22 W6 K6 74.1(2) . 2_564
O23 W6 K6 62.3(2) . 2_564
O21 W6 K6 153.8(2) . 2_564
O24 W6 K6 44.8(2) . 2_564
O3 W6 K6 121.76(19) . 2_564
O25 W6 K6 100.81(16) . 2_564
K3 W6 K6 74.98(8) 2_564 2_564
O22 W6 K4 45.9(2) . 2_564
O23 W6 K4 143.2(2) . 2_564
O21 W6 K4 80.1(2) . 2_564
O24 W6 K4 107.22(18) . 2_564
O3 W6 K4 52.21(19) . 2_564
O25 W6 K4 133.68(14) . 2_564
K3 W6 K4 66.63(6) 2_564 2_564
K6 W6 K4 111.76(10) 2_564 2_564
O26 W7 O27 100.3(3) . .
O26 W7 O28 100.9(3) . .
O27 W7 O28 94.5(3) . .
O26 W7 O24 100.3(3) . .
O27 W7 O24 92.8(3) . .
O28 W7 O24 155.9(3) . .
O26 W7 O8 95.7(3) . .
O27 W7 O8 164.0(3) . .
O28 W7 O8 82.9(3) . .
O24 W7 O8 83.8(3) . .
O26 W7 O25 174.5(3) . .
O27 W7 O25 80.4(2) . .
O28 W7 O25 84.4(2) . .
O24 W7 O25 74.2(2) . .
O8 W7 O25 83.6(2) . .
O26 W7 K6 72.5(3) . 2_564
O27 W7 K6 62.3(2) . 2_564
O28 W7 K6 153.1(2) . 2_564
O24 W7 K6 47.0(2) . 2_564
O8 W7 K6 123.3(2) . 2_564
O25 W7 K6 103.33(17) . 2_564
O26 W7 K3 81.8(2) . 2_564
O27 W7 K3 135.6(2) . 2_564
O28 W7 K3 128.98(18) . 2_564
O24 W7 K3 44.17(19) . 2_564
O8 W7 K3 46.46(19) . 2_564
O25 W7 K3 93.92(14) . 2_564
K6 W7 K3 76.79(10) 2_564 2_564
O29 W8 O30 100.8(3) . .
O29 W8 O28 99.9(3) . .
O30 W8 O28 94.2(3) . .
O29 W8 O31 101.6(3) . .
O30 W8 O31 92.7(3) . .
O28 W8 O31 155.8(2) . .
O29 W8 O9 95.2(3) . .
O30 W8 O9 163.9(3) . .
O28 W8 O9 83.3(3) . .
O31 W8 O9 83.7(3) . .
O29 W8 O32 175.8(3) . .
O30 W8 O32 80.1(2) . .
O28 W8 O32 84.2(2) . .
O31 W8 O32 74.2(2) . .
O9 W8 O32 83.9(2) . .
O29 W8 K2 84.3(2) . 2_565
O30 W8 K2 134.7(2) . 2_565
O28 W8 K2 129.62(18) . 2_565
O31 W8 K2 42.8(2) . 2_565
O9 W8 K2 46.45(19) . 2_565
O32 W8 K2 92.11(14) . 2_565
O29 W8 K4 43.0(2) . 1_655
O30 W8 K4 141.3(2) . 1_655
O28 W8 K4 82.42(18) . 1_655
O31 W8 K4 106.05(19) . 1_655
O9 W8 K4 54.27(18) . 1_655
O32 W8 K4 137.15(15) . 1_655
K2 W8 K4 66.84(6) 2_565 1_655
O29 W8 K3 23.1(2) . 1_655
O30 W8 K3 77.9(2) . 1_655
O28 W8 K3 98.27(18) . 1_655
O31 W8 K3 105.86(18) . 1_655
O9 W8 K3 118.13(18) . 1_655
O32 W8 K3 158.01(14) . 1_655
K2 W8 K3 102.69(5) 2_565 1_655
K4 W8 K3 64.59(7) 1_655 1_655
O34 W9 O33 102.1(3) . .
O34 W9 O16 101.4(3) . .
O33 W9 O16 94.9(3) . .
O34 W9 O31 98.1(3) . .
O33 W9 O31 92.4(3) . .
O16 W9 O31 157.2(3) . .
O34 W9 O12 95.6(3) . .
O33 W9 O12 162.2(3) . .
O16 W9 O12 83.3(3) . .
O31 W9 O12 83.2(3) . .
O34 W9 O32 171.9(3) . .
O33 W9 O32 79.2(3) . .
O16 W9 O32 86.3(2) . .
O31 W9 O32 73.8(2) . .
O12 W9 O32 83.0(2) . .
O34 W9 K2 79.6(2) . 2_565
O33 W9 K2 136.4(2) . 2_565
O16 W9 K2 127.91(19) . 2_565
O31 W9 K2 45.06(19) . 2_565
O12 W9 K2 45.38(17) . 2_565
O32 W9 K2 93.96(14) . 2_565
O34 W9 K5 86.5(3) . .
O33 W9 K5 33.5(2) . .
O16 W9 K5 127.34(19) . .
O31 W9 K5 65.3(2) . .
O12 W9 K5 148.35(18) . .
O32 W9 K5 90.52(16) . .
K2 W9 K5 104.75(7) 2_565 .
O35 Ni1 O36 82.9(2) . .
O35 Ni1 O19 94.5(3) . .
O36 Ni1 O19 175.4(2) . .
O35 Ni1 O15 175.6(2) . .
O36 Ni1 O15 94.3(3) . .
O19 Ni1 O15 88.0(3) . .
O35 Ni1 O37 93.0(3) . .
O36 Ni1 O37 91.5(3) . .
O19 Ni1 O37 92.5(3) . .
O15 Ni1 O37 90.6(3) . .
O35 Ni1 O18 99.3(2) . .
O36 Ni1 O18 99.0(2) . .
O19 Ni1 O18 77.6(2) . .
O15 Ni1 O18 77.7(2) . .
O37 Ni1 O18 164.8(3) . .
O35 Ni1 Ni4 44.01(17) . .
O36 Ni1 Ni4 44.05(17) . .
O19 Ni1 Ni4 135.0(2) . .
O15 Ni1 Ni4 134.77(19) . .
O37 Ni1 Ni4 76.6(2) . .
O18 Ni1 Ni4 118.60(16) . .
O35 Ni1 K8 127.9(3) . 1_545
O36 Ni1 K8 119.4(3) . 1_545
O19 Ni1 K8 65.2(4) . 1_545
O15 Ni1 K8 56.5(3) . 1_545
O37 Ni1 K8 44.9(3) . 1_545
O18 Ni1 K8 119.8(3) . 1_545
Ni4 Ni1 K8 121.3(2) . 1_545
O35 Ni2 O39 82.9(2) . .
O35 Ni2 O27 174.1(3) . .
O39 Ni2 O27 92.7(3) . .
O35 Ni2 O38 94.4(3) . .
O39 Ni2 O38 94.1(3) . .
O27 Ni2 O38 89.9(3) . .
O35 Ni2 O23 95.5(2) . .
O39 Ni2 O23 174.9(2) . .
O27 Ni2 O23 88.5(3) . .
O38 Ni2 O23 90.9(3) . .
O35 Ni2 O25 98.4(2) . .
O39 Ni2 O25 97.2(2) . .
O27 Ni2 O25 78.1(2) . .
O38 Ni2 O25 163.8(3) . .
O23 Ni2 O25 78.1(2) . .
O35 Ni2 Ni4 44.57(17) . .
O39 Ni2 Ni4 44.39(17) . .
O27 Ni2 Ni4 133.0(2) . .
O38 Ni2 Ni4 77.9(2) . .
O23 Ni2 Ni4 136.13(19) . .
O25 Ni2 Ni4 118.25(16) . .
O36 Ni3 O39 83.5(2) . .
O36 Ni3 O30 176.9(3) . .
O39 Ni3 O30 94.1(3) . .
O36 Ni3 O40 94.7(3) . .
O39 Ni3 O40 95.1(3) . .
O30 Ni3 O40 87.6(3) . .
O36 Ni3 O33 94.2(3) . .
O39 Ni3 O33 175.3(2) . .
O30 Ni3 O33 88.1(3) . .
O40 Ni3 O33 89.2(3) . .
O36 Ni3 O32 99.4(2) . .
O39 Ni3 O32 98.7(2) . .
O30 Ni3 O32 78.9(2) . .
O40 Ni3 O32 161.3(2) . .
O33 Ni3 O32 77.5(2) . .
O36 Ni3 Ni4 44.80(17) . .
O39 Ni3 Ni4 44.58(17) . .
O30 Ni3 Ni4 133.9(2) . .
O40 Ni3 Ni4 78.93(19) . .
O33 Ni3 Ni4 134.95(19) . .
O32 Ni3 Ni4 119.79(16) . .
O36 Ni3 K5 125.53(19) . .
O39 Ni3 K5 131.33(19) . .
O30 Ni3 K5 57.6(2) . .
O40 Ni3 K5 50.0(2) . .
O33 Ni3 K5 53.3(2) . .
O32 Ni3 K5 111.32(17) . .
Ni4 Ni3 K5 128.80(8) . .
O41 Ni4 O42 87.0(3) . .
O41 Ni4 O39 176.4(3) . .
O42 Ni4 O39 96.2(3) . .
O41 Ni4 O35 96.9(3) . .
O42 Ni4 O35 97.5(3) . .
O39 Ni4 O35 81.1(2) . .
O41 Ni4 O36 95.5(3) . .
O42 Ni4 O36 176.9(2) . .
O39 Ni4 O36 81.2(2) . .
O35 Ni4 O36 80.4(2) . .
O41 Ni4 O43 85.8(3) . .
O42 Ni4 O43 85.1(3) . .
O39 Ni4 O43 96.0(3) . .
O35 Ni4 O43 176.3(3) . .
O36 Ni4 O43 96.8(3) . .
O41 Ni4 Ni3 134.0(2) . .
O42 Ni4 Ni3 135.1(2) . .
O39 Ni4 Ni3 43.56(17) . .
O35 Ni4 Ni3 94.70(17) . .
O36 Ni4 Ni3 43.26(16) . .
O43 Ni4 Ni3 81.57(19) . .
O41 Ni4 Ni2 135.8(2) . .
O42 Ni4 Ni2 81.86(18) . .
O39 Ni4 Ni2 43.67(17) . .
O35 Ni4 Ni2 43.29(16) . .
O36 Ni4 Ni2 95.07(16) . .
O43 Ni4 Ni2 135.1(2) . .
Ni3 Ni4 Ni2 78.09(4) . .
O41 Ni4 Ni1 82.53(19) . .
O42 Ni4 Ni1 136.2(2) . .
O39 Ni4 Ni1 94.04(16) . .
O35 Ni4 Ni1 42.58(16) . .
O36 Ni4 Ni1 42.71(16) . .
O43 Ni4 Ni1 135.8(2) . .
Ni3 Ni4 Ni1 76.66(4) . .
Ni2 Ni4 Ni1 76.80(4) . .
O41 Ni4 K1 51.7(2) . .
O42 Ni4 K1 52.57(18) . .
O39 Ni4 K1 131.72(17) . .
O35 Ni4 K1 132.16(17) . .
O36 Ni4 K1 130.51(17) . .
O43 Ni4 K1 51.57(19) . .
Ni3 Ni4 K1 133.11(6) . .
Ni2 Ni4 K1 134.42(6) . .
Ni1 Ni4 K1 134.23(6) . .
O25 Si1 O18 109.2(3) . .
O25 Si1 O32 111.4(3) . .
O18 Si1 O32 110.1(3) . .
O25 Si1 O6 108.6(3) . .
O18 Si1 O6 109.4(3) . .
O32 Si1 O6 108.1(3) . .
W1 O1 K2 148.2(4) . .
W1 O1 K4 107.8(3) . 2_564
K2 O1 K4 102.6(2) . 2_564
W1 O2 W5 148.7(3) . .
W1 O2 Na1 102.2(3) . .
W5 O2 Na1 107.7(3) . .
W1 O3 W6 147.9(3) . .
W1 O3 K3 108.2(3) . 2_564
W6 O3 K3 102.1(2) . 2_564
W1 O3 K4 92.4(2) . 2_564
W6 O3 K4 97.6(2) . 2_564
K3 O3 K4 90.60(18) 2_564 2_564
W2 O4 W1 119.3(3) . .
W2 O4 K3 99.0(2) . 2_564
W1 O4 K3 101.9(3) . 2_564
W3 O5 W1 120.4(3) . .
W3 O5 Na1 101.1(3) . .
W1 O5 Na1 98.9(3) . .
Si1 O6 W2 124.2(3) . .
Si1 O6 W1 122.8(3) . .
W2 O6 W1 92.6(2) . .
Si1 O6 W3 124.0(3) . .
W2 O6 W3 92.3(2) . .
W1 O6 W3 91.8(2) . .
W2 O7 K4 103.9(3) . 1_655
W2 O8 W7 149.4(4) . .
W2 O8 K3 106.8(3) . 2_564
W7 O8 K3 102.1(3) . 2_564
W2 O9 W8 148.7(4) . .
W2 O9 K2 106.0(3) . 2_565
W8 O9 K2 103.2(3) . 2_565
W2 O9 K4 96.4(2) . 1_655
W8 O9 K4 94.8(2) . 1_655
K2 O9 K4 89.74(18) 2_565 1_655
W3 O10 W2 119.7(3) . .
W3 O10 K6 120.8(3) . .
W2 O10 K6 111.0(3) . .
W3 O10 K2 98.4(3) . 2_565
W2 O10 K2 102.9(3) . 2_565
K6 O10 K2 98.2(2) . 2_565
W3 O11 K3 154.2(4) . .
W3 O11 K7 97.7(3) . 2_565
K3 O11 K7 92.5(3) . 2_565
W3 O12 W9 149.9(3) . .
W3 O12 K2 105.4(3) . 2_565
W9 O12 K2 103.4(2) . 2_565
W3 O13 W4 149.2(4) . .
W3 O13 Na1 102.4(3) . .
W4 O13 Na1 106.5(3) . .
W3 O13 K7 92.8(3) . 2_565
W4 O13 K7 90.1(3) . 2_565
Na1 O13 K7 104.9(3) . 2_565
W4 O14 K7 103.0(3) . 2_565
W4 O15 Ni1 112.9(3) . .
W4 O15 K8 134.0(4) . 1_545
Ni1 O15 K8 89.6(4) . 1_545
W9 O16 W4 154.9(4) . .
W4 O17 W5 119.2(3) . .
W4 O17 Na1 103.1(3) . .
W5 O17 Na1 103.7(3) . .
Si1 O18 Ni1 123.4(3) . .
Si1 O18 W5 126.0(3) . .
Ni1 O18 W5 89.55(19) . .
Si1 O18 W4 125.4(3) . .
Ni1 O18 W4 90.5(2) . .
W5 O18 W4 91.2(2) . .
W5 O19 Ni1 113.6(3) . .
W5 O19 K8 132.2(4) . 1_545
Ni1 O19 K8 81.7(3) . 1_545
W6 O21 W5 156.1(4) . .
W6 O22 K4 110.0(3) . 2_564
W6 O23 Ni2 111.4(3) . .
W6 O23 K6 90.1(3) . 2_564
Ni2 O23 K6 106.2(3) . 2_564
W7 O24 W6 119.2(3) . .
W7 O24 K3 106.5(3) . 2_564
W6 O24 K3 108.0(3) . 2_564
W7 O24 K6 103.0(3) . 2_564
W6 O24 K6 106.0(3) . 2_564
K3 O24 K6 114.4(2) 2_564 2_564
Si1 O25 Ni2 124.3(3) . .
Si1 O25 W6 126.7(3) . .
Ni2 O25 W6 89.5(2) . .
Si1 O25 W7 124.7(3) . .
Ni2 O25 W7 88.9(2) . .
W6 O25 W7 91.6(2) . .
W7 O26 K2 145.1(3) . 1_655
W7 O27 Ni2 112.6(3) . .
W7 O27 K6 89.5(3) . 2_564
Ni2 O27 K6 109.9(3) . 2_564
W7 O28 W8 157.7(3) . .
W8 O29 K3 141.9(4) . 1_655
W8 O29 K4 113.0(3) . 1_655
K3 O29 K4 102.1(2) 1_655 1_655
W8 O30 Ni3 111.4(3) . .
W8 O30 K5 124.5(3) . .
Ni3 O30 K5 86.6(2) . .
W8 O31 W9 118.7(3) . .
W8 O31 K2 108.9(3) . 2_565
W9 O31 K2 105.3(2) . 2_565
Si1 O32 Ni3 123.5(3) . .
Si1 O32 W8 125.3(3) . .
Ni3 O32 W8 89.5(2) . .
Si1 O32 W9 125.6(3) . .
Ni3 O32 W9 90.3(2) . .
W8 O32 W9 92.2(2) . .
W9 O33 Ni3 113.0(3) . .
W9 O33 K5 125.9(3) . .
Ni3 O33 K5 90.4(2) . .
Ni1 O35 Ni2 131.2(3) . .
Ni1 O35 Ni4 93.4(2) . .
Ni2 O35 Ni4 92.1(2) . .
Ni3 O36 Ni1 130.7(3) . .
Ni3 O36 Ni4 91.9(2) . .
Ni1 O36 Ni4 93.2(3) . .
C1 O37 Ni1 129.6(6) . .
C1 O37 K8 128.2(7) . 1_545
Ni1 O37 K8 101.7(4) . 1_545
C13 O38 Ni2 129.5(7) . .
Ni3 O39 Ni2 131.7(3) . .
Ni3 O39 Ni4 91.9(2) . .
Ni2 O39 Ni4 91.9(2) . .
C7 O40 Ni3 128.0(6) . .
C7 O40 K5 138.0(6) . .
Ni3 O40 K5 93.8(3) . .
C1 O41 Ni4 124.1(6) . .
C1 O41 K1 143.7(6) . .
Ni4 O41 K1 92.2(3) . .
C13 O42 Ni4 124.4(6) . .
C13 O42 K1 144.4(6) . .
Ni4 O42 K1 91.1(2) . .
C7 O43 Ni4 123.9(6) . .
C7 O43 K1 144.3(6) . .
Ni4 O43 K1 91.5(3) . .
C5 S1 C4 93.4(6) . .
C5 S1 K1 73.2(5) . .
C4 S1 K1 70.1(5) . .
C11 S2 C12 91.8(6) . .
C11 S2 K8 164.9(6) . 1_645
C12 S2 K8 84.5(6) . 1_645
C11 S2 K1 70.9(5) . .
C12 S2 K1 73.5(5) . .
K8 S2 K1 94.0(3) 1_645 .
C17 S3 C18 94.6(8) . .
C17 S3 K8 158.3(6) . 1_645
C18 S3 K8 85.7(7) . 1_645
C17 S3 K1 67.9(5) . .
C18 S3 K1 74.3(6) . .
K8 S3 K1 91.5(3) 1_645 .
O41 C1 O37 127.1(9) . .
O41 C1 C2 118.3(9) . .
O37 C1 C2 114.2(9) . .
C3 C2 C1 114.3(9) . .
C3 C2 H2A 108.7 . .
C1 C2 H2A 108.7 . .
C3 C2 H2B 108.7 . .
C1 C2 H2B 108.7 . .
H2A C2 H2B 107.6 . .
C4 C3 C6 110.3(11) . .
C4 C3 C2 124.6(11) . .
C6 C3 C2 125.1(10) . .
C4 C3 K1 80.6(8) . .
C6 C3 K1 76.3(7) . .
C2 C3 K1 109.5(6) . .
C3 C4 S1 112.5(10) . .
C3 C4 K1 76.5(7) . .
S1 C4 K1 82.3(6) . .
C3 C4 H4 123.7 . .
S1 C4 H4 123.7 . .
K1 C4 H4 109.3 . .
C6 C5 S1 110.9(10) . .
C6 C5 K7 91.9(9) . 1_645
S1 C5 K7 115.6(7) . 1_645
C6 C5 K1 71.4(7) . .
S1 C5 K1 80.7(6) . .
K7 C5 K1 160.5(5) 1_645 .
C6 C5 H5 124.5 . .
S1 C5 H5 124.5 . .
K7 C5 H5 65.9 1_645 .
K1 C5 H5 115.1 . .
C3 C6 C5 112.6(11) . .
C3 C6 K1 79.9(6) . .
C5 C6 K1 84.9(8) . .
C3 C6 K7 119.9(8) . 1_645
C5 C6 K7 63.8(8) . 1_645
K1 C6 K7 147.1(4) . 1_645
C3 C6 H6 123.7 . .
C5 C6 H6 123.7 . .
K1 C6 H6 103.8 . .
K7 C6 H6 87.1 1_645 .
O43 C7 O40 127.4(9) . .
O43 C7 C8 117.1(9) . .
O40 C7 C8 115.3(9) . .
C9 C8 C7 117.4(10) . .
C9 C8 H8A 107.9 . .
C7 C8 H8A 107.9 . .
C9 C8 H8B 107.9 . .
C7 C8 H8B 107.9 . .
H8A C8 H8B 107.2 . .
C12 C9 C10 112.0(11) . .
C12 C9 C8 125.8(12) . .
C10 C9 C8 122.2(12) . .
C12 C9 K1 83.3(9) . .
C10 C9 K1 76.2(7) . .
C8 C9 K1 108.2(7) . .
C11 C10 C9 112.9(13) . .
C11 C10 K1 80.9(8) . .
C9 C10 K1 80.3(7) . .
C11 C10 H10 123.6 . .
C9 C10 H10 123.6 . .
K1 C10 H10 107.1 . .
C10 C11 S2 111.5(9) . .
C10 C11 K1 75.7(7) . .
S2 C11 K1 82.2(5) . .
C10 C11 H11 124.2 . .
S2 C11 H11 124.2 . .
K1 C11 H11 109.9 . .
C9 C12 S2 111.8(10) . .
C9 C12 K8 165.1(11) . 1_645
S2 C12 K8 66.3(5) . 1_645
C9 C12 K1 74.7(8) . .
S2 C12 K1 78.5(6) . .
K8 C12 K1 90.6(5) 1_645 .
C9 C12 H12 124.1 . .
S2 C12 H12 124.1 . .
K8 C12 H12 59.8 1_645 .
K1 C12 H12 114.4 . .
O38 C13 O42 126.3(9) . .
O38 C13 C14 115.4(9) . .
O42 C13 C14 118.3(8) . .
C13 C14 C15 114.8(8) . .
C13 C14 H14A 108.6 . .
C15 C14 H14A 108.6 . .
C13 C14 H14B 108.6 . .
C15 C14 H14B 108.6 . .
H14A C14 H14B 107.6 . .
C18 C15 C16 114.4(11) . .
C18 C15 C14 124.0(12) . .
C16 C15 C14 121.5(11) . .
C18 C15 K1 86.9(10) . .
C16 C15 K1 73.9(7) . .
C14 C15 K1 110.0(6) . .
C15 C16 C17 110.2(12) . .
C15 C16 K1 82.1(7) . .
C17 C16 K1 81.6(8) . .
C15 C16 H16 124.9 . .
C17 C16 H16 124.9 . .
K1 C16 H16 104.3 . .
C16 C17 S3 110.9(10) . .
C16 C17 K1 74.0(7) . .
S3 C17 K1 85.8(5) . .
C16 C17 H17 124.5 . .
S3 C17 H17 124.5 . .
K1 C17 H17 107.9 . .
C15 C18 S3 109.8(10) . .
C15 C18 H18 125.1 . .
S3 C18 H18 125.1 . .
O43 K1 O41 62.2(2) . .
O43 K1 O42 61.5(2) . .
O41 K1 O42 62.0(2) . .
O43 K1 C16 125.6(3) . .
O41 K1 C16 101.5(3) . .
O42 K1 C16 65.2(3) . .
O43 K1 C6 124.9(3) . .
O41 K1 C6 64.5(2) . .
O42 K1 C6 104.1(3) . .
C16 K1 C6 77.8(3) . .
O43 K1 C10 65.9(3) . .
O41 K1 C10 101.3(3) . .
O42 K1 C10 126.5(3) . .
C16 K1 C10 157.2(4) . .
C6 K1 C10 113.2(3) . .
O43 K1 C3 105.0(2) . .
O41 K1 C3 52.1(2) . .
O42 K1 C3 107.6(2) . .
C16 K1 C3 100.4(3) . .
C6 K1 C3 23.8(2) . .
C10 K1 C3 94.1(3) . .
O43 K1 C9 52.6(2) . .
O41 K1 C9 105.3(2) . .
O42 K1 C9 107.3(2) . .
C16 K1 C9 143.8(3) . .
C6 K1 C9 136.1(3) . .
C10 K1 C9 23.5(3) . .
C3 K1 C9 115.2(3) . .
O43 K1 C17 145.6(3) . .
O41 K1 C17 120.8(3) . .
O42 K1 C17 88.7(3) . .
C16 K1 C17 24.4(3) . .
C6 K1 C17 76.5(3) . .
C10 K1 C17 135.4(4) . .
C3 K1 C17 100.1(3) . .
C9 K1 C17 133.2(3) . .
O43 K1 C11 88.6(3) . .
O41 K1 C11 119.2(3) . .
O42 K1 C11 146.5(3) . .
C16 K1 C11 136.7(4) . .
C6 K1 C11 105.6(3) . .
C10 K1 C11 23.4(3) . .
C3 K1 C11 93.9(3) . .
C9 K1 C11 39.3(3) . .
C17 K1 C11 113.0(4) . .
O43 K1 C15 106.1(3) . .
O41 K1 C15 105.9(2) . .
O42 K1 C15 52.3(2) . .
C16 K1 C15 24.0(3) . .
C6 K1 C15 100.8(3) . .
C10 K1 C15 143.2(3) . .
C3 K1 C15 122.1(3) . .
C9 K1 C15 122.5(3) . .
C17 K1 C15 39.7(3) . .
C11 K1 C15 134.1(3) . .
O43 K1 Ni4 36.89(14) . .
O41 K1 Ni4 36.13(14) . .
O42 K1 Ni4 36.33(13) . .
C16 K1 Ni4 98.4(2) . .
C6 K1 Ni4 98.6(2) . .
C10 K1 Ni4 99.5(3) . .
C3 K1 Ni4 88.18(17) . .
C9 K1 Ni4 89.39(17) . .
C17 K1 Ni4 122.8(3) . .
C11 K1 Ni4 122.8(3) . .
C15 K1 Ni4 88.59(18) . .
O1 K2 O26 138.6(2) . 1_455
O1 K2 O12 134.6(2) . 2_464
O26 K2 O12 86.60(19) 1_455 2_464
O1 K2 O31 80.2(2) . 2_464
O26 K2 O31 136.6(2) 1_455 2_464
O12 K2 O31 56.47(17) 2_464 2_464
O1 K2 O1W 66.6(2) . .
O26 K2 O1W 74.2(2) 1_455 .
O12 K2 O1W 156.1(3) 2_464 .
O31 K2 O1W 146.6(3) 2_464 .
O1 K2 O9 79.1(2) . 2_464
O26 K2 O9 133.5(2) 1_455 2_464
O12 K2 O9 66.23(18) 2_464 2_464
O31 K2 O9 55.32(19) 2_464 2_464
O1W K2 O9 117.7(3) . 2_464
O1 K2 O10 123.6(2) . 2_464
O26 K2 O10 79.0(2) 1_455 2_464
O12 K2 O10 55.90(18) 2_464 2_464
O31 K2 O10 95.02(19) 2_464 2_464
O1W K2 O10 105.5(4) . 2_464
O9 K2 O10 54.54(18) 2_464 2_464
O1 K2 O11W 81.9(4) . 2_465
O26 K2 O11W 86.7(5) 1_455 2_465
O12 K2 O11W 101.0(5) 2_464 2_465
O31 K2 O11W 79.8(6) 2_464 2_465
O1W K2 O11W 92.1(6) . 2_465
O9 K2 O11W 133.5(5) 2_464 2_465
O10 K2 O11W 153.1(5) 2_464 2_465
O1 K2 W3 146.11(17) . 2_464
O26 K2 W3 71.41(15) 1_455 2_464
O12 K2 W3 28.47(13) 2_464 2_464
O31 K2 W3 81.51(13) 2_464 2_464
O1W K2 W3 128.5(3) . 2_464
O9 K2 W3 67.03(13) 2_464 2_464
O10 K2 W3 31.15(13) 2_464 2_464
O11W K2 W3 122.4(4) 2_465 2_464
O1 K2 W9 109.27(16) . 2_464
O26 K2 W9 107.44(15) 1_455 2_464
O12 K2 W9 31.18(13) 2_464 2_464
O31 K2 W9 29.60(12) 2_464 2_464
O1W K2 W9 171.1(4) . 2_464
O9 K2 W9 67.87(13) 2_464 2_464
O10 K2 W9 83.40(13) 2_464 2_464
O11W K2 W9 79.3(5) 2_465 2_464
W3 K2 W9 59.46(3) 2_464 2_464
O1 K2 W2 95.75(17) . 2_464
O26 K2 W2 107.66(18) 1_455 2_464
O12 K2 W2 66.27(14) 2_464 2_464
O31 K2 W2 79.65(15) 2_464 2_464
O1W K2 W2 105.8(4) . 2_464
O9 K2 W2 27.60(12) 2_464 2_464
O10 K2 W2 29.66(13) 2_464 2_464
O11W K2 W2 159.5(5) 2_465 2_464
W3 K2 W2 52.87(3) 2_464 2_464
W9 K2 W2 82.30(5) 2_464 2_464
O1 K2 W8 68.32(15) . 2_464
O26 K2 W8 153.01(16) 1_455 2_464
O12 K2 W8 66.98(13) 2_464 2_464
O31 K2 W8 28.22(13) 2_464 2_464
O1W K2 W8 129.4(2) . 2_464
O9 K2 W8 30.32(12) 2_464 2_464
O10 K2 W8 81.39(14) 2_464 2_464
O11W K2 W8 103.2(5) 2_465 2_464
W3 K2 W8 82.23(5) 2_464 2_464
W9 K2 W8 51.60(3) 2_464 2_464
W2 K2 W8 57.60(4) 2_464 2_464
O29 K3 O11 139.4(2) 1_455 .
O29 K3 O24 127.1(2) 1_455 2_465
O11 K3 O24 79.9(2) . 2_465
O29 K3 O8 130.1(2) 1_455 2_465
O11 K3 O8 89.3(2) . 2_465
O24 K3 O8 56.70(19) 2_465 2_465
O29 K3 O3 78.1(2) 1_455 2_465
O11 K3 O3 136.2(2) . 2_465
O24 K3 O3 56.33(19) 2_465 2_465
O8 K3 O3 66.61(19) 2_465 2_465
O29 K3 O4 75.5(2) 1_455 2_465
O11 K3 O4 138.1(2) . 2_465
O24 K3 O4 95.15(19) 2_465 2_465
O8 K3 O4 55.43(18) 2_465 2_465
O3 K3 O4 54.28(18) 2_465 2_465
O29 K3 O12W 66.5(4) 1_455 .
O11 K3 O12W 75.1(4) . .
O24 K3 O12W 113.2(6) 2_465 .
O8 K3 O12W 163.2(4) 2_465 .
O3 K3 O12W 121.1(6) 2_465 .
O4 K3 O12W 141.3(4) 2_465 .
O29 K3 W7 146.29(17) 1_455 2_465
O11 K3 W7 72.48(16) . 2_465
O24 K3 W7 29.30(13) 2_465 2_465
O8 K3 W7 31.42(13) 2_465 2_465
O3 K3 W7 68.22(14) 2_465 2_465
O4 K3 W7 83.06(13) 2_465 2_465
O12W K3 W7 133.9(5) . 2_465
O29 K3 W2 105.81(17) 1_455 2_465
O11 K3 W2 108.37(18) . 2_465
O24 K3 W2 81.19(15) 2_465 2_465
O8 K3 W2 28.01(13) 2_465 2_465
O3 K3 W2 66.51(14) 2_465 2_465
O4 K3 W2 30.71(12) 2_465 2_465
O12W K3 W2 165.6(6) . 2_465
W7 K3 W2 59.18(4) 2_465 2_465
O29 K3 W6 98.53(17) 1_455 2_465
O11 K3 W6 106.97(18) . 2_465
O24 K3 W6 29.07(13) 2_465 2_465
O8 K3 W6 68.20(13) 2_465 2_465
O3 K3 W6 31.09(13) 2_465 2_465
O4 K3 W6 82.01(13) 2_465 2_465
O12W K3 W6 110.1(7) . 2_465
W7 K3 W6 52.26(4) 2_465 2_465
W2 K3 W6 82.65(5) 2_465 2_465
O29 K3 W1 66.31(15) 1_455 2_465
O11 K3 W1 154.30(18) . 2_465
O24 K3 W1 80.04(14) 2_465 2_465
O8 K3 W1 66.25(13) 2_465 2_465
O3 K3 W1 27.09(13) 2_465 2_465
O4 K3 W1 29.87(12) 2_465 2_465
O12W K3 W1 128.0(4) . 2_465
W7 K3 W1 82.16(5) 2_465 2_465
W2 K3 W1 52.54(4) 2_465 2_465
W6 K3 W1 57.91(4) 2_465 2_465
O29 K3 K7 116.4(2) 1_455 2_565
O11 K3 K7 46.4(2) . 2_565
O24 K3 K7 116.4(2) 2_465 2_565
O8 K3 K7 86.76(19) 2_465 2_565
O3 K3 K7 152.0(2) 2_465 2_565
O4 K3 K7 104.09(18) 2_465 2_565
O12W K3 K7 86.8(6) . 2_565
W7 K3 K7 93.74(15) 2_465 2_565
W2 K3 K7 86.04(12) 2_465 2_565
W6 K3 K7 145.02(15) 2_465 2_565
W1 K3 K7 133.94(14) 2_465 2_565
O8W K4 O2W 112.5(4) . .
O8W K4 O1 79.0(3) . 2_465
O2W K4 O1 166.6(3) . 2_465
O8W K4 O29 136.1(3) . 1_455
O2W K4 O29 107.9(3) . 1_455
O1 K4 O29 59.17(19) 2_465 1_455
O8W K4 O22 107.1(3) . 2_465
O2W K4 O22 77.3(3) . 2_465
O1 K4 O22 106.5(2) 2_465 2_465
O29 K4 O22 97.7(2) 1_455 2_465
O8W K4 O7 67.0(3) . 1_455
O2W K4 O7 77.6(3) . 1_455
O1 K4 O7 102.0(2) 2_465 1_455
O29 K4 O7 106.9(2) 1_455 1_455
O22 K4 O7 149.2(2) 2_465 1_455
O8W K4 O3 98.1(3) . 2_465
O2W K4 O3 127.4(3) . 2_465
O1 K4 O3 54.12(18) 2_465 2_465
O29 K4 O3 69.25(18) 1_455 2_465
O22 K4 O3 52.50(18) 2_465 2_465
O7 K4 O3 155.0(2) 1_455 2_465
O8W K4 O9 102.5(3) . 1_455
O2W K4 O9 98.6(3) . 1_455
O1 K4 O9 71.36(19) 2_465 1_455
O29 K4 O9 53.99(17) 1_455 1_455
O22 K4 O9 149.3(2) 2_465 1_455
O7 K4 O9 53.14(17) 1_455 1_455
O3 K4 O9 115.78(19) 2_465 1_455
O8W K4 W1 82.3(3) . 2_465
O2W K4 W1 156.7(3) . 2_465
O1 K4 W1 25.66(13) 2_465 2_465
O29 K4 W1 66.17(15) 1_455 2_465
O22 K4 W1 81.19(14) 2_465 2_465
O7 K4 W1 125.55(19) 1_455 2_465
O3 K4 W1 29.59(12) 2_465 2_465
O9 K4 W1 95.23(14) 1_455 2_465
O8W K4 W2 87.8(2) . 1_455
O2W K4 W2 82.0(2) . 1_455
O1 K4 W2 91.96(16) 2_465 1_455
O29 K4 W2 81.22(14) 1_455 1_455
O22 K4 W2 157.95(16) 2_465 1_455
O7 K4 W2 25.87(12) 1_455 1_455
O3 K4 W2 143.03(15) 2_465 1_455
O9 K4 W2 28.47(12) 1_455 1_455
W1 K4 W2 117.60(9) 2_465 1_455
O8W K4 W8 127.9(3) . 1_455
O2W K4 W8 100.4(2) . 1_455
O1 K4 W8 66.45(15) 2_465 1_455
O29 K4 W8 23.99(13) 1_455 1_455
O22 K4 W8 119.04(16) 2_465 1_455
O7 K4 W8 83.04(14) 1_455 1_455
O3 K4 W8 92.06(13) 2_465 1_455
O9 K4 W8 30.92(11) 1_455 1_455
W1 K4 W8 82.30(6) 2_465 1_455
W2 K4 W8 57.28(5) 1_455 1_455
O8W K4 W6 97.5(2) . 2_465
O2W K4 W6 101.4(3) . 2_465
O1 K4 W6 83.07(15) 2_465 2_465
O29 K4 W6 90.68(15) 1_455 2_465
O22 K4 W6 24.12(12) 2_465 2_465
O7 K4 W6 161.95(16) 1_455 2_465
O3 K4 W6 30.20(12) 2_465 2_465
O9 K4 W6 143.47(15) 1_455 2_465
W1 K4 W6 57.48(5) 2_465 2_465
W2 K4 W6 171.86(9) 1_455 2_465
W8 K4 W6 114.65(8) 1_455 2_465
O40 K5 O3W 101.4(3) . .
O40 K5 O5W 140.6(3) . 2_565
O3W K5 O5W 110.2(4) . 2_565
O40 K5 O33 64.0(2) . .
O3W K5 O33 100.8(4) . .
O5W K5 O33 86.9(3) 2_565 .
O40 K5 O9W 118.9(5) . .
O3W K5 O9W 80.3(5) . .
O5W K5 O9W 89.9(4) 2_565 .
O33 K5 O9W 176.8(4) . .
O40 K5 O30 60.4(2) . .
O3W K5 O30 156.9(3) . .
O5W K5 O30 82.4(3) 2_565 .
O33 K5 O30 59.6(2) . .
O9W K5 O30 120.0(5) . .
O40 K5 O6W 123.6(3) . .
O3W K5 O6W 53.1(3) . .
O5W K5 O6W 64.7(3) 2_565 .
O33 K5 O6W 72.6(3) . .
O9W K5 O6W 106.0(5) . .
O30 K5 O6W 122.8(3) . .
O40 K5 Ni3 36.19(15) . .
O3W K5 Ni3 121.2(3) . .
O5W K5 Ni3 105.1(2) 2_565 .
O33 K5 Ni3 36.34(14) . .
O9W K5 Ni3 145.2(5) . .
O30 K5 Ni3 35.79(13) . .
O6W K5 Ni3 108.8(2) . .
O40 K5 W9 82.26(17) . .
O3W K5 W9 107.7(3) . .
O5W K5 W9 66.2(2) 2_565 .
O33 K5 W9 20.63(14) . .
O9W K5 W9 156.2(4) . .
O30 K5 W9 58.62(14) . .
O6W K5 W9 65.5(2) . .
Ni3 K5 W9 49.28(6) . .
O40 K5 K7 88.7(2) . 2_665
O3W K5 K7 110.8(3) . 2_665
O5W K5 K7 101.2(3) 2_565 2_665
O33 K5 K7 141.9(2) . 2_665
O9W K5 K7 39.0(5) . 2_665
O30 K5 K7 84.4(2) . 2_665
O6W K5 K7 144.3(3) . 2_665
Ni3 K5 K7 106.51(16) . 2_665
W9 K5 K7 141.55(16) . 2_665
O40 K5 K6 169.6(2) . 2_565
O3W K5 K6 75.4(3) . 2_565
O5W K5 K6 37.4(2) 2_565 2_565
O33 K5 K6 106.6(2) . 2_565
O9W K5 K6 70.7(4) . 2_565
O30 K5 K6 119.75(18) . 2_565
O6W K5 K6 46.5(2) . 2_565
Ni3 K5 K6 137.43(14) . 2_565
W9 K5 K6 89.28(11) . 2_565
K7 K5 K6 101.68(14) 2_665 2_565
O4W K6 O10 120.8(4) . .
O4W K6 O5W 97.0(4) . .
O10 K6 O5W 86.5(3) . .
O4W K6 O24 114.2(3) . 2_465
O10 K6 O24 104.2(2) . 2_465
O5W K6 O24 133.2(4) . 2_465
O4W K6 O6W 68.8(3) . 2_464
O10 K6 O6W 152.3(3) . 2_464
O5W K6 O6W 66.0(3) . 2_464
O24 K6 O6W 93.0(3) 2_465 2_464
O4W K6 O27 70.7(3) . 2_465
O10 K6 O27 106.6(2) . 2_465
O5W K6 O27 165.3(3) . 2_465
O24 K6 O27 50.97(18) 2_465 2_465
O6W K6 O27 101.1(3) 2_464 2_465
O4W K6 O23 70.8(3) . 2_465
O10 K6 O23 152.4(2) . 2_465
O5W K6 O23 118.3(3) . 2_465
O24 K6 O23 50.59(18) 2_465 2_465
O6W K6 O23 53.0(2) 2_464 2_465
O27 K6 O23 50.76(17) 2_465 2_465
O4W K6 W7 99.0(3) . 2_465
O10 K6 W7 92.62(19) . 2_465
O5W K6 W7 161.8(3) . 2_465
O24 K6 W7 29.98(13) 2_465 2_465
O6W K6 W7 112.3(2) 2_464 2_465
O27 K6 W7 28.22(11) 2_465 2_465
O23 K6 W7 59.96(13) 2_465 2_465
O4W K6 W6 98.5(3) . 2_465
O10 K6 W6 132.1(2) . 2_465
O5W K6 W6 116.7(3) . 2_465
O24 K6 W6 29.27(13) 2_465 2_465
O6W K6 W6 63.9(2) 2_464 2_465
O27 K6 W6 59.25(13) 2_465 2_465
O23 K6 W6 27.68(11) 2_465 2_465
W7 K6 W6 52.24(6) 2_465 2_465
O4W K6 W2 100.8(3) . .
O10 K6 W2 27.58(15) . .
O5W K6 W2 68.8(2) . .
O24 K6 W2 131.77(19) 2_465 .
O6W K6 W2 131.5(2) 2_464 .
O27 K6 W2 120.51(18) 2_465 .
O23 K6 W2 169.1(2) 2_465 .
W7 K6 W2 116.18(12) 2_465 .
W6 K6 W2 159.09(14) 2_465 .
O4W K6 K2 95.1(3) . 2_565
O10 K6 K2 41.94(16) . 2_565
O5W K6 K2 124.2(2) . 2_565
O24 K6 K2 88.23(17) 2_465 2_565
O6W K6 K2 162.8(3) 2_464 2_565
O27 K6 K2 66.57(14) 2_465 2_565
O23 K6 K2 117.14(17) 2_465 2_565
W7 K6 K2 62.86(8) 2_465 2_565
W6 K6 K2 114.93(11) 2_465 2_565
W2 K6 K2 55.42(7) . 2_565
O4W K6 K5 61.8(3) . 2_464
O10 K6 K5 109.1(2) . 2_464
O5W K6 K5 35.7(3) . 2_464
O24 K6 K5 142.2(2) 2_465 2_464
O6W K6 K5 49.5(2) 2_464 2_464
O27 K6 K5 130.46(18) 2_465 2_464
O23 K6 K5 98.41(16) 2_465 2_464
W7 K6 K5 156.13(15) 2_465 2_464
W6 K6 K5 113.39(13) 2_465 2_464
W2 K6 K5 83.10(11) . 2_464
K2 K6 K5 128.80(14) 2_565 2_464
O10W K7 O14 70.3(7) . 2_464
O10W K7 O2W 143.7(8) . .
O14 K7 O2W 141.5(5) 2_464 .
O10W K7 O9W 91.3(7) . 2_364
O14 K7 O9W 112.9(5) 2_464 2_364
O2W K7 O9W 88.8(5) . 2_364
O10W K7 O11 78.1(6) . 2_464
O14 K7 O11 112.9(3) 2_464 2_464
O2W K7 O11 72.6(3) . 2_464
O9W K7 O11 125.7(4) 2_364 2_464
O10W K7 O13 69.3(6) . 2_464
O14 K7 O13 57.8(2) 2_464 2_464
O2W K7 O13 109.1(4) . 2_464
O9W K7 O13 160.2(6) 2_364 2_464
O11 K7 O13 55.9(2) 2_464 2_464
O10W K7 C5 132.9(8) . 1_465
O14 K7 C5 70.3(4) 2_464 1_465
O2W K7 C5 82.9(4) . 1_465
O9W K7 C5 81.2(5) 2_364 1_465
O11 K7 C5 142.0(5) 2_464 1_465
O13 K7 C5 108.7(4) 2_464 1_465
O10W K7 C6 110.5(7) . 1_465
O14 K7 C6 60.4(3) 2_464 1_465
O2W K7 C6 103.3(4) . 1_465
O9W K7 C6 68.9(4) 2_364 1_465
O11 K7 C6 164.0(4) 2_464 1_465
O13 K7 C6 113.3(3) 2_464 1_465
C5 K7 C6 24.3(3) 1_465 1_465
O10W K7 W4 78.4(7) . 2_464
O14 K7 W4 27.97(15) 2_464 2_464
O2W K7 W4 121.6(4) . 2_464
O9W K7 W4 140.7(4) 2_364 2_464
O11 K7 W4 89.5(2) 2_464 2_464
O13 K7 W4 33.91(14) 2_464 2_464
C5 K7 W4 78.9(3) 1_465 2_464
C6 K7 W4 79.4(2) 1_465 2_464
O10W K7 W3 82.6(5) . 2_464
O14 K7 W3 88.9(2) 2_464 2_464
O2W K7 W3 81.6(3) . 2_464
O9W K7 W3 154.0(4) 2_364 2_464
O11 K7 W3 28.29(15) 2_464 2_464
O13 K7 W3 31.47(14) 2_464 2_464
C5 K7 W3 121.1(4) 1_465 2_464
C6 K7 W3 136.9(3) 1_465 2_464
W4 K7 W3 62.77(12) 2_464 2_464
O10W K7 K3 61.3(7) . 2_464
O14 K7 K3 127.9(3) 2_464 2_464
O2W K7 K3 82.5(3) . 2_464
O9W K7 K3 87.1(4) 2_364 2_464
O11 K7 K3 41.02(17) 2_464 2_464
O13 K7 K3 86.9(2) 2_464 2_464
C5 K7 K3 161.5(4) 1_465 2_464
C6 K7 K3 155.0(3) 1_465 2_464
W4 K7 K3 118.7(2) 2_464 2_464
W3 K7 K3 67.68(13) 2_464 2_464
O10W K7 Na1 35.3(5) . 2_464
O14 K7 Na1 61.9(2) 2_464 2_464
O2W K7 Na1 130.0(3) . 2_464
O9W K7 Na1 126.5(5) 2_364 2_464
O11 K7 Na1 58.4(2) 2_464 2_464
O13 K7 Na1 34.45(17) 2_464 2_464
C5 K7 Na1 130.9(3) 1_465 2_464
C6 K7 Na1 120.9(3) 1_465 2_464
W4 K7 Na1 53.73(13) 2_464 2_464
W3 K7 Na1 50.68(12) 2_464 2_464
K3 K7 Na1 67.55(16) 2_464 2_464
O37 K8 O3W 106.7(6) 1_565 2_464
O37 K8 O15 60.9(3) 1_565 1_565
O3W K8 O15 153.3(7) 2_464 1_565
O37 K8 S2 146.0(8) 1_565 1_465
O3W K8 S2 71.3(4) 2_464 1_465
O15 K8 S2 105.1(5) 1_565 1_465
O37 K8 S3 128.8(7) 1_565 1_465
O3W K8 S3 72.1(4) 2_464 1_465
O15 K8 S3 134.5(6) 1_565 1_465
S2 K8 S3 83.9(3) 1_465 1_465
O37 K8 O19 57.4(3) 1_565 1_565
O3W K8 O19 144.3(7) 2_464 1_565
O15 K8 O19 51.9(3) 1_565 1_565
S2 K8 O19 140.9(5) 1_465 1_565
S3 K8 O19 93.1(5) 1_465 1_565
O37 K8 C12 135.9(6) 1_565 1_465
O3W K8 C12 100.5(5) 2_464 1_465
O15 K8 C12 79.3(4) 1_565 1_465
S2 K8 C12 29.2(3) 1_465 1_465
S3 K8 C12 92.2(4) 1_465 1_465
O19 K8 C12 112.6(5) 1_565 1_465
O37 K8 Ni1 33.4(2) 1_565 1_565
O3W K8 Ni1 140.1(5) 2_464 1_565
O15 K8 Ni1 33.81(17) 1_565 1_565
S2 K8 Ni1 138.6(5) 1_465 1_565
S3 K8 Ni1 125.5(6) 1_465 1_565
O19 K8 Ni1 33.16(16) 1_565 1_565
C12 K8 Ni1 112.8(5) 1_465 1_565
O37 K8 K1 163.5(6) 1_565 1_465
O3W K8 K1 87.8(4) 2_464 1_465
O15 K8 K1 108.9(4) 1_565 1_465
S2 K8 K1 45.90(18) 1_465 1_465
S3 K8 K1 47.55(18) 1_465 1_465
O19 K8 K1 106.2(4) 1_565 1_465
C12 K8 K1 44.8(3) 1_465 1_465
Ni1 K8 K1 131.5(4) 1_565 1_465
O1W Na1 O12W 77.8(7) . .
O1W Na1 O2 82.2(3) . .
O12W Na1 O2 128.0(7) . .
O1W Na1 O13 152.3(4) . .
O12W Na1 O13 109.8(5) . .
O2 Na1 O13 72.2(2) . .
O1W Na1 O5 97.8(4) . .
O12W Na1 O5 74.0(6) . .
O2 Na1 O5 61.8(2) . .
O13 Na1 O5 61.1(2) . .
O1W Na1 O7W 96.4(6) . .
O12W Na1 O7W 120.4(7) . .
O2 Na1 O7W 109.2(5) . .
O13 Na1 O7W 101.7(5) . .
O5 Na1 O7W 161.8(5) . .
O1W Na1 O10W 130.8(5) . 2_565
O12W Na1 O10W 72.7(10) . 2_565
O2 Na1 O10W 146.7(5) . 2_565
O13 Na1 O10W 76.0(4) . 2_565
O5 Na1 O10W 110.3(6) . 2_565
O7W Na1 O10W 67.6(9) . 2_565
O1W Na1 O17 115.8(4) . .
O12W Na1 O17 166.3(6) . .
O2 Na1 O17 59.0(2) . .
O13 Na1 O17 59.1(2) . .
O5 Na1 O17 104.2(3) . .
O7W Na1 O17 59.0(4) . .
O10W Na1 O17 95.8(7) 2_565 .
O1W Na1 W1 79.2(3) . .
O12W Na1 W1 97.3(7) . .
O2 Na1 W1 31.42(14) . .
O13 Na1 W1 73.56(18) . .
O5 Na1 W1 33.77(15) . .
O7W Na1 W1 140.5(5) . .
O10W Na1 W1 142.2(5) 2_565 .
O17 Na1 W1 87.34(19) . .
O1W Na1 W3 130.4(3) . .
O12W Na1 W3 84.2(5) . .
O2 Na1 W3 73.42(18) . .
O13 Na1 W3 31.55(14) . .
O5 Na1 W3 32.60(15) . .
O7W Na1 W3 132.1(5) . .
O10W Na1 W3 84.8(5) 2_565 .
O17 Na1 W3 87.45(19) . .
W1 Na1 W3 57.67(8) . .
O1W Na1 W4 145.1(4) . .
O12W Na1 W4 136.5(6) . .
O2 Na1 W4 70.77(18) . .
O13 Na1 W4 31.34(15) . .
O5 Na1 W4 88.7(2) . .
O7W Na1 W4 73.1(4) . .
O10W Na1 W4 76.9(5) 2_565 .
O17 Na1 W4 30.35(15) . .
W1 Na1 W4 88.19(13) . .
W3 Na1 W4 62.58(9) . .
O1W Na1 K7 163.1(4) . 2_565
O12W Na1 K7 86.4(6) . 2_565
O2 Na1 K7 112.8(2) . 2_565
O13 Na1 K7 40.6(2) . 2_565
O5 Na1 K7 83.5(2) . 2_565
O7W Na1 K7 86.3(5) . 2_565
O10W Na1 K7 35.8(4) 2_565 2_565
O17 Na1 K7 79.9(2) . 2_565
W1 Na1 K7 109.22(18) . 2_565
W3 Na1 K7 52.48(14) . 2_565
W4 Na1 K7 51.61(13) . 2_565
Na1 O1W K2 117.5(6) . .
K4 O2W K7 120.9(4) . .
K5 O3W K8 136.0(6) . 2_565
K5 O5W K6 106.9(4) 2_464 .
K6 O6W K5 83.9(3) 2_565 .
K5 O9W K7 102.9(7) . 2_665
Na1 O10W K7 108.9(6) 2_464 .
Na1 O12W K3 118.2(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O1 1.708(6) .
W1 O3 1.856(6) .
W1 O2 1.859(6) .
W1 O5 1.960(6) .
W1 O4 1.970(6) .
W1 O6 2.350(6) .
W1 Na1 3.484(5) .
W1 K4 3.755(3) 2_564
W1 K3 3.870(3) 2_564
W2 O7 1.740(6) .
W2 O8 1.857(6) .
W2 O9 1.857(6) .
W2 O10 1.956(7) .
W2 O4 1.957(6) .
W2 O6 2.337(6) .
W2 K3 3.785(3) 2_564
W2 K2 3.853(3) 2_565
W2 K4 3.871(3) 1_655
W2 K6 3.943(5) .
W3 O11 1.725(7) .
W3 O12 1.849(6) .
W3 O13 1.886(6) .
W3 O5 1.932(6) .
W3 O10 1.955(6) .
W3 O6 2.353(6) .
W3 Na1 3.519(5) .
W3 K7 3.609(8) 2_565
W3 K2 3.739(2) 2_565
W4 O14 1.733(6) .
W4 O15 1.823(6) .
W4 O17 1.921(7) .
W4 O16 1.925(6) .
W4 O13 2.009(6) .
W4 O18 2.345(6) .
W4 K7 3.600(7) 2_565
W4 Na1 3.703(6) .
W5 O20 1.728(7) .
W5 O19 1.787(6) .
W5 O21 1.918(6) .
W5 O17 1.960(6) .
W5 O2 2.042(6) .
W5 O18 2.341(6) .
W6 O22 1.738(7) .
W6 O23 1.794(6) .
W6 O21 1.898(6) .
W6 O24 1.964(6) .
W6 O3 2.030(6) .
W6 O25 2.339(6) .
W6 K3 3.844(3) 2_564
W6 K6 3.863(5) 2_564
W6 K4 4.000(3) 2_564
W7 O26 1.725(6) .
W7 O27 1.781(6) .
W7 O28 1.894(6) .
W7 O24 1.932(6) .
W7 O8 2.018(6) .
W7 O25 2.347(6) .
W7 K6 3.767(5) 2_564
W7 K3 3.785(2) 2_564
W8 O29 1.733(6) .
W8 O30 1.807(6) .
W8 O28 1.914(6) .
W8 O31 1.949(6) .
W8 O9 2.022(6) .
W8 O32 2.327(5) .
W8 K2 3.899(2) 2_565
W8 K4 3.922(3) 1_655
W8 K3 4.138(2) 1_655
W9 O34 1.750(7) .
W9 O33 1.783(6) .
W9 O16 1.901(6) .
W9 O31 1.956(6) .
W9 O12 2.033(6) .
W9 O32 2.338(6) .
W9 K2 3.819(2) 2_565
W9 K5 4.098(4) .
Ni1 O35 2.009(6) .
Ni1 O36 2.014(6) .
Ni1 O19 2.043(7) .
Ni1 O15 2.057(6) .
Ni1 O37 2.076(7) .
Ni1 O18 2.211(6) .
Ni1 Ni4 2.9643(15) .
Ni1 K8 3.696(12) 1_545
Ni2 O35 2.016(6) .
Ni2 O39 2.030(6) .
Ni2 O27 2.060(6) .
Ni2 O38 2.061(7) .
Ni2 O23 2.088(6) .
Ni2 O25 2.219(6) .
Ni2 Ni4 2.9379(15) .
Ni3 O36 2.008(6) .
Ni3 O39 2.019(6) .
Ni3 O30 2.039(6) .
Ni3 O40 2.060(6) .
Ni3 O33 2.062(7) .
Ni3 O32 2.187(6) .
Ni3 Ni4 2.9280(15) .
Ni3 K5 3.480(4) .
Ni4 O41 2.037(6) .
Ni4 O42 2.045(6) .
Ni4 O39 2.056(6) .
Ni4 O35 2.063(6) .
Ni4 O36 2.065(6) .
Ni4 O43 2.073(7) .
Ni4 K1 3.452(3) .
Si1 O25 1.631(6) .
Si1 O18 1.632(6) .
Si1 O32 1.639(6) .
Si1 O6 1.655(6) .
O1 K2 2.654(7) .
O1 K4 2.863(8) 2_564
O2 Na1 2.578(8) .
O3 K3 2.866(7) 2_564
O3 K4 3.189(7) 2_564
O4 K3 2.950(7) 2_564
O5 Na1 2.594(8) .
O7 K4 3.065(8) 1_655
O8 K3 2.806(7) 2_564
O9 K2 2.903(7) 2_565
O9 K4 3.195(7) 1_655
O10 K6 2.793(8) .
O10 K2 2.913(7) 2_565
O11 K3 2.670(7) .
O11 K7 2.948(11) 2_565
O12 K2 2.795(6) 2_565
O13 Na1 2.593(8) .
O13 K7 2.986(10) 2_565
O14 K7 2.790(10) 2_565
O15 K8 3.084(15) 1_545
O17 Na1 2.759(9) .
O19 K8 3.390(17) 1_545
O22 K4 3.057(8) 2_564
O23 K6 3.419(8) 2_564
O24 K3 2.751(7) 2_564
O24 K6 2.829(8) 2_564
O26 K2 2.709(7) 1_655
O27 K6 3.334(8) 2_564
O29 K3 2.634(7) 1_655
O29 K4 2.905(8) 1_655
O30 K5 2.944(8) .
O31 K2 2.803(7) 2_565
O33 K5 2.789(8) .
O37 C1 1.247(12) .
O37 K8 2.666(14) 1_545
O38 C13 1.228(11) .
O40 C7 1.246(11) .
O40 K5 2.672(8) .
O41 C1 1.230(11) .
O41 K1 2.711(7) .
O42 C13 1.255(12) .
O42 K1 2.742(7) .
O43 C7 1.241(12) .
O43 K1 2.705(7) .
S1 C5 1.622(17) .
S1 C4 1.703(17) .
S1 K1 3.640(5) .
S2 C11 1.644(16) .
S2 C12 1.719(13) .
S2 K8 3.225(16) 1_645
S2 K1 3.595(5) .
S3 C17 1.643(16) .
S3 C18 1.708(14) .
S3 K8 3.274(17) 1_645
S3 K1 3.687(6) .
C1 C2 1.523(13) .
C2 C3 1.494(14) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.361(16) .
C3 C6 1.395(14) .
C3 K1 3.406(10) .
C4 K1 3.455(15) .
C4 H4 0.9300 .
C5 C6 1.427(17) .
C5 K7 3.109(17) 1_645
C5 K1 3.531(14) .
C5 H5 0.9300 .
C6 K1 3.361(13) .
C6 K7 3.463(13) 1_645
C6 H6 0.9300 .
C7 C8 1.514(15) .
C8 C9 1.498(14) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C12 1.328(17) .
C9 C10 1.382(16) .
C9 K1 3.416(11) .
C10 C11 1.38(2) .
C10 K1 3.364(13) .
C10 H10 0.9300 .
C11 K1 3.429(13) .
C11 H11 0.9300 .
C12 K8 3.51(2) 1_645
C12 K1 3.518(16) .
C12 H12 0.9300 .
C13 C14 1.527(13) .
C14 C15 1.546(14) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C18 1.35(2) .
C15 C16 1.408(17) .
C15 K1 3.431(11) .
C16 C17 1.43(2) .
C16 K1 3.327(14) .
C16 H16 0.9300 .
C17 K1 3.424(13) .
C17 H17 0.9300 .
C18 H18 0.9300 .
K2 O26 2.709(7) 1_455
K2 O12 2.795(6) 2_464
K2 O31 2.803(7) 2_464
K2 O1W 2.881(13) .
K2 O9 2.903(7) 2_464
K2 O10 2.913(7) 2_464
K2 O11W 3.11(3) 2_465
K2 W3 3.739(2) 2_464
K2 W9 3.819(2) 2_464
K2 W2 3.853(3) 2_464
K2 W8 3.899(2) 2_464
K3 O29 2.634(7) 1_455
K3 O24 2.751(7) 2_465
K3 O8 2.806(7) 2_465
K3 O3 2.866(7) 2_465
K3 O4 2.950(7) 2_465
K3 O12W 3.03(2) .
K3 W7 3.785(2) 2_465
K3 W2 3.785(3) 2_465
K3 W6 3.844(3) 2_465
K3 W1 3.870(3) 2_465
K3 K7 4.064(9) 2_565
K4 O8W 2.718(13) .
K4 O2W 2.786(11) .
K4 O1 2.863(8) 2_465
K4 O29 2.905(8) 1_455
K4 O22 3.057(8) 2_465
K4 O7 3.065(8) 1_455
K4 O3 3.189(7) 2_465
K4 O9 3.195(7) 1_455
K4 W1 3.755(3) 2_465
K4 W2 3.871(3) 1_455
K4 W8 3.922(3) 1_455
K4 W6 4.000(3) 2_465
K5 O3W 2.715(14) .
K5 O5W 2.720(13) 2_565
K5 O9W 2.82(2) .
K5 O6W 3.411(12) .
K5 K7 4.452(11) 2_665
K5 K6 4.458(6) 2_565
K6 O4W 2.725(13) .
K6 O5W 2.828(11) .
K6 O24 2.829(8) 2_465
K6 O6W 3.254(15) 2_464
K6 O27 3.334(8) 2_465
K6 O23 3.419(8) 2_465
K6 W7 3.767(5) 2_465
K6 W6 3.863(5) 2_465
K6 K2 4.314(6) 2_565
K6 K5 4.458(6) 2_464
K7 O10W 2.74(2) .
K7 O14 2.790(10) 2_464
K7 O2W 2.797(16) .
K7 O9W 2.87(2) 2_364
K7 O11 2.948(11) 2_464
K7 O13 2.986(10) 2_464
K7 C5 3.109(17) 1_465
K7 C6 3.463(13) 1_465
K7 W4 3.600(7) 2_464
K7 W3 3.609(8) 2_464
K7 K3 4.064(9) 2_464
K7 Na1 4.430(10) 2_464
K8 O37 2.666(14) 1_565
K8 O3W 2.897(19) 2_464
K8 O15 3.084(15) 1_565
K8 S2 3.225(16) 1_465
K8 S3 3.274(17) 1_465
K8 O19 3.390(17) 1_565
K8 C12 3.51(2) 1_465
K8 Ni1 3.696(12) 1_565
K8 K1 4.995(12) 1_465
Na1 O1W 2.458(18) .
Na1 O12W 2.47(3) .
Na1 O7W 2.644(17) .
Na1 O10W 2.71(3) 2_565
Na1 K7 4.430(10) 2_565
O3W K8 2.897(19) 2_565
O5W K5 2.720(13) 2_464
O6W K6 3.254(15) 2_565
O9W K7 2.87(2) 2_665
O10W Na1 2.71(3) 2_464
O11W K2 3.11(3) 2_564
