##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_global
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2005-01-31
_journal_date_accepted     2005-03-09
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2005
_journal_volume     61
_journal_issue      4
_journal_page_first     i49
_journal_page_last     i51
_journal_paper_category     EI
_publ_contact_author
;
Susan J. Cline Schäffer
The Technical University of Denmark
The Department of Chemistry
Building 207
DK-2800 Lyngby
Denmark
;
_publ_contact_author_email     ss@kemi.dtu.dk
_publ_contact_author_fax     '(+45) 4588 3136'
_publ_contact_author_phone     '(+45) 4525 2441'
_publ_section_title
;
Octapotassium
di-μ-sulfato-κ²O:O'-bis[cis-dioxo-cis-disulfatotungstate(VI)]
;
loop_
    _publ_author_name
    _publ_author_address
    'Susan J. Cline Schäffer'
;
The Technical University of Denmark
The Department of Chemistry
Building 207
DK-2800 Lyngby
Denmark
;
    'Rolf W. Berg'
;
The Technical University of Denmark
The Department of Chemistry
Building 207
DK-2800 Lyngby
Denmark
;
data_I
_chemical_name_systematic
;
Octapotassium
di-μ-sulfato-κ²O:O'-bis[cis-dioxo-cis-disulfatotungstate(VI)]
;
_chemical_name_common     ?
_chemical_formula_moiety     '8K +, O28 S6 W2 8-'
_chemical_formula_sum     'K8 O28 S6 W2'
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac     'K8 [W O4 (S O4)6]'
_chemical_formula_weight     1320.86
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     '-P 2yn'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     9.4362(5)
_cell_length_b     13.9625(7)
_cell_length_c     10.1948(5)
_cell_angle_alpha     90.00
_cell_angle_beta     90.7800(10)
_cell_angle_gamma     90.00
_cell_volume     1343.07(12)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     5682
_cell_measurement_theta_min     2.5
_cell_measurement_theta_max     28.0
_cell_measurement_temperature     120(2)
_exptl_crystal_description     tabular
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.18
_exptl_crystal_size_mid     0.10
_exptl_crystal_size_min     0.05
_exptl_crystal_density_diffrn     3.266
_exptl_crystal_density_meas     'not measured'
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     1240
_exptl_absorpt_coefficient_mu     10.380
_exptl_absorpt_correction_type     'integration'
_exptl_absorpt_process_details     'XPREP (Bruker, 2001)'
_exptl_absorpt_correction_T_min     0.2449
_exptl_absorpt_correction_T_max     0.6187
_exptl_special_details
;
;
_diffrn_ambient_temperature     120(2)
_diffrn_radiation_type     'MoK\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'normal-focus sealed tube'
_diffrn_radiation_monochromator     'graphite'
_diffrn_measurement_device_type     ?
_diffrn_measurement_device     'Bruker Platform/CCD'
_diffrn_measurement_method     'profile data from ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     13095
_diffrn_reflns_av_R_equivalents     0.0190
_diffrn_reflns_av_sigmaI/netI     0.0136
_diffrn_reflns_theta_min     2.47
_diffrn_reflns_theta_max     25.34
_diffrn_reflns_theta_full     25.34
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -16
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_l_min     -12
_diffrn_reflns_limit_l_max     12
_diffrn_standards_number     242
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     345
_diffrn_standards_decay_%     0.4
_refine_special_details
;
Five frame series were filtered for statistical outliers then corrected
for
absorption by integration using SHELXTL/XPREP (Bruker, 2001) before using
SAINT/SADABS (Bruker, 2002) to sort, merge, and scale the combined data.
A series of identical frames was collected twice during the experiment to
monitor decay.  No decay correction was applied.
Systematic conditions suggested the unambiguous space group. The structure
was solved by direct methods (Sheldrick, 2001). The space group choice was
confirmed by successful convergence of the full-matrix least-squares
refinement on F² (Sheldrick, 2001).  The highest peaks in the final
difference Fourier map were 0.98Å and 0.87Å from atoms W1 and O1,
respectively; the deepest hole was 0.74Å from S3. The final map had
no other significant features. A final analysis of variance between
observed and calculated structure factors showed no dependence on
amplitude
or resolution.
;
_reflns_number_total     2458
_reflns_number_gt     2429
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0136
_refine_ls_R_factor_gt     0.0132
_refine_ls_wR_factor_gt     0.0309
_refine_ls_wR_factor_ref     0.0311
_refine_ls_goodness_of_fit_ref     1.125
_refine_ls_restrained_S_all     1.125
_refine_ls_number_reflns     2458
_refine_ls_number_parameters     199
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
          'w = 1/[σ²(Fo²)+(0.0121P)²+2.1788P] where P = (Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.576
_refine_diff_density_min     -0.439
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    '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'
    'S' 'S' 0.1246 0.1234
                         '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'
_computing_data_collection     'SMART (Bruker, 2002)'
_computing_cell_refinement     'SAINT (Bruker, 2002)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXTL (Bruker, 2002)'
_computing_structure_refinement     'SHELXTL'
_computing_molecular_graphics     'SHELXTL'
_computing_publication_material     'CIFTAB in SHELX-97-2 (Sheldrick, 2001)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    W1 0.167155(11) 0.378486(7) 0.083299(10) 0.00768(4) Uani d . 1 . . W
    S1 0.08697(7) 0.49756(5) -0.20754(6) 0.00853(13) Uani d . 1 . . S
    S2 0.47796(7) 0.28010(5) 0.02132(7) 0.01076(14) Uani d . 1 . . S
    S3 0.02707(7) 0.15499(5) 0.04722(6) 0.00912(13) Uani d . 1 . . S
    O1 0.2338(2) 0.49339(14) 0.09336(19) 0.0153(4) Uani d . 1 . . O
    O2 0.2094(2) 0.33519(14) 0.23580(19) 0.0137(4) Uani d . 1 . . O
    O3 0.0958(2) 0.41250(13) -0.12018(18) 0.0115(4) Uani d . 1 . . O
    O4 0.03432(19) 0.58184(13) -0.12471(19) 0.0114(4) Uani d . 1 . . O
    O5 -0.0130(2) 0.47739(14) -0.31210(18) 0.0135(4) Uani d . 1 . . O
    O6 0.2256(2) 0.52544(13) -0.25320(19) 0.0130(4) Uani d . 1 . . O
    O7 0.3270(2) 0.32171(15) -0.01132(19) 0.0166(4) Uani d . 1 . . O
    O8 0.4858(2) 0.26308(15) 0.16109(19) 0.0178(4) Uani d . 1 . . O
    O9 0.4873(3) 0.19490(17) -0.0578(2) 0.0308(6) Uani d . 1 . . O
    O10 0.5747(3) 0.35493(19) -0.0166(3) 0.0338(6) Uani d . 1 . . O
    O11 0.0556(2) 0.25956(13) 0.01147(19) 0.0133(4) Uani d . 1 . . O
    O12 0.1453(2) 0.11950(13) 0.1276(2) 0.0160(4) Uani d . 1 . . O
    O13 0.0135(2) 0.10445(14) -0.0768(2) 0.0181(5) Uani d . 1 . . O
    O14 -0.1057(2) 0.15340(15) 0.1199(2) 0.0167(4) Uani d . 1 . . O
    K1 0.32372(6) 0.17573(4) 0.33893(6) 0.01357(13) Uani d . 1 . . K
    K2 0.50716(6) 0.50475(5) 0.19847(6) 0.01533(13) Uani d . 1 . . K
    K3 0.20905(6) 0.46053(5) 0.47727(6) 0.01602(13) Uani d . 1 . . K
    K4 0.24597(6) 0.21985(4) -0.22989(6) 0.01415(13) Uani d . 1 . . K
_geom_special_details
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate
(isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    W1 O1 . 1.7258(19) y
    W1 O2 . 1.7102(19) y
    W1 O3 . 2.2237(19) y
    W1 O4 3_565 2.0302(18) y
    W1 O7 . 1.9681(19) y
    W1 O11 . 2.0930(18) y
    W1 K2 . 3.8311(6) ?
    W1 K4 . 3.9646(6) ?
    W1 K1 . 4.1090(6) ?
    S1 O5 . 1.441(2) ?
    S1 O6 . 1.447(2) ?
    S1 O3 . 1.4861(19) y
    S1 O4 . 1.5349(19) y
    S2 O9 . 1.441(2) ?
    S2 O10 . 1.443(2) ?
    S2 O8 . 1.445(2) ?
    S2 O7 . 1.5700(19) y
    S2 K4 . 3.4505(9) ?
    S2 K2 . 3.6281(9) ?
    S3 O13 . 1.452(2) ?
    S3 O12 . 1.462(2) ?
    S3 O14 . 1.464(2) ?
    S3 O11 . 1.5296(19) y
    S3 K4 . 3.6369(9) ?
    O1 K1 2 2.695(2) ?
    O1 K2 . 2.784(2) ?
    O2 K1 . 2.682(2) y
    O8 K1 . 2.681(2) y
    O6 K2 3_665 2.610(2) y
    O5 K3 3_565 2.632(2) y
    O8 K4 4_666 2.692(2) y
    O8 K2 . 3.401(2) y
    O2 K3 . 3.020(2) ?
    O3 K1 4_565 2.873(2) ?
    O3 K4 . 3.246(2) ?
    O4 W1 3_565 2.0302(18) ?
    O4 K4 2_554 3.208(2) ?
    O5 K3 1_554 3.029(2) ?
    O5 K1 4_565 3.063(2) ?
    O6 K4 2_554 2.733(2) ?
    O6 K3 1_554 2.896(2) ?
    O7 K4 . 2.743(2) ?
    O9 K4 . 2.877(2) ?
    O9 K3 4_665 3.033(2) ?
    O10 K2 3_665 2.799(3) ?
    O10 K1 4_665 2.823(3) ?
    O10 K2 . 3.102(3) ?
    O11 K1 4_565 2.931(2) ?
    O11 K4 . 3.116(2) ?
    O12 K2 2_545 2.802(2) ?
    O12 K1 . 2.827(2) ?
    O12 K3 2_545 2.828(2) ?
    O13 K2 4_565 2.752(2) ?
    O13 K3 4_565 3.070(2) ?
    O13 K4 . 3.152(2) ?
    O14 K4 4_566 2.738(2) ?
    O14 K3 4_565 2.762(2) ?
    O14 K2 2_545 2.925(2) ?
    K1 O1 2_545 2.695(2) ?
    K1 O10 4_566 2.823(3) ?
    K1 O3 4_666 2.873(2) ?
    K1 O11 4_666 2.931(2) ?
    K1 O5 4_666 3.063(2) ?
    K1 K3 . 4.3605(9) ?
    K2 O6 3_665 2.610(2) ?
    K2 O13 4_666 2.752(2) ?
    K2 O10 3_665 2.799(3) ?
    K2 O12 2 2.802(2) ?
    K2 O14 2 2.925(2) ?
    K2 K3 . 4.0732(9) ?
    K3 O5 3_565 2.632(2) ?
    K3 O14 4_666 2.762(2) ?
    K3 O12 2 2.828(2) ?
    K3 O6 1_556 2.896(2) ?
    K3 O5 1_556 3.029(2) ?
    K3 O9 4_566 3.033(2) ?
    K3 O13 4_666 3.070(2) ?
    K4 O8 4_565 2.692(2) ?
    K4 O6 2_544 2.733(2) ?
    K4 O14 4_665 2.738(2) ?
    K4 O4 2_544 3.208(2) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O2 W1 O1 . . 101.20(9) y
    O2 W1 O7 . . 97.61(9) y
    O1 W1 O7 . . 97.03(9) y
    O2 W1 O4 . 3_565 96.59(8) y
    O1 W1 O4 . 3_565 94.34(9) y
    O7 W1 O4 . 3_565 159.71(8) y
    O2 W1 O11 . . 98.49(9) y
    O1 W1 O11 . . 159.97(8) y
    O7 W1 O11 . . 83.92(8) y
    O4 W1 O11 3_565 . 79.70(8) y
    O2 W1 O3 . . 170.94(8) y
    O1 W1 O3 . . 87.85(8) y
    O7 W1 O3 . . 81.56(8) y
    O4 W1 O3 3_565 . 82.13(7) y
    O11 W1 O3 . . 72.45(7) y
    O2 W1 K2 . . 72.55(7) ?
    O1 W1 K2 . . 41.49(7) ?
    O7 W1 K2 . . 72.03(6) ?
    O4 W1 K2 3_565 . 126.40(5) ?
    O11 W1 K2 . . 152.55(5) ?
    O3 W1 K2 . . 115.43(5) ?
    O2 W1 K4 . . 119.39(6) ?
    O1 W1 K4 . . 119.67(7) ?
    O7 W1 K4 . . 39.36(6) ?
    O4 W1 K4 3_565 . 120.43(5) ?
    O11 W1 K4 . . 51.24(6) ?
    O3 W1 K4 . . 54.96(5) ?
    K2 W1 K4 . . 109.780(13) ?
    O2 W1 K1 . . 26.17(7) ?
    O1 W1 K1 . . 118.37(7) ?
    O7 W1 K1 . . 76.23(6) ?
    O4 W1 K1 3_565 . 112.69(5) ?
    O11 W1 K1 . . 81.38(5) ?
    O3 W1 K1 . . 147.20(5) ?
    K2 W1 K1 . . 80.229(13) ?
    K4 W1 K1 . . 93.217(13) ?
    O5 S1 O6 . . 113.55(12) ?
    O5 S1 O3 . . 108.53(11) ?
    O6 S1 O3 . . 111.37(11) ?
    O5 S1 O4 . . 110.08(11) ?
    O6 S1 O4 . . 105.74(11) ?
    O3 S1 O4 . . 107.39(11) ?
    O9 S2 O10 . . 113.86(16) ?
    O9 S2 O8 . . 114.42(14) ?
    O10 S2 O8 . . 111.01(14) ?
    O9 S2 O7 . . 104.42(13) ?
    O10 S2 O7 . . 104.51(14) ?
    O8 S2 O7 . . 107.70(11) ?
    O9 S2 K4 . . 54.98(9) ?
    O10 S2 K4 . . 112.02(11) ?
    O8 S2 K4 . . 135.65(9) ?
    O7 S2 K4 . . 50.82(8) ?
    O9 S2 K2 . . 171.05(11) ?
    O10 S2 K2 . . 57.54(12) ?
    O8 S2 K2 . . 69.44(9) ?
    O7 S2 K2 . . 81.26(8) ?
    K4 S2 K2 . . 128.56(2) ?
    O13 S3 O12 . . 112.38(13) ?
    O13 S3 O14 . . 111.54(13) ?
    O12 S3 O14 . . 111.29(13) ?
    O13 S3 O11 . . 105.67(11) ?
    O12 S3 O11 . . 108.77(11) ?
    O14 S3 O11 . . 106.83(12) ?
    O13 S3 K4 . . 59.27(9) ?
    O12 S3 K4 . . 94.73(9) ?
    O14 S3 K4 . . 153.59(9) ?
    O11 S3 K4 . . 58.24(8) ?
    W1 O1 K1 . 2 144.97(10) ?
    W1 O1 K2 . . 114.26(9) ?
    K1 O1 K2 2 . 92.09(6) ?
    W1 O2 K1 . . 137.50(10) ?
    W1 O2 K3 . . 122.23(9) ?
    K1 O2 K3 . . 99.58(6) ?
    S1 O3 W1 . . 138.03(12) ?
    S1 O3 K1 . 4_565 102.32(9) ?
    W1 O3 K1 . 4_565 107.61(7) ?
    S1 O3 K4 . . 118.47(10) ?
    W1 O3 K4 . . 90.93(6) ?
    K1 O3 K4 4_565 . 89.32(5) ?
    S1 O4 W1 . 3_565 129.39(11) ?
    S1 O4 K4 . 2_554 89.44(8) ?
    W1 O4 K4 3_565 2_554 123.03(8) ?
    S1 O5 K3 . 3_565 148.88(12) ?
    S1 O5 K3 . 1_554 95.03(9) ?
    K3 O5 K3 3_565 1_554 93.39(6) ?
    S1 O5 K1 . 4_565 95.34(9) ?
    K3 O5 K1 3_565 4_565 101.38(6) ?
    K3 O5 K1 1_554 4_565 131.27(7) ?
    S1 O6 K2 . 3_665 139.68(12) ?
    S1 O6 K4 . 2_554 112.18(10) ?
    K2 O6 K4 3_665 2_554 94.49(6) ?
    S1 O6 K3 . 1_554 100.59(10) ?
    K2 O6 K3 3_665 1_554 101.05(6) ?
    K4 O6 K3 2_554 1_554 104.78(6) ?
    S2 O7 W1 . . 138.10(12) ?
    S2 O7 K4 . . 102.85(9) ?
    W1 O7 K4 . . 113.58(8) ?
    S2 O8 K1 . . 135.99(12) ?
    S2 O8 K4 . 4_666 115.26(11) ?
    K1 O8 K4 . 4_666 106.65(7) ?
    S2 O8 K2 . . 87.11(9) ?
    K1 O8 K2 . . 114.14(7) ?
    K4 O8 K2 4_666 . 79.26(5) ?
    S2 O9 K4 . . 100.81(11) ?
    S2 O9 K3 . 4_665 124.91(13) ?
    K4 O9 K3 . 4_665 134.25(8) ?
    S2 O10 K2 . 3_665 120.94(13) ?
    S2 O10 K1 . 4_665 124.31(16) ?
    K2 O10 K1 3_665 4_665 89.11(7) ?
    S2 O10 K2 . . 99.35(13) ?
    K2 O10 K2 3_665 . 86.49(8) ?
    K1 O10 K2 4_665 . 130.64(9) ?
    S3 O11 W1 . . 139.75(12) ?
    S3 O11 K1 . 4_565 107.75(9) ?
    W1 O11 K1 . 4_565 109.46(7) ?
    S3 O11 K4 . . 97.09(9) ?
    W1 O11 K4 . . 97.17(7) ?
    K1 O11 K4 4_565 . 90.84(5) ?
    S3 O12 K2 . 2_545 98.86(10) ?
    S3 O12 K1 . . 140.80(11) ?
    K2 O12 K1 2_545 . 88.97(6) ?
    S3 O12 K3 . 2_545 115.18(11) ?
    K2 O12 K3 2_545 2_545 92.68(6) ?
    K1 O12 K3 . 2_545 102.63(7) ?
    S3 O13 K2 . 4_565 174.14(13) ?
    S3 O13 K3 . 4_565 93.38(10) ?
    K2 O13 K3 4_565 4_565 88.62(6) ?
    S3 O13 K4 . . 97.41(10) ?
    K2 O13 K4 4_565 . 83.01(6) ?
    K3 O13 K4 4_565 . 154.06(8) ?
    S3 O14 K4 . 4_566 136.11(12) ?
    S3 O14 K3 . 4_565 106.39(11) ?
    K4 O14 K3 4_566 4_565 110.00(7) ?
    S3 O14 K2 . 2_545 93.68(10) ?
    K4 O14 K2 4_566 2_545 105.37(7) ?
    K3 O14 K2 4_565 2_545 96.78(6) ?
    O8 K1 O2 . . 65.63(6) ?
    O8 K1 O1 . 2_545 136.19(7) ?
    O2 K1 O1 . 2_545 143.43(6) ?
    O8 K1 O10 . 4_566 155.28(7) ?
    O2 K1 O10 . 4_566 89.85(7) ?
    O1 K1 O10 2_545 4_566 63.32(7) ?
    O8 K1 O12 . . 87.15(6) ?
    O2 K1 O12 . . 72.53(6) ?
    O1 K1 O12 2_545 . 79.22(6) ?
    O10 K1 O12 4_566 . 82.20(7) ?
    O8 K1 O3 . 4_666 77.08(6) ?
    O2 K1 O3 . 4_666 140.05(6) ?
    O1 K1 O3 2_545 4_666 74.96(6) ?
    O10 K1 O3 4_566 4_666 127.43(7) ?
    O12 K1 O3 . 4_666 120.87(6) ?
    O8 K1 O11 . 4_666 80.65(6) ?
    O2 K1 O11 . 4_666 105.80(6) ?
    O1 K1 O11 2_545 4_666 106.79(6) ?
    O10 K1 O11 4_566 4_666 110.70(7) ?
    O12 K1 O11 . 4_666 167.08(6) ?
    O3 K1 O11 4_666 4_666 52.18(5) ?
    O8 K1 O5 . 4_666 71.46(6) ?
    O2 K1 O5 . 4_666 125.78(6) ?
    O1 K1 O5 2_545 4_666 64.78(6) ?
    O10 K1 O5 4_566 4_666 125.77(7) ?
    O12 K1 O5 . 4_666 73.83(6) ?
    O3 K1 O5 4_666 4_666 47.07(5) ?
    O11 K1 O5 4_666 4_666 98.06(5) ?
    O8 K1 W1 . . 57.40(4) ?
    O2 K1 W1 . . 16.33(4) ?
    O1 K1 W1 2_545 . 137.85(5) ?
    O10 K1 W1 4_566 . 98.09(6) ?
    O12 K1 W1 . . 60.18(4) ?
    O3 K1 W1 4_666 . 134.46(4) ?
    O11 K1 W1 4_666 . 115.29(4) ?
    O5 K1 W1 4_666 . 109.94(4) ?
    O8 K1 K3 . . 87.15(5) ?
    O2 K1 K3 . . 43.08(4) ?
    O1 K1 K3 2_545 . 136.63(5) ?
    O10 K1 K3 4_566 . 75.97(5) ?
    O12 K1 K3 . . 110.60(4) ?
    O3 K1 K3 4_666 . 124.70(4) ?
    O11 K1 K3 4_666 . 73.22(4) ?
    O5 K1 K3 4_666 . 158.11(4) ?
    W1 K1 K3 . . 59.215(12) ?
    O6 K2 O13 3_665 4_666 73.89(6) ?
    O6 K2 O1 3_665 . 163.86(6) ?
    O13 K2 O1 4_666 . 107.36(7) ?
    O6 K2 O10 3_665 3_665 120.78(7) ?
    O13 K2 O10 4_666 3_665 160.39(8) ?
    O1 K2 O10 . 3_665 62.55(6) ?
    O6 K2 O12 3_665 2 117.39(6) ?
    O13 K2 O12 4_666 2 78.19(6) ?
    O1 K2 O12 . 2 78.18(6) ?
    O10 K2 O12 3_665 2 83.09(7) ?
    O6 K2 O14 3_665 2 71.41(6) ?
    O13 K2 O14 4_666 2 82.12(6) ?
    O1 K2 O14 . 2 124.68(6) ?
    O10 K2 O14 3_665 2 90.30(7) ?
    O12 K2 O14 2 2 49.84(6) ?
    O6 K2 O10 3_665 . 80.50(6) ?
    O13 K2 O10 4_666 . 102.26(6) ?
    O1 K2 O10 . . 83.55(6) ?
    O10 K2 O10 3_665 . 93.51(8) ?
    O12 K2 O10 2 . 160.89(6) ?
    O14 K2 O10 2 . 149.23(6) ?
    O6 K2 O8 3_665 . 85.37(6) ?
    O13 K2 O8 4_666 . 62.89(6) ?
    O1 K2 O8 . . 81.21(6) ?
    O10 K2 O8 3_665 . 127.21(7) ?
    O12 K2 O8 2 . 127.45(6) ?
    O14 K2 O8 2 . 142.44(6) ?
    O10 K2 O8 . . 42.64(6) ?
    O6 K2 S2 3_665 . 91.91(5) ?
    O13 K2 S2 4_666 . 86.33(5) ?
    O1 K2 S2 . . 72.27(4) ?
    O10 K2 S2 3_665 . 104.89(6) ?
    O12 K2 S2 2 . 140.64(5) ?
    O14 K2 S2 2 . 161.80(5) ?
    O10 K2 S2 . . 23.11(4) ?
    O8 K2 S2 . . 23.45(3) ?
    O6 K2 W1 3_665 . 142.56(5) ?
    O13 K2 W1 4_666 . 90.50(5) ?
    O1 K2 W1 . . 24.25(4) ?
    O10 K2 W1 3_665 . 84.07(5) ?
    O12 K2 W1 2 . 91.26(4) ?
    O14 K2 W1 2 . 141.10(4) ?
    O10 K2 W1 . . 69.66(4) ?
    O8 K2 W1 . . 57.39(3) ?
    S2 K2 W1 . . 52.554(14) ?
    O6 K2 K3 3_665 . 120.06(5) ?
    O13 K2 K3 4_666 . 48.89(5) ?
    O1 K2 K3 . . 67.35(4) ?
    O10 K2 K3 3_665 . 112.43(6) ?
    O12 K2 K3 2 . 43.91(4) ?
    O14 K2 K3 2 . 83.25(4) ?
    O10 K2 K3 . . 122.77(5) ?
    O8 K2 K3 . . 83.53(4) ?
    S2 K2 K3 . . 99.66(2) ?
    W1 K2 K3 . . 63.939(14) ?
    O5 K3 O14 3_565 4_666 163.90(7) ?
    O5 K3 O12 3_565 2 80.84(6) ?
    O14 K3 O12 4_666 2 110.10(6) ?
    O5 K3 O6 3_565 1_556 122.16(6) ?
    O14 K3 O6 4_666 1_556 69.84(6) ?
    O12 K3 O6 2 1_556 95.33(6) ?
    O5 K3 O2 3_565 . 71.21(6) ?
    O14 K3 O2 4_666 . 95.02(6) ?
    O12 K3 O2 2 . 98.09(6) ?
    O6 K3 O2 1_556 . 162.58(6) ?
    O5 K3 O5 3_565 1_556 86.61(6) ?
    O14 K3 O5 4_666 1_556 96.34(6) ?
    O12 K3 O5 2 1_556 123.45(6) ?
    O6 K3 O5 1_556 1_556 48.07(5) ?
    O2 K3 O5 . 1_556 129.14(6) ?
    O5 K3 O9 3_565 4_566 71.47(6) ?
    O14 K3 O9 4_666 4_566 94.63(7) ?
    O12 K3 O9 2 4_566 148.78(6) ?
    O6 K3 O9 1_556 4_566 111.34(6) ?
    O2 K3 O9 . 4_566 59.85(6) ?
    O5 K3 O9 1_556 4_566 69.90(6) ?
    O5 K3 O13 3_565 4_666 129.35(6) ?
    O14 K3 O13 4_666 4_666 48.49(6) ?
    O12 K3 O13 2 4_666 72.74(6) ?
    O6 K3 O13 1_556 4_666 102.98(6) ?
    O2 K3 O13 . 4_666 70.79(5) ?
    O5 K3 O13 1_556 4_666 143.91(6) ?
    O9 K3 O13 4_566 4_666 114.42(7) ?
    O5 K3 K2 3_565 . 89.42(5) ?
    O14 K3 K2 4_666 . 90.94(4) ?
    O12 K3 K2 2 . 43.40(4) ?
    O6 K3 K2 1_556 . 125.87(4) ?
    O2 K3 K2 . . 60.70(4) ?
    O5 K3 K2 1_556 . 166.82(4) ?
    O9 K3 K2 4_566 . 120.55(5) ?
    O13 K3 K2 4_666 . 42.49(4) ?
    O5 K3 K1 3_565 . 105.59(5) ?
    O14 K3 K1 4_666 . 59.14(5) ?
    O12 K3 K1 2 . 118.00(5) ?
    O6 K3 K1 1_556 . 125.59(4) ?
    O2 K3 K1 . . 37.34(4) ?
    O5 K3 K1 1_556 . 118.50(4) ?
    O9 K3 K1 4_566 . 58.88(5) ?
    O13 K3 K1 4_666 . 55.63(4) ?
    K2 K3 K1 . . 74.678(16) ?
    O8 K4 O6 4_565 2_544 98.73(6) ?
    O8 K4 O14 4_565 4_665 100.49(7) ?
    O6 K4 O14 2_544 4_665 123.73(6) ?
    O8 K4 O7 4_565 . 122.14(6) ?
    O6 K4 O7 2_544 . 122.65(6) ?
    O14 K4 O7 4_665 . 88.87(6) ?
    O8 K4 O9 4_565 . 166.53(7) ?
    O6 K4 O9 2_544 . 80.82(6) ?
    O14 K4 O9 4_665 . 90.75(7) ?
    O7 K4 O9 . . 50.05(6) ?
    O8 K4 O11 4_565 . 77.17(6) ?
    O6 K4 O11 2_544 . 106.54(6) ?
    O14 K4 O11 4_665 . 129.15(6) ?
    O7 K4 O11 . . 54.81(6) ?
    O9 K4 O11 . . 90.00(6) ?
    O8 K4 O13 4_565 . 67.22(6) ?
    O6 K4 O13 2_544 . 66.00(6) ?
    O14 K4 O13 4_665 . 166.38(6) ?
    O7 K4 O13 . . 92.92(6) ?
    O9 K4 O13 . . 100.75(7) ?
    O11 K4 O13 . . 44.56(5) ?
    O8 K4 O4 4_565 2_544 116.99(6) ?
    O6 K4 O4 2_544 2_544 46.34(5) ?
    O14 K4 O4 4_665 2_544 77.95(6) ?
    O7 K4 O4 . 2_544 120.80(6) ?
    O9 K4 O4 . 2_544 72.42(6) ?
    O11 K4 O4 . 2_544 148.74(5) ?
    O13 K4 O4 . 2_544 112.34(5) ?
    O8 K4 O3 4_565 . 70.66(6) ?
    O6 K4 O3 2_544 . 152.66(6) ?
    O14 K4 O3 4_665 . 83.46(6) ?
    O7 K4 O3 . . 53.75(5) ?
    O9 K4 O3 . . 103.65(6) ?
    O11 K4 O3 . . 47.26(5) ?
    O13 K4 O3 . . 86.73(5) ?
    O4 K4 O3 2_544 . 160.88(5) ?
    O8 K4 S2 4_565 . 148.30(5) ?
    O6 K4 S2 2_544 . 103.12(5) ?
    O14 K4 S2 4_665 . 86.20(5) ?
    O7 K4 S2 . . 26.33(4) ?
    O9 K4 S2 . . 24.21(4) ?
    O11 K4 S2 . . 74.77(4) ?
    O13 K4 S2 . . 101.30(4) ?
    O4 K4 S2 2_544 . 94.70(4) ?
    O3 K4 S2 . . 79.51(4) ?
    O8 K4 S3 4_565 . 79.53(5) ?
    O6 K4 S3 2_544 . 81.90(4) ?
    O14 K4 S3 4_665 . 153.59(5) ?
    O7 K4 S3 . . 69.70(5) ?
    O9 K4 S3 . . 87.09(6) ?
    O11 K4 S3 . . 24.67(4) ?
    O13 K4 S3 . . 23.32(4) ?
    O4 K4 S3 2_544 . 125.93(4) ?
    O3 K4 S3 . . 71.54(4) ?
    S2 K4 S3 . . 81.11(2) ?
    O8 K4 W1 4_565 . 95.92(5) ?
    O6 K4 W1 2_544 . 128.70(4) ?
    O14 K4 W1 4_665 . 101.09(5) ?
    O7 K4 W1 . . 27.06(4) ?
    O9 K4 W1 . . 74.46(5) ?
    O11 K4 W1 . . 31.59(3) ?
    O13 K4 W1 . . 75.37(4) ?
    O4 K4 W1 2_544 . 146.84(4) ?
    O3 K4 W1 . . 34.11(3) ?
    S2 K4 W1 . . 52.420(14) ?
    S3 K4 W1 . . 53.042(14) ?
