#------------------------------------------------------------------------------
#$Date: 2016-07-15 13:04:02 +0300 (Fri, 15 Jul 2016) $
#$Revision: 184482 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/03/2240399.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2240399
loop_
_publ_author_name
'Joo, Hea-Chung'
'Park, Ki-Min'
'Lee, Uk'
_publ_section_title
;
 Crystal structure of the Anderson-type heteropolyoxometalate;
 K₂[H₇CrIIIMo₆O₂₄]·8H₂O: a redetermination revealing
 the position of the extra H atom in the polyanion
;
_journal_coeditor_code           BR2242
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              157
_journal_page_last               160
_journal_paper_doi               10.1107/S2056989015000390
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'K2 [H7 Cr Mo6 O24], 8H2 O'
_chemical_formula_structural     '2(K +), Cr H7 Mo6 O24 2-, 8(H2 O)'
_chemical_formula_sum            'Cr H23 K2 Mo6 O32'
_chemical_formula_weight         1241.02
_chemical_name_systematic
;
Dipotassium heptahydrogen hexamolybdochromate(III) octahydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'form.cif (version 2.0)'
_cell_angle_alpha                99.2960(10)
_cell_angle_beta                 94.4690(10)
_cell_angle_gamma                99.2830(10)
_cell_formula_units_Z            2
_cell_length_a                   10.4588(2)
_cell_length_b                   10.8553(2)
_cell_length_c                   12.6287(3)
_cell_measurement_reflns_used    9896
_cell_measurement_temperature    446(2)
_cell_measurement_theta_max      33.51
_cell_measurement_theta_min      2.51
_cell_volume                     1388.44(5)
_computing_cell_refinement
;
SAINT (Bruker, 2009)
;
_computing_data_collection
;
APEX2 (Bruker, 2009)
;
_computing_data_reduction
;
SAINT (Bruker, 2009)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012), PLATON (Spek, 2009) and
DIAMOND (Brandenburg, 1998)
;
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      446(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'graphite multilayer'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_sigmaI/netI    0.0195
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            23489
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    3.419
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6446
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2008)
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.968
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1186
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.579
_refine_diff_density_min         -0.673
_refine_ls_extinction_coef       0.00391(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL97 (Sheldrick, 2008)
;
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         6028
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0238
_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)+(0.0255P)²+6.3059P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0644
_reflns_number_gt                5893
_reflns_number_total             6028
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            br2242sup1.cf
_cod_data_source_block           I
_cod_database_code               2240399
_cod_database_fobs_code          2240399
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_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_symmetry_multiplicity
Cr Cr1 0.5000 0.0000 1.0000 0.00813(15) Uani d S 1 2
Cr Cr2 0.5000 0.5000 0.5000 0.00762(15) Uani d S 1 2
Mo Mo1 0.23267(3) 0.13627(3) 0.99546(2) 0.01127(8) Uani d . 1 2
Mo Mo2 0.20792(3) -0.17249(3) 0.90598(2) 0.01086(8) Uani d . 1 2
Mo Mo3 0.47636(3) -0.31129(3) 0.92212(2) 0.01051(8) Uani d . 1 2
Mo Mo4 0.79232(3) 0.42389(3) 0.46268(2) 0.00994(8) Uani d . 1 2
Mo Mo5 0.52144(3) 0.19391(3) 0.43518(2) 0.00938(8) Uani d . 1 2
Mo Mo6 0.23147(3) 0.27465(3) 0.46825(2) 0.00952(8) Uani d . 1 2
K K1 0.06894(8) 0.02275(9) 0.66878(7) 0.02014(17) Uani d . 1 2
K K2 0.92835(8) 0.58495(9) 0.77823(7) 0.02212(18) Uani d . 1 2
O O1C 0.4157(2) 0.1138(2) 1.0986(2) 0.0113(5) Uani d . 1 2
H H1 0.414(6) 0.100(5) 1.151(5) 0.033(16) Uiso d . 1 2
O O2C 0.3526(2) 0.0070(2) 0.8952(2) 0.0099(5) Uani d . 1 2
H H2 0.362(5) 0.029(5) 0.842(4) 0.028(14) Uiso d . 1 2
O O3C 0.3916(2) -0.1598(2) 1.0194(2) 0.0109(5) Uani d . 1 2
H H3 0.386(5) -0.166(5) 1.083(5) 0.034(15) Uiso d . 1 2
O O4B 0.1720(2) -0.0378(2) 1.0107(2) 0.0137(5) Uani d . 1 2
O O5B 0.3370(2) -0.2592(2) 0.83029(19) 0.0121(5) Uani d D 1 2
H H5 0.334(9) -0.271(9) 0.7314(10) 0.12(3) Uiso d D 1 2
O O6B 0.6225(2) -0.2660(2) 1.0259(2) 0.0131(5) Uani d . 1 2
O O7T 0.1329(3) 0.1463(3) 0.8855(2) 0.0196(6) Uani d . 1 2
O O8T 0.1748(3) 0.2124(3) 1.1047(2) 0.0201(6) Uani d . 1 2
O O9T 0.1160(3) -0.1627(3) 0.7911(2) 0.0171(5) Uani d . 1 2
O O10T 0.1270(3) -0.2975(3) 0.9535(2) 0.0192(6) Uani d . 1 2
O O11T 0.3862(3) -0.4281(3) 0.9735(2) 0.0184(5) Uani d . 1 2
O O12T 0.5387(3) -0.3860(2) 0.8119(2) 0.0158(5) Uani d . 1 2
O O13C 0.4147(2) 0.3516(2) 0.3922(2) 0.0099(5) Uani d . 1 2
H H13 0.415(5) 0.359(5) 0.338(4) 0.015(12) Uiso d . 1 2
O O14C 0.3526(2) 0.4487(2) 0.5815(2) 0.0100(5) Uani d . 1 2
H H14 0.357(5) 0.437(5) 0.643(4) 0.019(12) Uiso d . 1 2
O O15C 0.3920(2) 0.6197(2) 0.4556(2) 0.0096(5) Uani d . 1 2
H H15 0.376(5) 0.616(5) 0.395(5) 0.034(15) Uiso d . 1 2
O O16B 0.6638(2) 0.2882(2) 0.36714(19) 0.0110(5) Uani d . 1 2
O O17B 0.8278(2) 0.5773(2) 0.56733(19) 0.0113(5) Uani d . 1 2
O O18B 0.3755(2) 0.1934(2) 0.5151(2) 0.0116(5) Uani d . 1 2
O O19T 0.8822(3) 0.4581(3) 0.3615(2) 0.0179(5) Uani d . 1 2
O O20T 0.8741(3) 0.3335(3) 0.5323(2) 0.0187(6) Uani d . 1 2
O O21T 0.6089(2) 0.1094(3) 0.5064(2) 0.0165(5) Uani d . 1 2
O O22T 0.4583(3) 0.0957(2) 0.3159(2) 0.0157(5) Uani d . 1 2
O O23T 0.1361(2) 0.2368(3) 0.5654(2) 0.0155(5) Uani d . 1 2
O O24T 0.1681(3) 0.1718(3) 0.3527(2) 0.0176(5) Uani d . 1 2
O O25W 0.8716(3) 0.0732(3) 0.5305(2) 0.0206(6) Uani d D 1 2
H H25A 0.783(3) 0.069(5) 0.535(4) 0.031 Uiso d D 1 2
H H25B 0.891(5) 0.159(3) 0.530(4) 0.031 Uiso d D 1 2
O O26W 0.8483(3) 0.0653(3) 0.7784(2) 0.0235(6) Uani d D 1 2
H H26A 0.863(5) 0.051(5) 0.847(3) 0.035 Uiso d D 1 2
H H26B 0.827(5) -0.012(3) 0.735(4) 0.035 Uiso d D 1 2
O O27W 0.3568(3) 0.1168(3) 0.7134(2) 0.0261(7) Uani d D 1 2
H H27A 0.367(6) 0.113(5) 0.643(2) 0.039 Uiso d D 1 2
H H27B 0.337(6) 0.194(3) 0.739(4) 0.039 Uiso d D 1 2
O O28W 0.6802(3) 0.4221(3) 0.7521(2) 0.0208(6) Uani d D 1 2
H H28A 0.629(4) 0.464(5) 0.794(4) 0.031 Uiso d D 1 2
H H28B 0.669(5) 0.345(3) 0.770(4) 0.031 Uiso d D 1 2
O O29W 0.8747(4) 0.5437(4) 0.9821(3) 0.0390(8) Uani d D 1 2
H H29A 0.810(5) 0.479(5) 0.998(5) 0.059 Uiso d D 1 2
H H29B 0.851(6) 0.611(5) 0.948(5) 0.059 Uiso d D 1 2
O O30W 0.0221(5) 0.3490(4) 0.7849(5) 0.0640(14) Uani d D 1 2
H H30A -0.019(9) 0.333(9) 0.716(4) 0.096 Uiso d D 1 2
H H30B -0.022(8) 0.268(4) 0.786(7) 0.096 Uiso d D 1 2
O O31W 0.3602(3) 0.8223(3) 0.2192(2) 0.0206(6) Uani d D 1 2
H H31A 0.295(4) 0.868(5) 0.226(4) 0.031 Uiso d D 1 2
H H31B 0.432(4) 0.870(4) 0.261(4) 0.031 Uiso d D 1 2
O O32W 0.3044(3) 0.3645(3) 0.7732(2) 0.0245(6) Uani d D 1 2
H H32A 0.219(3) 0.366(5) 0.772(4) 0.037 Uiso d D 1 2
H H32B 0.346(5) 0.392(5) 0.839(3) 0.037 Uiso d D 1 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 '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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1C Cr1 O1C 2_657 . 180.00(13)
O1C Cr1 O2C 2_657 . 96.36(11)
O1C Cr1 O2C . . 83.64(10)
O1C Cr1 O2C 2_657 2_657 83.64(10)
O1C Cr1 O2C . 2_657 96.36(11)
O2C Cr1 O2C . 2_657 180.0000(10)
O1C Cr1 O3C 2_657 2_657 96.40(11)
O1C Cr1 O3C . 2_657 83.60(11)
O2C Cr1 O3C . 2_657 96.11(10)
O2C Cr1 O3C 2_657 2_657 83.89(10)
O1C Cr1 O3C 2_657 . 83.60(11)
O1C Cr1 O3C . . 96.40(11)
O2C Cr1 O3C . . 83.89(10)
O2C Cr1 O3C 2_657 . 96.11(10)
O3C Cr1 O3C 2_657 . 180.0
O13C Cr2 O13C 2_666 . 180.00(11)
O13C Cr2 O15C 2_666 . 83.38(10)
O13C Cr2 O15C . . 96.62(10)
O13C Cr2 O15C 2_666 2_666 96.62(10)
O13C Cr2 O15C . 2_666 83.38(10)
O15C Cr2 O15C . 2_666 180.00(14)
O13C Cr2 O14C 2_666 2_666 83.45(11)
O13C Cr2 O14C . 2_666 96.55(10)
O15C Cr2 O14C . 2_666 96.19(10)
O15C Cr2 O14C 2_666 2_666 83.81(10)
O13C Cr2 O14C 2_666 . 96.55(10)
O13C Cr2 O14C . . 83.45(11)
O15C Cr2 O14C . . 83.81(10)
O15C Cr2 O14C 2_666 . 96.19(10)
O14C Cr2 O14C 2_666 . 180.0000(10)
O8T Mo1 O7T . . 106.84(14)
O8T Mo1 O4B . . 99.43(12)
O7T Mo1 O4B . . 100.45(12)
O8T Mo1 O6B . 2_657 101.16(12)
O7T Mo1 O6B . 2_657 96.54(12)
O4B Mo1 O6B . 2_657 148.14(11)
O8T Mo1 O1C . . 91.58(12)
O7T Mo1 O1C . . 160.03(12)
O4B Mo1 O1C . . 83.63(10)
O6B Mo1 O1C 2_657 . 71.79(10)
O8T Mo1 O2C . . 159.33(12)
O7T Mo1 O2C . . 93.25(12)
O4B Mo1 O2C . . 71.53(10)
O6B Mo1 O2C 2_657 . 80.83(10)
O1C Mo1 O2C . . 69.32(9)
O10T Mo2 O9T . . 105.54(13)
O10T Mo2 O4B . . 98.88(12)
O9T Mo2 O4B . . 104.05(12)
O10T Mo2 O5B . . 98.79(12)
O9T Mo2 O5B . . 95.15(11)
O4B Mo2 O5B . . 149.26(11)
O10T Mo2 O3C . . 93.09(11)
O9T Mo2 O3C . . 157.67(11)
O4B Mo2 O3C . . 84.69(10)
O5B Mo2 O3C . . 69.42(9)
O10T Mo2 O2C . . 161.78(11)
O9T Mo2 O2C . . 92.28(11)
O4B Mo2 O2C . . 72.55(10)
O5B Mo2 O2C . . 83.06(10)
O3C Mo2 O2C . . 70.46(9)
O11T Mo3 O12T . . 106.13(13)
O11T Mo3 O6B . . 100.61(12)
O12T Mo3 O6B . . 102.43(12)
O11T Mo3 O5B . . 100.44(12)
O12T Mo3 O5B . . 92.82(11)
O6B Mo3 O5B . . 149.33(11)
O11T Mo3 O3C . . 92.56(11)
O12T Mo3 O3C . . 156.92(11)
O6B Mo3 O3C . . 86.90(10)
O5B Mo3 O3C . . 70.11(9)
O11T Mo3 O1C . 2_657 161.82(11)
O12T Mo3 O1C . 2_657 91.92(11)
O6B Mo3 O1C . 2_657 72.66(10)
O5B Mo3 O1C . 2_657 80.47(10)
O3C Mo3 O1C . 2_657 70.51(9)
O19T Mo4 O20T . . 106.50(14)
O19T Mo4 O17B . . 104.09(12)
O20T Mo4 O17B . . 98.21(12)
O19T Mo4 O16B . . 94.09(12)
O20T Mo4 O16B . . 99.92(12)
O17B Mo4 O16B . . 149.41(10)
O19T Mo4 O15C . 2_666 156.61(11)
O20T Mo4 O15C . 2_666 93.29(11)
O17B Mo4 O15C . 2_666 84.78(10)
O16B Mo4 O15C . 2_666 69.81(9)
O19T Mo4 O14C . 2_666 91.56(11)
O20T Mo4 O14C . 2_666 161.32(12)
O17B Mo4 O14C . 2_666 72.15(9)
O16B Mo4 O14C . 2_666 83.13(9)
O15C Mo4 O14C 2_666 2_666 70.30(9)
O21T Mo5 O22T . . 106.65(13)
O21T Mo5 O18B . . 99.32(12)
O22T Mo5 O18B . . 102.90(12)
O21T Mo5 O16B . . 100.17(11)
O22T Mo5 O16B . . 93.06(11)
O18B Mo5 O16B . . 150.02(10)
O21T Mo5 O15C . 2_666 93.02(11)
O22T Mo5 O15C . 2_666 156.22(11)
O18B Mo5 O15C . 2_666 86.51(10)
O16B Mo5 O15C . 2_666 69.93(9)
O21T Mo5 O13C . . 161.33(11)
O22T Mo5 O13C . . 91.69(11)
O18B Mo5 O13C . . 72.50(10)
O16B Mo5 O13C . . 81.93(10)
O15C Mo5 O13C 2_666 . 70.11(9)
O23T Mo6 O24T . . 106.46(13)
O23T Mo6 O17B . 2_666 102.39(12)
O24T Mo6 O17B . 2_666 98.17(12)
O23T Mo6 O18B . . 95.85(11)
O24T Mo6 O18B . . 100.31(12)
O17B Mo6 O18B 2_666 . 149.10(10)
O23T Mo6 O14C . . 92.72(11)
O24T Mo6 O14C . . 160.17(11)
O17B Mo6 O14C 2_666 . 72.22(9)
O18B Mo6 O14C . . 82.29(10)
O23T Mo6 O13C . . 158.88(11)
O24T Mo6 O13C . . 92.55(11)
O17B Mo6 O13C 2_666 . 83.47(10)
O18B Mo6 O13C . . 71.21(9)
O14C Mo6 O13C . . 69.50(9)
O25W K1 O25W 2_656 1_455 76.62(9)
O25W K1 O9T 2_656 . 103.15(9)
O25W K1 O9T 1_455 . 139.32(9)
O25W K1 O7T 2_656 . 153.61(9)
O25W K1 O7T 1_455 . 123.85(9)
O9T K1 O7T . . 72.86(8)
O25W K1 O26W 2_656 1_455 140.01(9)
O25W K1 O26W 1_455 1_455 68.70(9)
O9T K1 O26W . 1_455 91.09(9)
O7T K1 O26W . 1_455 66.28(8)
O25W K1 O23T 2_656 . 74.25(8)
O25W K1 O23T 1_455 . 64.14(8)
O9T K1 O23T . . 156.00(8)
O7T K1 O23T . . 98.65(8)
O26W K1 O23T 1_455 . 106.24(9)
O25W K1 O24T 2_656 2_556 91.73(9)
O25W K1 O24T 1_455 2_556 68.54(8)
O9T K1 O24T . 2_556 70.82(8)
O7T K1 O24T . 2_556 110.61(8)
O26W K1 O24T 1_455 2_556 57.72(8)
O23T K1 O24T . 2_556 132.52(8)
O25W K1 O27W 2_656 . 83.91(9)
O25W K1 O27W 1_455 . 134.40(9)
O9T K1 O27W . . 84.97(8)
O7T K1 O27W . . 69.83(8)
O26W K1 O27W 1_455 . 135.05(9)
O23T K1 O27W . . 71.05(8)
O24T K1 O27W 2_556 . 153.77(8)
O29W K2 O17B . . 146.30(10)
O29W K2 O19T . 2_766 137.95(10)
O17B K2 O19T . 2_766 70.05(8)
O29W K2 O8T . 2_667 67.52(10)
O17B K2 O8T . 2_667 102.90(8)
O19T K2 O8T 2_766 2_667 140.83(9)
O29W K2 O28W . . 73.32(10)
O17B K2 O28W . . 74.70(8)
O19T K2 O28W 2_766 . 121.69(9)
O8T K2 O28W 2_667 . 91.06(9)
O29W K2 O10T . 1_665 63.77(10)
O17B K2 O10T . 1_665 147.47(8)
O19T K2 O10T 2_766 1_665 91.15(8)
O8T K2 O10T 2_667 1_665 74.69(8)
O28W K2 O10T . 1_665 137.05(8)
O29W K2 O30W . 1_655 79.00(15)
O17B K2 O30W . 1_655 107.05(14)
O19T K2 O30W 2_766 1_655 66.13(12)
O8T K2 O30W 2_667 1_655 146.33(14)
O28W K2 O30W . 1_655 82.43(11)
O10T K2 O30W 1_665 1_655 87.75(13)
O29W K2 O9T . 1_665 110.89(10)
O17B K2 O9T . 1_665 94.26(7)
O19T K2 O9T 2_766 1_665 72.19(8)
O8T K2 O9T 2_667 1_665 69.98(8)
O28W K2 O9T . 1_665 155.67(8)
O10T K2 O9T 1_665 1_665 53.95(7)
O30W K2 O9T 1_655 1_665 121.81(11)
Cr1 O1C Mo1 . . 103.93(11)
Cr1 O1C Mo3 . 2_657 101.37(11)
Mo1 O1C Mo3 . 2_657 91.53(9)
Cr1 O2C Mo2 . . 102.54(11)
Cr1 O2C Mo1 . . 103.10(10)
Mo2 O2C Mo1 . . 92.00(9)
Cr1 O3C Mo3 . . 104.32(11)
Cr1 O3C Mo2 . . 103.08(11)
Mo3 O3C Mo2 . . 97.93(10)
Mo2 O4B Mo1 . . 119.12(13)
Mo2 O5B Mo3 . . 117.13(12)
Mo2 O5B O16B . 2_656 121.72(12)
Mo3 O5B O16B . 2_656 121.01(12)
Mo3 O6B Mo1 . 2_657 118.98(13)
Cr2 O13C Mo5 . . 102.58(10)
Cr2 O13C Mo6 . . 103.49(11)
Mo5 O13C Mo6 . . 92.48(9)
Cr2 O14C Mo6 . . 103.53(11)
Cr2 O14C Mo4 . 2_666 102.33(10)
Mo6 O14C Mo4 . 2_666 91.61(8)
Cr2 O15C Mo5 . 2_666 103.82(10)
Cr2 O15C Mo4 . 2_666 103.53(10)
Mo5 O15C Mo4 2_666 2_666 97.60(9)
Mo4 O16B Mo5 . . 117.72(11)
Mo4 O17B Mo6 . 2_666 118.91(12)
Mo5 O18B Mo6 . . 119.24(12)
H25A O25W H25B . . 96(5)
H26A O26W H26B . . 107(5)
H27A O27W H27B . . 108(5)
H28A O28W H28B . . 104(5)
H29A O29W H29B . . 121(6)
H30A O30W H30B . . 83(7)
H31A O31W H31B . . 107(5)
H32A O32W H32B . . 112(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cr1 O1C 2_657 1.970(2)
Cr1 O1C . 1.970(3)
Cr1 O2C . 1.971(2)
Cr1 O2C 2_657 1.971(2)
Cr1 O3C 2_657 1.975(2)
Cr1 O3C . 1.975(2)
Cr2 O13C 2_666 1.970(2)
Cr2 O13C . 1.970(2)
Cr2 O15C . 1.972(2)
Cr2 O15C 2_666 1.972(2)
Cr2 O14C 2_666 1.976(2)
Cr2 O14C . 1.976(2)
Mo1 O8T . 1.696(3)
Mo1 O7T . 1.699(3)
Mo1 O4B . 1.939(3)
Mo1 O6B 2_657 1.962(3)
Mo1 O1C . 2.299(3)
Mo1 O2C . 2.321(2)
Mo2 O10T . 1.701(3)
Mo2 O9T . 1.705(3)
Mo2 O4B . 1.913(3)
Mo2 O5B . 1.986(2)
Mo2 O3C . 2.276(2)
Mo2 O2C . 2.296(3)
Mo3 O11T . 1.701(3)
Mo3 O12T . 1.722(3)
Mo3 O6B . 1.879(2)
Mo3 O5B . 2.001(2)
Mo3 O3C . 2.233(2)
Mo3 O1C 2_657 2.321(3)
Mo4 O19T . 1.698(3)
Mo4 O20T . 1.702(3)
Mo4 O17B . 1.916(2)
Mo4 O16B . 1.992(2)
Mo4 O15C 2_666 2.275(2)
Mo4 O14C 2_666 2.306(2)
Mo5 O21T . 1.703(3)
Mo5 O22T . 1.715(3)
Mo5 O18B . 1.894(2)
Mo5 O16B . 1.998(2)
Mo5 O15C 2_666 2.264(2)
Mo5 O13C . 2.301(2)
Mo6 O23T . 1.700(3)
Mo6 O24T . 1.703(3)
Mo6 O17B 2_666 1.919(2)
Mo6 O18B . 1.964(2)
Mo6 O14C . 2.301(2)
Mo6 O13C . 2.307(3)
K1 O25W 2_656 2.722(3)
K1 O25W 1_455 2.778(3)
K1 O9T . 2.809(3)
K1 O7T . 2.825(3)
K1 O26W 1_455 2.844(3)
K1 O23T . 2.862(3)
K1 O24T 2_556 2.950(3)
K1 O27W . 2.997(3)
K2 O29W . 2.767(4)
K2 O17B . 2.769(3)
K2 O19T 2_766 2.799(3)
K2 O8T 2_667 2.855(3)
K2 O28W . 2.858(3)
K2 O10T 1_665 2.891(3)
K2 O30W 1_655 2.897(4)
K2 O9T 1_665 3.074(3)
O1C H1 . 0.70(6)
O2C H2 . 0.76(6)
O3C H3 . 0.82(6)
O5B O16B 2_656 2.461(3)
O5B H5 . 1.232(7)
O13C H13 . 0.70(5)
O14C H14 . 0.81(5)
O15C H15 . 0.76(6)
O25W H25A . 0.92(3)
O25W H25B . 0.93(3)
O26W H26A . 0.91(3)
O26W H26B . 0.91(3)
O27W H27A . 0.90(3)
O27W H27B . 0.91(3)
O28W H28A . 0.91(3)
O28W H28B . 0.90(3)
O29W H29A . 0.95(3)
O29W H29B . 0.96(3)
O30W H30A . 0.92(3)
O30W H30B . 0.93(3)
O31W H31A . 0.90(3)
O31W H31B . 0.92(3)
O32W H32A . 0.89(3)
O32W H32B . 0.89(3)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1C H1 O22T 1_556 0.70(6) 2.11(6) 2.789(4) 164(6)
O2C H2 O27W . 0.76(6) 2.01(6) 2.753(4) 166(6)
O3C H3 O31W 1_546 0.82(6) 1.79(6) 2.604(4) 176(6)
O5B H5 O16B 2_656 1.232(7) 1.232(7) 2.461(3) 175(5)
O13C H13 O12T 2_656 0.70(5) 2.05(5) 2.734(4) 167(5)
O14C H14 O32W . 0.81(5) 2.01(5) 2.776(4) 158(5)
O15C H15 O28W 2_666 0.76(6) 1.87(6) 2.619(4) 170(6)
O25W H25A O21T . 0.92(3) 1.96(3) 2.838(4) 157(5)
O25W H25B O20T . 0.93(3) 1.92(3) 2.819(4) 162(5)
O26W H26A O4B 2_657 0.91(3) 1.89(3) 2.748(4) 158(5)
O26W H26B O24T 2_656 0.91(3) 1.91(3) 2.798(4) 164(5)
O27W H27A O18B . 0.90(3) 1.95(4) 2.775(4) 151(5)
O27W H27B O32W . 0.91(3) 1.92(3) 2.825(5) 171(5)
O28W H28A O12T 1_565 0.91(3) 2.00(4) 2.785(4) 144(5)
O28W H28B O31W 2_666 0.90(3) 1.82(3) 2.706(4) 170(5)
O29W H29A O11T 2_657 0.95(3) 2.11(4) 2.949(5) 146(6)
O29W H29B O8T 2_667 0.96(3) 2.18(3) 3.126(5) 169(6)
O31W H31A O26W 2_666 0.90(3) 1.77(3) 2.665(4) 170(5)
O31W H31B O27W 2_666 0.92(3) 2.18(4) 2.952(4) 141(4)
O32W H32A O30W . 0.89(3) 2.06(3) 2.947(6) 171(5)
O32W H32B O6B 2_657 0.89(3) 2.39(5) 3.000(4) 126(5)
