#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/14/2011470.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_2011470
loop_
_publ_author_name
'Lee, Uk'
'Joo, Hea Chung'
_publ_section_title
;
 Tripotassium hexahydrogenhexamolybdocobaltate(III) potassium nitrate
 tetrahydrate, K₃[H₆CoMo₆O₂₄]·KNO₃·4H₂O
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e423
_journal_page_last               e424
_journal_paper_doi               10.1107/S0108270100012154
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          'K3 [H6 Co Mo6 O24], K N O3, 4H2 O'
_chemical_formula_sum            'Co H14 K4 Mo6 N O31'
_chemical_formula_weight         1315.09
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.644(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.191(3)
_cell_length_b                   10.9675(16)
_cell_length_c                   11.6115(15)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      10.5
_cell_measurement_theta_min      9.6
_cell_volume                     2951.6(7)
_computing_cell_refinement       STADI4
_computing_data_collection       'STADI4 (Stoe & Cie, 1996)'
_computing_data_reduction        'X-RED (Stoe & Cie, 1996)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full .443
_diffrn_measured_fraction_theta_max .443
_diffrn_measurement_device_type  'Stoe Stadi-4'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .0000
_diffrn_reflns_av_sigmaI/netI    .0249
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3148
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         1.76
_diffrn_standards_decay_%        2.8
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.692
_exptl_absorpt_correction_T_max  .650
_exptl_absorpt_correction_T_min  .463
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(Stoe & Cie, 1996)'
_exptl_crystal_colour            'pale blue'
_exptl_crystal_density_diffrn    2.959
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       monoclinic
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .07
_refine_diff_density_max         1.877
_refine_diff_density_min         -1.599
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     206
_refine_ls_number_reflns         3148
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          .057
_refine_ls_R_factor_gt           .042
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0530P)²+53.7384P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .119
_reflns_number_gt                2574
_reflns_number_total             3148
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            qd0030.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0530P)^2^+53.7384P] where P = (Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(Fo^2^)+(0.0530P)^2^+53.7384P] where P = (Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2011470
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Co .2500 .2500 .5000 .0119(2) Uani d S 1 . . Co
Mo1 .32555(2) .01247(5) .63528(5) .01787(15) Uani d . 1 . . Mo
Mo2 .18205(2) .00614(5) .55866(5) .01793(15) Uani d . 1 . . Mo
Mo3 .39278(2) .25481(6) .57370(5) .01880(15) Uani d . 1 . . Mo
K1 .40533(10) -.2782(2) .75229(17) .0452(5) Uani d . 1 . . K
K2 .44023(9) .1058(3) .93029(17) .0581(7) Uani d . 1 . . K
OC1 .30999(18) .1476(4) .4786(4) .0151(9) Uani d . 1 . . O
OC2 .25304(18) .1449(4) .6339(4) .0160(9) Uani d . 1 . . O
OC3 .18868(18) .1454(4) .4153(4) .0161(9) Uani d . 1 . . O
OB4 .37415(19) .1513(5) .6916(4) .0201(10) Uani d . 1 . . O
OB5 .2534(2) -.0570(4) .5358(4) .0203(9) Uani d . 1 . . O
OB6 .36687(19) .3603(5) .4337(4) .0201(10) Uani d . 1 . . O
OT7 .3702(2) -.0784(5) .5813(5) .0278(11) Uani d . 1 . . O
OT8 .3266(2) -.0486(5) .7725(4) .0296(12) Uani d . 1 . . O
OT9 .1861(3) -.0576(6) .6960(5) .0347(13) Uani d . 1 . . O
OT10 .1362(2) -.0844(5) .4535(5) .0338(13) Uani d . 1 . . O
OT11 .4396(2) .3517(6) .6691(5) .0335(13) Uani d . 1 . . O
OT12 .4333(2) .1584(6) .5137(5) .0317(12) Uani d . 1 . . O
OW13 .2329(3) .2088(5) .8370(5) .0430(16) Uani d . 1 . . O
OW14 .4997(7) -.4083(14) .833(2) .093(7) Uani d P .50 . . O
OW15 .4542(7) .3450(16) .9294(14) .061(4) Uani d P .50 . . O
ON16 .5130(3) .0945(8) 1.1686(6) .063(2) Uani d . 1 . . O
ON17 .5000 -.0728(10) 1.2500 .048(2) Uani d S 1 . . O
N .5000 .0402(11) 1.2500 .036(2) Uani d S 1 . . N
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co Co .3494 .9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 .6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K .2009 .2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
OC1 Co OC1 . 7_556 180.0 ?
OC1 Co OC3 . . 94.97(19) ?
OC1 Co OC3 7_556 . 85.03(19) ?
OC1 Co OC3 . 7_556 85.03(19) ?
OC1 Co OC3 7_556 7_556 94.97(19) ?
OC3 Co OC3 . 7_556 180.0 ?
OC1 Co OC2 . . 84.14(18) ?
OC1 Co OC2 7_556 . 95.86(18) ?
OC3 Co OC2 . . 84.28(18) ?
OC3 Co OC2 7_556 . 95.72(18) ?
OC1 Co OC2 . 7_556 95.86(18) ?
OC1 Co OC2 7_556 7_556 84.14(18) ?
OC3 Co OC2 . 7_556 95.72(18) ?
OC3 Co OC2 7_556 7_556 84.28(18) ?
OC2 Co OC2 . 7_556 180.0 ?
OC1 Co Mo1 . . 42.33(12) ?
OC1 Co Mo1 7_556 . 137.67(12) ?
OC3 Co Mo1 . . 90.76(13) ?
OC3 Co Mo1 7_556 . 89.24(13) ?
OC2 Co Mo1 . . 41.84(13) ?
OC2 Co Mo1 7_556 . 138.16(13) ?
OC1 Co Mo2 . . 89.56(13) ?
OC1 Co Mo2 7_556 . 90.44(13) ?
OC3 Co Mo2 . . 42.48(13) ?
OC3 Co Mo2 7_556 . 137.52(13) ?
OC2 Co Mo2 . . 41.80(13) ?
OC2 Co Mo2 7_556 . 138.20(13) ?
Mo1 Co Mo2 . . 60.368(16) yes
OC1 Co Mo3 . . 42.85(13) ?
OC1 Co Mo3 7_556 . 137.15(13) ?
OC3 Co Mo3 . . 137.82(13) ?
OC3 Co Mo3 7_556 . 42.18(13) ?
OC2 Co Mo3 . . 90.29(13) ?
OC2 Co Mo3 7_556 . 89.71(13) ?
Mo1 Co Mo3 . . 59.775(15) yes
Mo2 Co Mo3 . . 120.140(15) yes
OT7 Mo1 OT8 . . 105.5(3) ?
OT7 Mo1 OB4 . . 101.3(2) ?
OT8 Mo1 OB4 . . 98.5(2) ?
OT7 Mo1 OB5 . . 96.2(2) ?
OT8 Mo1 OB5 . . 99.8(2) ?
OB4 Mo1 OB5 . . 150.2(2) ?
OT7 Mo1 OC2 . . 159.1(2) ?
OT8 Mo1 OC2 . . 93.6(2) ?
OB4 Mo1 OC2 . . 83.77(18) ?
OB5 Mo1 OC2 . . 71.81(18) ?
OT7 Mo1 OC1 . . 93.6(2) ?
OT8 Mo1 OC1 . . 160.3(2) ?
OB4 Mo1 OC1 . . 72.74(17) ?
OB5 Mo1 OC1 . . 82.35(18) ?
OC2 Mo1 OC1 . . 68.30(15) ?
OT7 Mo1 Mo3 . . 89.27(18) ?
OT8 Mo1 Mo3 . . 129.5(2) ?
OB4 Mo1 Mo3 . . 31.08(13) ?
OB5 Mo1 Mo3 . . 126.81(14) ?
OC2 Mo1 Mo3 . . 84.88(11) ?
OC1 Mo1 Mo3 . . 44.47(11) ?
OT7 Mo1 Co . . 127.15(17) ?
OT8 Mo1 Co . . 127.28(19) ?
OB4 Mo1 Co . . 74.84(14) ?
OB5 Mo1 Co . . 75.38(14) ?
OC2 Mo1 Co . . 34.27(11) ?
OC1 Mo1 Co . . 34.06(10) ?
Mo3 Mo1 Co . . 60.161(16) ?
OT7 Mo1 Mo2 . . 127.47(18) ?
OT8 Mo1 Mo2 . . 88.71(18) ?
OB4 Mo1 Mo2 . . 126.69(14) ?
OB5 Mo1 Mo2 . . 31.34(14) ?
OC2 Mo1 Mo2 . . 42.96(11) ?
OC1 Mo1 Mo2 . . 83.09(11) ?
Mo3 Mo1 Mo2 . . 120.00(2) yes
Co Mo1 Mo2 . . 59.839(15) yes
OT7 Mo1 K1 . . 47.93(17) ?
OT8 Mo1 K1 . . 57.8(2) ?
OB4 Mo1 K1 . . 110.31(14) ?
OB5 Mo1 K1 . . 99.32(15) ?
OC2 Mo1 K1 . . 148.93(11) ?
OC1 Mo1 K1 . . 141.52(11) ?
Mo3 Mo1 K1 . . 121.71(4) ?
Co Mo1 K1 . . 172.88(3) ?
Mo2 Mo1 K1 . . 117.74(4) ?
OT7 Mo1 K2 . . 96.32(18) ?
OT8 Mo1 K2 . . 57.85(19) ?
OB4 Mo1 K2 . . 43.64(14) ?
OB5 Mo1 K2 . . 156.71(14) ?
OC2 Mo1 K2 . . 101.12(11) ?
OC1 Mo1 K2 . . 116.34(12) ?
Mo3 Mo1 K2 . . 72.93(5) ?
Co Mo1 K2 . . 111.69(5) ?
Mo2 Mo1 K2 . . 132.00(4) ?
K1 Mo1 K2 . . 75.06(6) ?
OT10 Mo2 OT9 . . 106.2(3) ?
OT10 Mo2 OB6 . 7_556 101.3(2) ?
OT9 Mo2 OB6 . 7_556 98.1(2) ?
OT10 Mo2 OB5 . . 96.6(2) ?
OT9 Mo2 OB5 . . 99.5(2) ?
OB6 Mo2 OB5 7_556 . 150.3(2) ?
OT10 Mo2 OC2 . . 157.8(2) ?
OT9 Mo2 OC2 . . 94.6(2) ?
OB6 Mo2 OC2 7_556 . 82.98(18) ?
OB5 Mo2 OC2 . . 71.89(18) ?
OT10 Mo2 OC3 . . 92.0(2) ?
OT9 Mo2 OC3 . . 161.0(2) ?
OB6 Mo2 OC3 7_556 . 72.26(17) ?
OB5 Mo2 OC3 . . 83.63(17) ?
OC2 Mo2 OC3 . . 68.38(15) ?
OT10 Mo2 Mo3 . 7_556 88.4(2) ?
OT9 Mo2 Mo3 . 7_556 129.2(2) ?
OB6 Mo2 Mo3 7_556 7_556 31.23(13) ?
OB5 Mo2 Mo3 . 7_556 127.42(14) ?
OC2 Mo2 Mo3 . 7_556 84.28(11) ?
OC3 Mo2 Mo3 . 7_556 43.82(11) ?
OT10 Mo2 Co . . 125.5(2) ?
OT9 Mo2 Co . . 128.3(2) ?
OB6 Mo2 Co 7_556 . 74.89(14) ?
OB5 Mo2 Co . . 75.38(14) ?
OC2 Mo2 Co . . 34.23(10) ?
OC3 Mo2 Co . . 34.15(10) ?
Mo3 Mo2 Co 7_556 . 60.095(16) ?
OT10 Mo2 Mo1 . . 127.98(19) ?
OT9 Mo2 Mo1 . . 89.0(2) ?
OB6 Mo2 Mo1 7_556 . 125.93(15) ?
OB5 Mo2 Mo1 . . 31.41(13) ?
OC2 Mo2 Mo1 . . 42.96(11) ?
OC3 Mo2 Mo1 . . 84.03(11) ?
Mo3 Mo2 Mo1 7_556 . 119.88(2) ?
Co Mo2 Mo1 . . 59.793(14) ?
OT10 Mo2 Mo3 . . 133.27(19) ?
OT9 Mo2 Mo3 . . 110.5(2) ?
OB6 Mo2 Mo3 7_556 . 101.04(14) ?
OB5 Mo2 Mo3 . . 50.14(14) ?
OC2 Mo2 Mo3 . . 26.32(11) ?
OC3 Mo2 Mo3 . . 57.37(10) ?
Mo3 Mo2 Mo3 7_556 . 90.033(18) ?
Co Mo2 Mo3 . . 29.938(8) ?
Mo1 Mo2 Mo3 . . 29.858(13) ?
OT11 Mo3 OT12 . . 107.3(3) ?
OT11 Mo3 OB4 . . 98.7(2) ?
OT12 Mo3 OB4 . . 101.6(2) ?
OT11 Mo3 OB6 . . 99.6(2) ?
OT12 Mo3 OB6 . . 96.4(2) ?
OB4 Mo3 OB6 . . 149.06(19) ?
OT11 Mo3 OC3 . 7_556 95.0(2) ?
OT12 Mo3 OC3 . 7_556 156.4(2) ?
OB4 Mo3 OC3 . 7_556 82.07(18) ?
OB6 Mo3 OC3 . 7_556 71.71(17) ?
OT11 Mo3 OC1 . . 161.5(2) ?
OT12 Mo3 OC1 . . 90.6(2) ?
OB4 Mo3 OC1 . . 72.15(17) ?
OB6 Mo3 OC1 . . 82.85(18) ?
OC3 Mo3 OC1 7_556 . 68.18(15) ?
OT11 Mo3 Mo1 . . 129.53(19) ?
OT12 Mo3 Mo1 . . 88.0(2) ?
OB4 Mo3 Mo1 . . 30.93(13) ?
OB6 Mo3 Mo1 . . 126.78(14) ?
OC3 Mo3 Mo1 7_556 . 83.55(11) ?
OC1 Mo3 Mo1 . . 44.00(10) ?
OT11 Mo3 Co . . 128.7(2) ?
OT12 Mo3 Co . . 123.97(19) ?
OB4 Mo3 Co . . 74.68(13) ?
OB6 Mo3 Co . . 74.41(13) ?
OC3 Mo3 Co 7_556 . 34.07(11) ?
OC1 Mo3 Co . . 34.11(10) ?
Mo1 Mo3 Co . . 60.064(14) ?
OT11 Mo3 K1 . 6 111.53(19) ?
OT12 Mo3 K1 . 6 55.54(18) ?
OB4 Mo3 K1 . 6 146.01(15) ?
OB6 Mo3 K1 . 6 40.95(14) ?
OC3 Mo3 K1 7_556 6 109.35(11) ?
OC1 Mo3 K1 . 6 82.43(11) ?
Mo1 Mo3 K1 . 6 116.46(4) ?
Co Mo3 K1 . 6 96.71(4) ?
OT11 Mo3 Mo2 . . 137.11(19) ?
OT12 Mo3 Mo2 . . 107.4(2) ?
OB4 Mo3 Mo2 . . 49.91(13) ?
OB6 Mo3 Mo2 . . 100.73(14) ?
OC3 Mo3 Mo2 7_556 . 57.17(11) ?
OC1 Mo3 Mo2 . . 26.32(10) ?
Mo1 Mo3 Mo2 . . 30.146(12) ?
Co Mo3 Mo2 . . 29.922(9) ?
K1 Mo3 Mo2 6 . 108.60(4) ?
OW14 K1 OB6 . 6_556 89.9(5) ?
OW14 K1 OT10 . 7_546 94.4(5) ?
OB6 K1 OT10 6_556 7_546 111.92(17) ?
OW14 K1 ON16 . 5_657 79.3(4) ?
OB6 K1 ON16 6_556 5_657 110.83(18) ?
OT10 K1 ON16 7_546 5_657 136.7(2) ?
OW14 K1 OT7 . . 134.9(5) ?
OB6 K1 OT7 6_556 . 133.34(17) ?
OT10 K1 OT7 7_546 . 81.83(17) ?
ON16 K1 OT7 5_657 . 73.8(2) ?
OW14 K1 OW14 . 2_656 38.4(9) ?
OB6 K1 OW14 6_556 2_656 123.4(4) ?
OT10 K1 OW14 7_546 2_656 65.9(4) ?
ON16 K1 OW14 5_657 2_656 85.3(3) ?
OT7 K1 OW14 . 2_656 103.1(4) ?
OW14 K1 OT12 . 6_556 87.6(5) ?
OB6 K1 OT12 6_556 6_556 54.60(14) ?
OT10 K1 OT12 7_546 6_556 166.43(17) ?
ON16 K1 OT12 5_657 6_556 56.83(18) ?
OT7 K1 OT12 . 6_556 106.19(17) ?
OW14 K1 OT12 2_656 6_556 121.2(4) ?
OW14 K1 OT8 . . 150.9(5) ?
OB6 K1 OT8 6_556 . 81.94(15) ?
OT10 K1 OT8 7_546 . 114.55(17) ?
ON16 K1 OT8 5_657 . 77.8(2) ?
OT7 K1 OT8 . . 52.86(14) ?
OW14 K1 OT8 2_656 . 153.6(3) ?
OT12 K1 OT8 6_556 . 64.94(15) ?
OW14 K1 OW13 . 4_546 144.1(4) ?
OB6 K1 OW13 6_556 4_546 71.10(14) ?
OT10 K1 OW13 7_546 4_546 66.92(16) ?
ON16 K1 OW13 5_657 4_546 135.6(2) ?
OT7 K1 OW13 . 4_546 74.93(15) ?
OW14 K1 OW13 2_656 4_546 132.5(4) ?
OT12 K1 OW13 6_556 4_546 104.06(15) ?
OT8 K1 OW13 . 4_546 58.18(15) ?
OW14 K1 Mo1 . . 152.9(4) ?
OB6 K1 Mo1 6_556 . 107.99(12) ?
OT10 K1 Mo1 7_546 . 97.33(14) ?
ON16 K1 Mo1 5_657 . 75.47(19) ?
OT7 K1 Mo1 . . 25.89(10) ?
OW14 K1 Mo1 2_656 . 128.6(4) ?
OT12 K1 Mo1 6_556 . 86.68(12) ?
OT8 K1 Mo1 . . 27.03(9) ?
OW13 K1 Mo1 4_546 . 62.80(11) ?
OW14 K1 Mo3 . 6_556 89.5(5) ?
OB6 K1 Mo3 6_556 6_556 28.31(10) ?
OT10 K1 Mo3 7_546 6_556 140.14(14) ?
ON16 K1 Mo3 5_657 6_556 82.96(14) ?
OT7 K1 Mo3 . 6_556 121.56(12) ?
OW14 K1 Mo3 2_656 6_556 127.9(4) ?
OT12 K1 Mo3 6_556 6_556 26.32(10) ?
OT8 K1 Mo3 . 6_556 70.28(9) ?
OW13 K1 Mo3 4_546 6_556 87.25(11) ?
Mo1 K1 Mo3 . 6_556 96.84(5) ?
OW14 K1 K2 . 6 100.1(5) ?
OB6 K1 K2 6_556 6 170.00(13) ?
OT10 K1 K2 7_546 6 67.46(13) ?
ON16 K1 K2 5_657 6 71.62(14) ?
OT7 K1 K2 . 6 37.09(11) ?
OW14 K1 K2 2_656 6 66.0(4) ?
OT12 K1 K2 6_556 6 125.43(12) ?
OT8 K1 K2 . 6 89.28(11) ?
OW13 K1 K2 4_546 6 100.20(11) ?
Mo1 K1 K2 . 6 62.75(5) ?
Mo3 K1 K2 6_556 6 150.40(7) ?
OW15 K2 OT7 . 6_556 102.2(3) ?
OW15 K2 OB4 . . 81.8(4) ?
OT7 K2 OB4 6_556 . 111.27(16) ?
OW15 K2 ON16 . . 90.2(4) ?
OT7 K2 ON16 6_556 . 72.47(19) ?
OB4 K2 ON16 . . 171.7(2) ?
OW15 K2 ON16 . 5_657 134.0(3) ?
OT7 K2 ON16 6_556 5_657 123.5(2) ?
OB4 K2 ON16 . 5_657 85.37(18) ?
ON16 K2 ON16 . 5_657 98.8(2) ?
OW15 K2 ON17 . 5_657 91.8(4) ?
OT7 K2 ON17 6_556 5_657 164.9(3) ?
OB4 K2 ON17 . 5_657 64.54(12) ?
ON16 K2 ON17 . 5_657 113.81(18) ?
ON16 K2 ON17 5_657 5_657 43.5(3) ?
OW15 K2 OT12 . 2_656 71.7(3) ?
OT7 K2 OT12 6_556 2_656 130.72(16) ?
OB4 K2 OT12 . 2_656 115.82(16) ?
ON16 K2 OT12 . 2_656 58.99(18) ?
ON16 K2 OT12 5_657 2_656 74.81(19) ?
ON17 K2 OT12 5_657 2_656 59.28(13) ?
OW15 K2 OT12 . 6_556 162.6(4) ?
OT7 K2 OT12 6_556 6_556 66.50(16) ?
OB4 K2 OT12 . 6_556 114.19(17) ?
ON16 K2 OT12 . 6_556 74.0(2) ?
ON16 K2 OT12 5_657 6_556 57.71(18) ?
ON17 K2 OT12 5_657 6_556 101.2(3) ?
OT12 K2 OT12 2_656 6_556 104.90(15) ?
OW15 K2 N . 5_657 113.7(3) ?
OT7 K2 N 6_556 5_657 143.9(2) ?
OB4 K2 N . 5_657 71.86(13) ?
ON16 K2 N . 5_657 109.8(2) ?
ON16 K2 N 5_657 5_657 21.8(2) ?
ON17 K2 N 5_657 5_657 22.0(3) ?
OT12 K2 N 2_656 5_657 67.86(14) ?
OT12 K2 N 6_556 5_657 79.3(2) ?
OW15 K2 OT8 . . 126.4(4) ?
OT7 K2 OT8 6_556 . 74.58(15) ?
OB4 K2 OT8 . . 52.95(14) ?
ON16 K2 OT8 . . 135.0(2) ?
ON16 K2 OT8 5_657 . 75.21(19) ?
ON17 K2 OT8 5_657 . 92.47(16) ?
OT12 K2 OT8 2_656 . 148.78(17) ?
OT12 K2 OT8 6_556 . 65.13(15) ?
N K2 OT8 5_657 . 81.04(15) ?
OW15 K2 K2 . 5_657 122.6(4) ?
OT7 K2 K2 6_556 5_657 101.35(15) ?
OB4 K2 K2 . 5_657 133.88(15) ?
ON16 K2 K2 . 5_657 49.8(2) ?
ON16 K2 K2 5_657 5_657 49.00(15) ?
ON17 K2 K2 5_657 5_657 75.38(15) ?
OT12 K2 K2 2_656 5_657 53.42(13) ?
OT12 K2 K2 6_556 5_657 51.48(12) ?
N K2 K2 5_657 5_657 62.68(12) ?
OT8 K2 K2 . 5_657 110.05(16) ?
OW15 K2 Mo1 . . 108.6(4) ?
OT7 K2 Mo1 6_556 . 96.76(12) ?
OB4 K2 Mo1 . . 28.05(10) ?
ON16 K2 Mo1 . . 160.2(2) ?
ON16 K2 Mo1 5_657 . 72.98(15) ?
ON17 K2 Mo1 5_657 . 72.93(7) ?
OT12 K2 Mo1 2_656 . 132.09(11) ?
OT12 K2 Mo1 6_556 . 86.54(12) ?
N K2 Mo1 5_657 . 69.03(5) ?
OT8 K2 Mo1 . . 26.20(9) ?
K2 K2 Mo1 5_657 . 119.51(12) ?
Co OC1 Mo1 . . 103.61(17) ?
Co OC1 Mo3 . . 103.03(19) ?
Mo1 OC1 Mo3 . . 91.53(15) ?
Co OC2 Mo2 . . 103.97(18) ?
Co OC2 Mo1 . . 103.89(18) ?
Mo2 OC2 Mo1 . . 94.08(17) ?
Co OC3 Mo3 . 7_556 103.76(19) ?
Co OC3 Mo2 . . 103.37(17) ?
Mo3 OC3 Mo2 7_556 . 92.15(15) ?
Mo1 OB4 Mo3 . . 118.0(2) ?
Mo1 OB4 K2 . . 108.3(2) ?
Mo3 OB4 K2 . . 128.3(2) ?
Mo2 OB5 Mo1 . . 117.3(2) ?
Mo2 OB6 Mo3 7_556 . 118.3(2) ?
Mo2 OB6 K1 7_556 6 130.8(2) ?
Mo3 OB6 K1 . 6 110.7(2) ?
Mo1 OT7 K2 . 6 148.7(3) ?
Mo1 OT7 K1 . . 106.2(2) ?
K2 OT7 K1 6 . 103.70(18) ?
Mo1 OT8 K1 . . 95.2(2) ?
Mo1 OT8 K2 . . 95.9(2) ?
K1 OT8 K2 . . 91.50(15) ?
Mo2 OT10 K1 . 7_546 159.3(3) ?
Mo3 OT12 K2 . 2_656 134.1(3) ?
Mo3 OT12 K2 . 6 142.8(3) ?
K2 OT12 K2 2_656 6 75.10(15) ?
Mo3 OT12 K1 . 6 98.1(2) ?
K2 OT12 K1 2_656 6 102.14(16) ?
K2 OT12 K1 6 6 95.97(16) ?
K1 OW14 K1 . 2_656 106.4(6) ?
N ON16 K1 . 5_657 114.2(5) ?
N ON16 K2 . . 123.2(5) ?
K1 ON16 K2 5_657 . 118.4(3) ?
N ON16 K2 . 5_657 98.8(7) ?
K1 ON16 K2 5_657 5_657 111.3(3) ?
K2 ON16 K2 . 5_657 81.2(2) ?
N ON17 K2 . 6_556 97.2(2) ?
N ON17 K2 . 5_657 97.2(2) ?
K2 ON17 K2 6_556 5_657 165.6(5) ?
ON16 N ON16 2_657 . 122.1(13) yes
ON16 N ON17 2_657 . 119.0(7) yes
ON16 N ON17 . . 119.0(7) yes
ON16 N K2 2_657 6_556 59.4(5) ?
ON16 N K2 . 6_556 168.9(3) ?
ON17 N K2 . 6_556 60.80(19) ?
ON16 N K2 2_657 5_657 168.9(3) ?
ON16 N K2 . 5_657 59.4(5) ?
ON17 N K2 . 5_657 60.80(19) ?
K2 N K2 6_556 5_657 121.6(4) ?
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
Co OC1 . 1.907(4) yes
Co OC1 7_556 1.907(4) ?
Co OC3 . 1.910(4) yes
Co OC3 7_556 1.910(4) ?
Co OC2 . 1.919(4) yes
Co OC2 7_556 1.919(4) ?
Co Mo1 . 3.3091(7) yes
Co Mo2 . 3.3106(7) yes
Co Mo3 . 3.3123(7) yes
Mo1 OT7 . 1.715(5) yes
Mo1 OT8 . 1.721(5) yes
Mo1 OB4 . 1.921(5) yes
Mo1 OB5 . 1.951(5) yes
Mo1 OC2 . 2.274(4) yes
Mo1 OC1 . 2.293(4) yes
Mo1 Mo3 . 3.2994(9) yes
Mo1 Mo2 . 3.3282(9) yes
Mo1 K1 . 3.772(2) ?
Mo1 K2 . 3.877(2) ?
Mo2 OT10 . 1.712(5) yes
Mo2 OT9 . 1.718(5) yes
Mo2 OB6 7_556 1.902(5) yes
Mo2 OB5 . 1.947(5) yes
Mo2 OC2 . 2.274(4) yes
Mo2 OC3 . 2.298(4) yes
Mo2 Mo3 7_556 3.3045(9) yes
Mo2 Mo3 . 5.7396(10) ?
Mo3 OT11 . 1.709(5) yes
Mo3 OT12 . 1.719(5) yes
Mo3 OB4 . 1.929(5) yes
Mo3 OB6 . 1.947(4) yes
Mo3 OC3 7_556 2.290(4) yes
Mo3 OC1 . 2.312(4) yes
Mo3 K1 6 3.8387(19) ?
K1 OW14 . 2.627(16) yes
K1 OB6 6_556 2.690(5) yes
K1 OT10 7_546 2.760(6) yes
K1 ON16 5_657 2.786(8) yes
K1 OT7 . 2.915(6) yes
K1 OW14 2_656 3.100(19) yes
K1 OT12 6_556 3.197(6) yes
K1 OT8 . 3.205(6) yes
K1 OW13 4_546 3.207(8) yes
K1 Mo3 6_556 3.8387(19) ?
K1 K2 6 4.480(3) ?
K2 OW15 . 2.645(18) yes
K2 OT7 6_556 2.781(6) yes
K2 OB4 . 2.819(5) yes
K2 ON16 . 2.826(7) yes
K2 ON16 5_657 2.859(10) yes
K2 ON17 5_657 2.888(2) yes
K2 OT12 2_656 2.996(6) yes
K2 OT12 6_556 3.075(7) yes
K2 N 5_657 3.282(6) ?
K2 OT8 . 3.301(6) ?
K2 K2 5_657 3.700(5) ?
OC3 Mo3 7_556 2.290(4) ?
OB6 Mo2 7_556 1.902(5) ?
OB6 K1 6 2.690(5) ?
OT7 K2 6 2.781(6) ?
OT10 K1 7_546 2.760(6) ?
OT12 K2 2_656 2.996(6) ?
OT12 K2 6 3.075(7) ?
OT12 K1 6 3.197(6) ?
OW13 K1 4_556 3.207(8) ?
OW14 K1 2_656 3.100(19) ?
ON16 N . 1.232(9) ?
ON16 K1 5_657 2.786(8) ?
ON16 K2 5_657 2.859(10) ?
N ON17 . 1.239(15) yes
ON17 K2 6_556 2.888(2) ?
ON17 K2 5_657 2.888(2) ?
N ON16 2_657 1.232(9) yes
N K2 6_556 3.282(6) ?
N K2 5_657 3.282(6) ?
