Tripotassium hexa­hydrogen hexamolybdocobaltate(III) heptahydrate, K3[H6CoMo6O24]·7H2O

Lee, U.; Joo, H.-C.; Kwon, J.-S.; Cho, M.-A.

doi:10.1107/S1600536801019365

Tripotassium hexahydrogen hexamolybdocobaltate(III) heptahydrate, K₃[H₆CoMo₆O₂₄]·7H₂O

U. Lee, H.-C. Joo, J.-S. Kwon and M.-A. Cho

The very stable title crystals, K₃[H₆CoMo₆O₂₄]·7H₂O, that include the well known B-type Anderson-Evans heteropolyoxometalate, were obtained by recrystallization of powder K₃[H₆CoMo₆O₂₄]·nH₂O at pH 3.5. The unit cell consists of two different crystallographically discrete [H₆CoMo₆O₂₄]^3- polyanions. The two anions have the Co atoms at inversion centers and have close to $\overline 3$ m symmetry, with Co-O bond lengths in the range 1.898 (3)-1.912 (3) Å, Mo-O bond lengths in the ranges 1.700 (4)-1.726 (4), 1.895 (3)-1.960 (3) and 2.259 (3)-2.313 (3) Å.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801019365/br6031sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536801019365/br6031Isup2.hkl Contains datablock I

checkCIF report

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (Co-O) = 0.003 Å
H-atom completeness 1%
R factor = 0.031
wR factor = 0.082
Data-to-parameter ratio = 17.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



DIFF_012  Alert A _diffrn_reflns_av_R_equivalents is missing
          R factor for symmetry-equivalent intensities.
          The following tests will not be performed
          RINTA


 Alert Level B:



CHEMS_01  Alert B The sum formula contains elements in the wrong order.
          H  precedes Co
          Sequence must be C, H, then alphabetical.

General Notes



FORMU_01  There is a discrepancy between the atom counts in the
          _chemical_formula_sum and _chemical_formula_moiety. This is
          usually due to the moiety formula being in the wrong format.
          Atom count from _chemical_formula_sum:   H20 Co1 K3 Mo6 O31
          Atom count from _chemical_formula_moiety:

FORMU_01  There is a discrepancy between the atom counts in the
          _chemical_formula_sum and the formula from the _atom_site* data.
          Atom count from _chemical_formula_sum:H20 Co1 K3 Mo6 O31
          Atom count from the _atom_site data:  Co1 K3 Mo6 O31

CELLZ_01
         From the CIF: _cell_formula_units_Z    4
         From the CIF: _chemical_formula_sum  H20 Co K3 Mo6 O31
         TEST: Compare cell contents of formula and atom_site data

         atom    Z*formula  cif sites diff
         H         80.00      0.00   80.00
         Co         4.00      4.00    0.00
         K         12.00     12.00    0.00
         Mo        24.00     24.00    0.00
         O        124.00    124.00    0.00
          Difference between formula and atom_site contents detected.
          WARNING: H atoms missing from atom site list. Is this intentional?

CHEMW_03
         From the CIF: _cell_formula_units_Z                    4
         From the CIF: _chemical_formula_weight          1268.03
         TEST: Calculate formula weight from _atom_site_*
         atom     mass    num     sum
         K        39.10    3.00  117.29
         Co       58.93    1.00   58.93
         Mo       95.94    6.00  575.64
         O        16.00   31.00  495.97
         H         1.01    0.00    0.00
         Calculated formula weight             1247.84
          The ratio of given/expected molecular weight as calculated
          from the _atom_site* data lies outside
          the range 0.99 <> 1.01


 1 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 0 Alert Level C = Please check

Computing details top

Data collection: STADI4 (Stoe & Cie, 1996); cell refinement: STADI4; data reduction: X-RED (Stoe & Cie, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997).

(I) top

Crystal data top

K₃[H₆CoMo₆O₂₄]·7H₂O	F(000) = 2416
M_r = 1268.03	D_x = 2.923 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71069 Å
a = 22.461 (4) Å	Cell parameters from 30 reflections
b = 11.295 (2) Å	θ = 9.6–10.4°
c = 11.394 (2) Å	µ = 3.63 mm⁻¹
β = 94.557 (9)°	T = 298 K
V = 2881.5 (9) Å³	Monoclinic, blue
Z = 4	0.25 × 0.20 × 0.20 mm

Data collection top

Stoe Stadi-4 diffractometer	5649 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	θ_max = 27.5°, θ_min = 1.8°
Graphite monochromator	h = −29→29
ω/2–θ scans	k = 0→14
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 1996)	l = 0→14
T_min = 0.502, T_max = 0.669	3 standard reflections every 60 min
6611 measured reflections	intensity decay: 3.0%
6611 independent reflections

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	H-atom parameters not refined
R[F² > 2σ(F²)] = 0.031	w = 1/[σ²(F_o²) + (0.0321P)² + 11.8333P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.082	(Δ/σ)_max = 0.001
S = 1.11	Δρ_max = 0.98 e Å⁻³
6611 reflections	Δρ_min = −0.69 e Å⁻³
374 parameters	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00144 (6)
Primary atom site location: structure-invariant direct methods

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Co1	0.5000	−0.5000	0.5000	0.01235 (16)
Mo1	0.426417 (19)	−0.40348 (4)	0.72168 (4)	0.01845 (10)
Mo2	0.351662 (18)	−0.49988 (4)	0.47835 (4)	0.01910 (10)
Mo3	0.425424 (18)	−0.59309 (4)	0.25543 (3)	0.01767 (10)
Oc1	0.43780 (14)	−0.5532 (3)	0.5906 (3)	0.0160 (6)
Oc2	0.43637 (14)	−0.4450 (3)	0.3922 (3)	0.0150 (6)
Oc3	0.49917 (14)	−0.6341 (3)	0.3979 (3)	0.0144 (6)
Ob4	0.50015 (15)	−0.4698 (3)	0.7958 (3)	0.0204 (7)
Ob5	0.37508 (15)	−0.3693 (3)	0.5829 (3)	0.0222 (7)
Ob6	0.37492 (15)	−0.6283 (3)	0.3763 (3)	0.0216 (7)
Ot7	0.43138 (18)	−0.2641 (3)	0.7814 (4)	0.0339 (9)
Ot8	0.37882 (17)	−0.4806 (4)	0.8027 (3)	0.0324 (9)
Ot9	0.31165 (17)	−0.5847 (4)	0.5670 (3)	0.0332 (9)
Ot10	0.30139 (18)	−0.4266 (4)	0.3847 (3)	0.0340 (9)
Ot11	0.37926 (17)	−0.5121 (3)	0.1596 (3)	0.0286 (8)
Ot12	0.42780 (17)	−0.7311 (3)	0.1932 (3)	0.0289 (8)
Co2	0.0000	−0.5000	0.5000	0.01222 (16)
Mo4	0.147416 (18)	−0.51008 (4)	0.53218 (4)	0.01812 (10)
Mo5	0.080823 (18)	−0.26527 (4)	0.43018 (4)	0.01786 (10)
Mo6	−0.067656 (18)	−0.25942 (4)	0.39516 (3)	0.01728 (10)
Oc13	0.06176 (14)	−0.6020 (3)	0.4570 (3)	0.0157 (6)
Oc14	0.06339 (14)	−0.4054 (3)	0.5715 (3)	0.0157 (6)
Oc15	0.00459 (14)	−0.3942 (3)	0.3705 (3)	0.0152 (6)
Ob16	0.11984 (15)	−0.6136 (3)	0.6533 (3)	0.0216 (7)
Ob17	0.12996 (15)	−0.4005 (3)	0.4040 (3)	0.0215 (7)
Ob18	0.00664 (15)	−0.1996 (3)	0.4757 (3)	0.0200 (7)
Ot19	0.19104 (16)	−0.6064 (3)	0.4606 (3)	0.0279 (8)
Ot20	0.19376 (17)	−0.4267 (4)	0.6250 (3)	0.0305 (8)
Ot21	0.12725 (17)	−0.1838 (3)	0.5238 (3)	0.0307 (8)
Ot22	0.08389 (17)	−0.1990 (4)	0.2948 (3)	0.0300 (8)
Ot23	−0.06261 (18)	−0.1934 (4)	0.2609 (3)	0.0318 (9)
Ot24	−0.11327 (17)	−0.1707 (3)	0.4698 (4)	0.0318 (9)
K1	0.20759 (6)	−0.30373 (13)	0.23275 (12)	0.0394 (3)
K2	0.16341 (7)	−0.53286 (14)	−0.13338 (12)	0.0448 (4)
K3	0.35375 (6)	−0.65458 (11)	−0.04259 (12)	0.0342 (3)
Ow1	0.48401 (19)	−0.6430 (3)	−0.0362 (3)	0.0325 (9)
Ow2	0.1958 (3)	−0.5533 (6)	0.2205 (5)	0.085 (2)
Ow3	0.2471 (2)	−0.6611 (5)	0.0392 (6)	0.0654 (16)
Ow4	0.30158 (18)	−0.3235 (4)	0.0960 (4)	0.0374 (10)
Ow5	0.0164 (3)	−0.5373 (4)	−0.1499 (4)	0.0472 (12)
Ow6	0.2578 (2)	−0.3792 (4)	−0.1302 (4)	0.0476 (11)
Ow7	0.2620 (2)	−0.6699 (5)	−0.2265 (5)	0.0606 (14)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co1	0.0152 (4)	0.0094 (4)	0.0123 (4)	0.0002 (3)	0.0002 (3)	0.0000 (3)
Mo1	0.0211 (2)	0.0177 (2)	0.01682 (19)	0.00208 (16)	0.00272 (15)	−0.00319 (15)
Mo2	0.01541 (19)	0.0212 (2)	0.0204 (2)	0.00147 (16)	−0.00061 (15)	−0.00010 (16)
Mo3	0.0205 (2)	0.01611 (19)	0.01582 (19)	0.00001 (15)	−0.00194 (15)	−0.00307 (15)
Oc1	0.0169 (15)	0.0146 (15)	0.0165 (15)	−0.0017 (12)	0.0021 (12)	0.0001 (12)
Oc2	0.0173 (15)	0.0122 (15)	0.0152 (15)	−0.0001 (12)	−0.0011 (12)	−0.0004 (12)
Oc3	0.0168 (15)	0.0122 (14)	0.0142 (15)	−0.0010 (12)	0.0007 (12)	−0.0032 (12)
Ob4	0.0250 (18)	0.0227 (17)	0.0135 (15)	−0.0003 (14)	0.0023 (13)	0.0035 (13)
Ob5	0.0221 (17)	0.0212 (17)	0.0228 (17)	0.0077 (14)	−0.0013 (13)	−0.0035 (14)
Ob6	0.0234 (18)	0.0195 (17)	0.0218 (17)	−0.0046 (14)	0.0011 (14)	−0.0038 (14)
Ot7	0.038 (2)	0.027 (2)	0.036 (2)	0.0058 (17)	0.0008 (17)	−0.0135 (17)
Ot8	0.027 (2)	0.043 (2)	0.029 (2)	0.0000 (17)	0.0112 (16)	0.0021 (17)
Ot9	0.0237 (19)	0.047 (2)	0.029 (2)	−0.0064 (18)	0.0052 (15)	0.0017 (18)
Ot10	0.029 (2)	0.039 (2)	0.033 (2)	0.0102 (18)	−0.0065 (16)	0.0022 (18)
Ot11	0.0263 (19)	0.034 (2)	0.0242 (18)	0.0058 (16)	−0.0060 (15)	−0.0008 (16)
Ot12	0.032 (2)	0.0227 (19)	0.032 (2)	−0.0023 (16)	0.0023 (16)	−0.0089 (16)
Co2	0.0133 (4)	0.0126 (4)	0.0106 (4)	0.0006 (3)	0.0002 (3)	−0.0001 (3)
Mo4	0.01426 (19)	0.0192 (2)	0.0206 (2)	0.00052 (15)	−0.00048 (15)	0.00042 (16)
Mo5	0.0179 (2)	0.0170 (2)	0.01882 (19)	−0.00162 (15)	0.00190 (15)	0.00324 (15)
Mo6	0.0183 (2)	0.01575 (19)	0.01764 (19)	0.00248 (15)	0.00027 (15)	0.00263 (15)
Oc13	0.0158 (15)	0.0161 (15)	0.0150 (15)	0.0028 (12)	0.0009 (12)	0.0003 (12)
Oc14	0.0147 (15)	0.0154 (15)	0.0169 (15)	−0.0011 (12)	0.0013 (12)	−0.0011 (12)
Oc15	0.0170 (15)	0.0165 (15)	0.0121 (14)	−0.0004 (12)	0.0006 (12)	0.0035 (12)
Ob16	0.0217 (17)	0.0230 (17)	0.0194 (16)	−0.0007 (14)	−0.0032 (13)	0.0029 (14)
Ob17	0.0187 (16)	0.0242 (18)	0.0222 (17)	0.0023 (14)	0.0064 (13)	0.0020 (14)
Ob18	0.0202 (17)	0.0176 (16)	0.0223 (17)	0.0002 (13)	0.0022 (13)	−0.0022 (13)
Ot19	0.0157 (16)	0.032 (2)	0.036 (2)	0.0064 (15)	0.0045 (15)	−0.0018 (17)
Ot20	0.0244 (19)	0.030 (2)	0.035 (2)	−0.0051 (16)	−0.0044 (16)	−0.0016 (17)
Ot21	0.0258 (19)	0.027 (2)	0.038 (2)	−0.0036 (16)	−0.0010 (16)	−0.0035 (17)
Ot22	0.034 (2)	0.032 (2)	0.0249 (19)	0.0016 (17)	0.0066 (16)	0.0107 (16)
Ot23	0.037 (2)	0.033 (2)	0.0246 (19)	−0.0035 (18)	−0.0027 (16)	0.0128 (17)
Ot24	0.028 (2)	0.028 (2)	0.039 (2)	0.0085 (16)	0.0033 (16)	−0.0072 (17)
K1	0.0406 (7)	0.0402 (7)	0.0377 (7)	0.0038 (6)	0.0044 (6)	0.0021 (6)
K2	0.0540 (9)	0.0514 (9)	0.0282 (7)	−0.0170 (7)	−0.0007 (6)	0.0035 (6)
K3	0.0353 (7)	0.0311 (6)	0.0360 (7)	0.0015 (5)	0.0007 (5)	−0.0057 (5)
Ow1	0.047 (2)	0.0224 (19)	0.028 (2)	−0.0020 (17)	0.0025 (17)	−0.0005 (16)
Ow2	0.129 (6)	0.076 (4)	0.053 (3)	−0.032 (4)	0.033 (4)	−0.021 (3)
Ow3	0.046 (3)	0.066 (4)	0.086 (4)	−0.007 (3)	0.021 (3)	−0.007 (3)
Ow4	0.031 (2)	0.032 (2)	0.048 (2)	−0.0045 (18)	−0.0050 (18)	0.0089 (19)
Ow5	0.091 (4)	0.026 (2)	0.025 (2)	0.000 (2)	0.008 (2)	−0.0004 (17)
Ow6	0.046 (3)	0.049 (3)	0.047 (3)	−0.003 (2)	0.001 (2)	−0.003 (2)
Ow7	0.055 (3)	0.076 (4)	0.049 (3)	−0.003 (3)	−0.003 (2)	−0.002 (3)

Geometric parameters (Å, º) top

Co1—Oc1ⁱ	1.899 (3)	Mo5—K2^v	3.9393 (19)
Co1—Oc1	1.899 (3)	Mo6—Ot24	1.707 (4)
Co1—Oc3	1.909 (3)	Mo6—Ot23	1.713 (4)
Co1—Oc3ⁱ	1.909 (3)	Mo6—Ob16^iv	1.906 (3)
Co1—Oc2	1.912 (3)	Mo6—Ob18	1.960 (3)
Co1—Oc2ⁱ	1.912 (3)	Mo6—Oc15	2.259 (3)
Co1—Mo3	3.3068 (6)	Mo6—Oc13^iv	2.295 (3)
Co1—Mo1	3.3111 (6)	Oc13—Mo6^iv	2.295 (3)
Co1—Mo2	3.3213 (7)	Oc1—Ot12ⁱⁱ	2.720 (5)
Mo1—Ot8	1.706 (4)	Oc2—Ot7^vi	2.676 (5)
Mo1—Ot7	1.715 (4)	Oc13—Ot23^vii	2.691 (5)
Mo1—Ob5	1.921 (3)	Oc14—Ot22^v	2.809 (5)
Mo1—Ob4	1.948 (3)	Ob16—Mo6^iv	1.906 (3)
Mo1—Oc3ⁱ	2.278 (3)	Ob16—K2ⁱⁱⁱ	2.705 (4)
Mo1—Oc1	2.283 (3)	Ot20—K1^v	2.884 (4)
Mo1—Mo2	3.3094 (7)	Ot20—K2ⁱⁱⁱ	3.128 (4)
Mo2—Ot9	1.700 (4)	Ot21—K1^v	2.874 (4)
Mo2—Ot10	1.705 (4)	Ot21—K2^v	3.177 (4)
Mo2—Ob5	1.943 (3)	K1—Ot22	3.151 (4)
Mo2—Ob6	1.956 (3)	K1—Ow4	2.731 (5)
Mo2—Oc2	2.294 (3)	K1—Ow6^v	2.775 (5)
Mo2—Oc1	2.313 (3)	K1—Ow2	2.834 (7)
Mo2—Mo3	3.3125 (7)	K1—Ot10	2.964 (4)
Mo2—K3ⁱⁱ	3.9106 (15)	K1—Ob17	2.930 (4)
Mo3—Ot11	1.710 (4)	K1—Ot21^vi	2.874 (4)
Mo3—Ot12	1.715 (4)	K1—Ot20^vi	2.884 (4)
Mo3—Ob6	1.895 (3)	K1—K2^v	4.243 (2)
Mo3—Ob4ⁱ	1.948 (3)	K1—K2	4.942 (2)
Mo3—Oc3	2.273 (3)	K2—Ob16^viii	2.705 (4)
Mo3—Oc2	2.286 (3)	K2—Ow6	2.739 (5)
Mo3—Mo1ⁱ	3.3175 (8)	K2—Ot24^vii	2.739 (4)
Mo3—K3	3.7063 (15)	K2—Ow7	2.966 (6)
Mo3—K3ⁱⁱ	4.0743 (14)	K2—Ow3	2.986 (7)
Oc3—Mo1ⁱ	2.278 (3)	K2—Ot20^viii	3.128 (4)
Ob4—Mo3ⁱ	1.948 (3)	K2—Ot21^vi	3.177 (4)
Ob6—K3ⁱⁱ	2.676 (4)	K2—Ot22^vi	3.239 (4)
Ot8—K3ⁱⁱⁱ	2.728 (4)	K2—Ow5	3.293 (6)
Ot9—K3ⁱⁱ	3.363 (5)	K2—Mo4^viii	3.8077 (16)
Co2—Oc13^iv	1.898 (3)	K2—Mo5^vi	3.9393 (19)
Co2—Oc13	1.898 (3)	K2—K1^vi	4.243 (2)
Co2—Oc15	1.908 (3)	K3—Ow3	2.639 (5)
Co2—Oc15^iv	1.908 (3)	K3—Ob6^ix	2.676 (4)
Co2—Oc14^iv	1.910 (3)	K3—Ot8^viii	2.728 (4)
Co2—Oc14	1.910 (3)	K3—Ot11	2.832 (4)
Co2—Mo6	3.2912 (6)	K3—Ot12	3.165 (4)
Co2—Mo4	3.3042 (7)	K3—Ow7	2.826 (5)
Co2—Mo5	3.3447 (6)	K3—Ow1	2.924 (4)
Mo4—Ot20	1.707 (4)	K3—Ot9^ix	3.363 (5)
Mo4—Ot19	1.713 (4)	K3—Mo2^ix	3.9106 (15)
Mo4—Ob17	1.930 (3)	K3—Mo3^ix	4.0743 (14)
Mo4—Ob16	1.947 (3)	Ow6—K1^vi	2.775 (5)
Mo4—Oc13	2.292 (3)	Ow1—Oc3^ix	2.657 (5)
Mo4—Oc14	2.301 (3)	Ow1—Ob4^viii	2.781 (5)
Mo4—Mo6^iv	3.3028 (7)	Ow2—Ow3	2.731 (8)
Mo4—Mo5	3.3102 (7)	Ow2—Ot24^vii	3.042 (8)
Mo4—K2ⁱⁱⁱ	3.8077 (15)	Ow3—Ot24^vii	3.002 (6)
Mo5—Ot21	1.702 (4)	Ow3—Ot19^ix	3.017 (7)
Mo5—Ot22	1.720 (4)	Ow3—Ow7	3.074 (8)
Mo5—Ob17	1.922 (3)	Ow4—Ob5^vi	2.744 (5)
Mo5—Ob18	1.932 (3)	Ow4—Ow6	2.757 (6)
Mo5—Oc15	2.309 (3)	Ow5—Oc15^x	2.637 (5)
Mo5—Oc14	2.313 (3)	Ow5—Ob18^vii	2.781 (5)
Mo5—Mo6	3.3278 (8)	Ow6—Ot20^viii	3.083 (6)
Mo5—K1	3.7913 (16)	Ow7—Ot9^viii	2.850 (7)

Oc1ⁱ—Co1—Oc1	180.00 (12)	Ot24—Mo6—Ob18	94.98 (17)
Oc1ⁱ—Co1—Oc3	83.77 (13)	Ot23—Mo6—Ob18	98.85 (16)
Oc1—Co1—Oc3	96.23 (13)	Ob16^iv—Mo6—Ob18	151.19 (14)
Oc1ⁱ—Co1—Oc3ⁱ	96.23 (13)	Ot24—Mo6—Oc15	157.34 (16)
Oc1—Co1—Oc3ⁱ	83.77 (13)	Ot23—Mo6—Oc15	94.77 (16)
Oc3—Co1—Oc3ⁱ	180.0 (2)	Ob16^iv—Mo6—Oc15	83.57 (13)
Oc1ⁱ—Co1—Oc2	95.32 (13)	Ob18—Mo6—Oc15	72.38 (13)
Oc1—Co1—Oc2	84.68 (13)	Ot24—Mo6—Oc13^iv	92.08 (16)
Oc3—Co1—Oc2	84.01 (13)	Ot23—Mo6—Oc13^iv	161.40 (16)
Oc3ⁱ—Co1—Oc2	95.99 (13)	Ob16^iv—Mo6—Oc13^iv	72.42 (13)
Oc1ⁱ—Co1—Oc2ⁱ	84.68 (13)	Ob18—Mo6—Oc13^iv	83.91 (13)
Oc1—Co1—Oc2ⁱ	95.32 (13)	Oc15—Mo6—Oc13^iv	68.38 (11)
Oc3—Co1—Oc2ⁱ	95.99 (13)	Co2—Oc13—Mo4	103.73 (14)
Oc3ⁱ—Co1—Oc2ⁱ	84.01 (13)	Co2—Oc13—Mo6^iv	103.02 (13)
Oc2—Co1—Oc2ⁱ	180.00 (13)	Mo4—Oc13—Mo6^iv	92.11 (11)
Ot8—Mo1—Ot7	106.1 (2)	Co2—Oc14—Mo4	102.98 (13)
Ot8—Mo1—Ob5	100.79 (17)	Co2—Oc14—Mo5	104.35 (14)
Ot7—Mo1—Ob5	99.08 (17)	Mo4—Oc14—Mo5	91.69 (11)
Ot8—Mo1—Ob4	96.71 (17)	Co2—Oc15—Mo6	104.04 (13)
Ot7—Mo1—Ob4	98.90 (17)	Co2—Oc15—Mo5	104.58 (13)
Ob5—Mo1—Ob4	150.26 (14)	Mo6—Oc15—Mo5	93.52 (12)
Ot8—Mo1—Oc3ⁱ	159.99 (16)	Mo6^iv—Ob16—Mo4	118.00 (17)
Ot7—Mo1—Oc3ⁱ	92.21 (16)	Mo6^iv—Ob16—K2ⁱⁱⁱ	133.17 (16)
Ob5—Mo1—Oc3ⁱ	83.76 (13)	Mo4—Ob16—K2ⁱⁱⁱ	108.77 (15)
Ob4—Mo1—Oc3ⁱ	72.06 (12)	Mo5—Ob17—Mo4	118.47 (17)
Ot8—Mo1—Oc1	94.78 (16)	Mo5—Ob17—K1	100.72 (14)
Ot7—Mo1—Oc1	158.74 (17)	Mo4—Ob17—K1	130.33 (15)
Ob5—Mo1—Oc1	72.65 (13)	Mo5—Ob18—Mo6	117.54 (17)
Ob4—Mo1—Oc1	82.13 (13)	Mo4—Ot20—K1^v	143.3 (2)
Oc3ⁱ—Mo1—Oc1	67.76 (11)	Mo4—Ot20—K2ⁱⁱⁱ	99.73 (16)
Ot9—Mo2—Ot10	106.9 (2)	K1^v—Ot20—K2ⁱⁱⁱ	89.70 (11)
Ot9—Mo2—Ob5	101.19 (18)	Mo5—Ot21—K1^v	143.7 (2)
Ot10—Mo2—Ob5	98.56 (18)	Mo5—Ot21—K2^v	103.55 (17)
Ot9—Mo2—Ob6	96.52 (18)	K1^v—Ot21—K2^v	109.44 (12)
Ot10—Mo2—Ob6	100.55 (17)	Mo5—Ot22—K1	97.86 (16)
Ob5—Mo2—Ob6	148.85 (14)	Mo5—Ot22—K2^v	100.71 (17)
Ot9—Mo2—Oc2	154.40 (16)	K1—Ot22—K2^v	83.21 (10)
Ot10—Mo2—Oc2	97.58 (16)	Mo6—Ot24—K2^xi	165.5 (2)
Ob5—Mo2—Oc2	82.18 (13)	Ow4—K1—Ow6^v	94.81 (14)
Ob6—Mo2—Oc2	71.12 (13)	Ow4—K1—Ow2	87.93 (16)
Ot9—Mo2—Oc1	89.05 (16)	Ow6^v—K1—Ow2	143.21 (18)
Ot10—Mo2—Oc1	162.91 (17)	Ow4—K1—Ot21^vi	89.22 (13)
Ob5—Mo2—Oc1	71.61 (13)	Ow6^v—K1—Ot21^vi	134.66 (14)
Ob6—Mo2—Oc1	83.37 (13)	Ow2—K1—Ot21^vi	81.97 (17)
Oc2—Mo2—Oc1	67.73 (11)	Ow4—K1—Ot20^vi	83.85 (12)
Ot11—Mo3—Ot12	105.05 (18)	Ow6^v—K1—Ot20^vi	65.98 (13)
Ot11—Mo3—Ob6	102.05 (17)	Ow2—K1—Ot20^vi	150.47 (17)
Ot12—Mo3—Ob6	98.61 (17)	Ot21^vi—K1—Ot20^vi	69.64 (11)
Ot11—Mo3—Ob4ⁱ	96.03 (17)	Ow4—K1—Ob17	151.33 (12)
Ot12—Mo3—Ob4ⁱ	98.74 (16)	Ow6^v—K1—Ob17	98.05 (13)
Ob6—Mo3—Ob4ⁱ	150.67 (14)	Ow2—K1—Ob17	66.62 (14)
Ot11—Mo3—Oc3	159.31 (15)	Ot21^vi—K1—Ob17	99.53 (11)
Ot12—Mo3—Oc3	93.73 (15)	Ot20^vi—K1—Ob17	124.80 (11)
Ob6—Mo3—Oc3	83.25 (13)	Ow4—K1—Ot10	75.47 (12)
Ob4ⁱ—Mo3—Oc3	72.18 (12)	Ow6^v—K1—Ot10	77.38 (13)
Ot11—Mo3—Oc2	94.05 (15)	Ow2—K1—Ot10	67.82 (18)
Ot12—Mo3—Oc2	160.33 (15)	Ot21^vi—K1—Ot10	146.24 (13)
Ob6—Mo3—Oc2	72.32 (13)	Ot20^vi—K1—Ot10	135.97 (12)
Ob4ⁱ—Mo3—Oc2	83.63 (13)	Ob17—K1—Ot10	82.48 (11)
Oc3—Mo3—Oc2	68.25 (11)	Ow4—K1—Ot22	153.40 (12)
Ot11—Mo3—Co1	127.49 (13)	Ow6^v—K1—Ot22	85.45 (13)
Ot12—Mo3—Co1	127.39 (13)	Ow2—K1—Ot22	107.67 (17)
Ob6—Mo3—Co1	75.32 (10)	Ot21^vi—K1—Ot22	72.39 (11)
Ob4ⁱ—Mo3—Co1	75.35 (10)	Ot20^vi—K1—Ot22	71.93 (11)
Oc3—Mo3—Co1	34.05 (8)	Ob17—K1—Ot22	53.75 (10)
Oc2—Mo3—Co1	34.20 (8)	Ot10—K1—Ot22	130.03 (11)
Co1—Oc1—Mo1	104.29 (14)	Ob16^viii—K2—Ow6	116.74 (13)
Co1—Oc1—Mo2	103.66 (13)	Ob16^viii—K2—Ot24^vii	106.31 (12)
Mo1—Oc1—Mo2	92.11 (12)	Ow6—K2—Ot24^vii	135.34 (14)
Co1—Oc2—Mo3	103.58 (13)	Ob16^viii—K2—Ow7	74.31 (13)
Co1—Oc2—Mo2	103.92 (13)	Ow6—K2—Ow7	74.70 (16)
Mo3—Oc2—Mo2	92.65 (11)	Ot24^vii—K2—Ow7	107.80 (15)
Co1—Oc3—Mo3	104.16 (13)	Ob16^viii—K2—Ow3	126.31 (15)
Co1—Oc3—Mo1ⁱ	104.14 (13)	Ow6—K2—Ow3	81.51 (15)
Mo3—Oc3—Mo1ⁱ	93.59 (11)	Ot24^vii—K2—Ow3	63.08 (13)
Mo1—Ob4—Mo3ⁱ	116.77 (16)	Ow7—K2—Ow3	62.20 (15)
Mo1—Ob5—Mo2	117.88 (17)	Ob16^viii—K2—Ot20^viii	55.03 (10)
Mo3—Ob6—Mo2	118.66 (17)	Ow6—K2—Ot20^viii	62.99 (12)
Mo3—Ob6—K3ⁱⁱ	125.20 (16)	Ot24^vii—K2—Ot20^viii	161.31 (12)
Mo2—Ob6—K3ⁱⁱ	114.30 (15)	Ow7—K2—Ot20^viii	70.36 (14)
Mo1—Ot8—K3ⁱⁱⁱ	152.6 (2)	Ow3—K2—Ot20^viii	126.58 (14)
Mo2—Ot9—K3ⁱⁱ	95.48 (16)	Ob16^viii—K2—Ot21^vi	132.52 (12)
Mo2—Ot10—K1	176.1 (2)	Ow6—K2—Ot21^vi	74.73 (13)
Mo3—Ot11—K3	106.76 (17)	Ot24^vii—K2—Ot21^vi	85.24 (12)
Mo3—Ot12—K3	94.09 (16)	Ow7—K2—Ot21^vi	146.67 (14)
Oc13^iv—Co2—Oc13	180.0	Ow3—K2—Ot21^vi	100.27 (14)
Oc13^iv—Co2—Oc15	84.54 (13)	Ot20^viii—K2—Ot21^vi	106.53 (11)
Oc13—Co2—Oc15	95.46 (13)	Ob16^viii—K2—Ot22^vi	83.84 (11)
Oc13^iv—Co2—Oc15^iv	95.46 (13)	Ow6—K2—Ot22^vi	84.36 (13)
Oc13—Co2—Oc15^iv	84.54 (13)	Ot24^vii—K2—Ot22^vi	112.55 (12)
Oc15—Co2—Oc15^iv	180.00 (19)	Ow7—K2—Ot22^vi	138.08 (14)
Oc13^iv—Co2—Oc14^iv	85.09 (13)	Ow3—K2—Ot22^vi	149.85 (14)
Oc13—Co2—Oc14^iv	94.91 (13)	Ot20^viii—K2—Ot22^vi	67.79 (10)
Oc15—Co2—Oc14^iv	96.02 (13)	Ot21^vi—K2—Ot22^vi	50.11 (10)
Oc15^iv—Co2—Oc14^iv	83.98 (13)	Ob16^viii—K2—Ow5	69.76 (11)
Oc13^iv—Co2—Oc14	94.91 (13)	Ow6—K2—Ow5	141.47 (14)
Oc13—Co2—Oc14	85.09 (13)	Ot24^vii—K2—Ow5	64.25 (11)
Oc15—Co2—Oc14	83.98 (13)	Ow7—K2—Ow5	138.19 (14)
Oc15^iv—Co2—Oc14	96.02 (13)	Ow3—K2—Ow5	127.33 (13)
Oc14^iv—Co2—Oc14	180.0 (2)	Ot20^viii—K2—Ow5	104.08 (11)
Ot20—Mo4—Ot19	107.54 (18)	Ot21^vi—K2—Ow5	75.15 (11)
Ot20—Mo4—Ob17	101.09 (17)	Ot22^vi—K2—Ow5	57.81 (11)
Ot19—Mo4—Ob17	97.82 (16)	Ow3—K3—Ob6^ix	106.70 (15)
Ot20—Mo4—Ob16	96.02 (17)	Ow3—K3—Ot8^viii	119.22 (17)
Ot19—Mo4—Ob16	100.51 (17)	Ob6^ix—K3—Ot8^viii	112.68 (12)
Ob17—Mo4—Ob16	149.79 (14)	Ow3—K3—Ow7	68.36 (18)
Ot20—Mo4—Oc13	159.10 (16)	Ob6^ix—K3—Ow7	80.05 (15)
Ot19—Mo4—Oc13	91.67 (15)	Ot8^viii—K3—Ow7	74.98 (15)
Ob17—Mo4—Oc13	83.90 (13)	Ow3—K3—Ot11	81.91 (16)
Ob16—Mo4—Oc13	71.81 (12)	Ob6^ix—K3—Ot11	140.51 (11)
Ot20—Mo4—Oc14	93.74 (16)	Ot8^viii—K3—Ot11	94.44 (12)
Ot19—Mo4—Oc14	158.09 (15)	Ow7—K3—Ot11	136.61 (15)
Ob17—Mo4—Oc14	72.39 (13)	Ow3—K3—Ow1	157.95 (17)
Ob16—Mo4—Oc14	81.88 (13)	Ob6^ix—K3—Ow1	81.06 (11)
Oc13—Mo4—Oc14	68.19 (11)	Ot8^viii—K3—Ow1	74.11 (12)
Ot21—Mo5—Ot22	105.13 (19)	Ow7—K3—Ow1	133.69 (14)
Ot21—Mo5—Ob17	101.31 (17)	Ot11—K3—Ow1	79.46 (11)
Ot22—Mo5—Ob17	98.18 (17)	Ow3—K3—Ot12	97.06 (16)
Ot21—Mo5—Ob18	97.05 (17)	Ob6^ix—K3—Ot12	86.96 (10)
Ot22—Mo5—Ob18	99.82 (16)	Ot8^viii—K3—Ot12	128.56 (12)
Ob17—Mo5—Ob18	149.87 (14)	Ow7—K3—Ot12	156.33 (15)
Ot21—Mo5—Oc15	158.26 (16)	Ot11—K3—Ot12	53.56 (10)
Ot22—Mo5—Oc15	95.28 (15)	Ow1—K3—Ot12	62.22 (11)
Ob17—Mo5—Oc15	82.78 (13)	Ow3—K3—Ot9^ix	63.54 (15)
Ob18—Mo5—Oc15	71.70 (13)	Ob6^ix—K3—Ot9^ix	52.32 (10)
Ot21—Mo5—Oc14	93.58 (16)	Ot8^viii—K3—Ot9^ix	161.62 (12)
Ot22—Mo5—Oc14	160.48 (16)	Ow7—K3—Ot9^ix	90.67 (14)
Ob17—Mo5—Oc14	72.25 (13)	Ot11—K3—Ot9^ix	103.91 (11)
Ob18—Mo5—Oc14	83.01 (13)	Ow1—K3—Ot9^ix	109.89 (10)
Oc15—Mo5—Oc14	67.09 (11)	Ot12—K3—Ot9^ix	65.81 (10)
Ot24—Mo6—Ot23	105.9 (2)	K3—Ow3—K2	107.2 (2)
Ot24—Mo6—Ob16^iv	101.90 (17)	K2—Ow6—K1^vi	100.64 (16)
Ot23—Mo6—Ob16^iv	98.72 (17)	K3—Ow7—K2	102.94 (17)

Symmetry codes: (i) −x+1, −y−1, −z+1; (ii) x, −y−3/2, z+1/2; (iii) x, y, z+1; (iv) −x, −y−1, −z+1; (v) x, −y−1/2, z+1/2; (vi) x, −y−1/2, z−1/2; (vii) −x, y−1/2, −z+1/2; (viii) x, y, z−1; (ix) x, −y−3/2, z−1/2; (x) −x, −y−1, −z; (xi) −x, y+1/2, −z+1/2.

Hydrogen-bond geometry (Å) top

D—H···A	D···A
Oc1···Ot12ⁱⁱ	2.720 (5)
Oc2···Ot7^vi	2.676 (5)
Oc13···Ot23^vii	2.691 (5)
Oc14···Ot22^v	2.809 (5)
Ow1···Oc3^ix	2.657 (5)
Ow1···Ob4^viii	2.781 (5)
Ow1···Ob4ⁱ	3.016 (5)
Ow2···Ow3	2.731 (8)
Ow2···Ot19	2.811 (7)
Ow2···Ot24^vii	3.042 (8)
Ow3···Ot24^vii	3.002 (6)
Ow3···Ot19^ix	3.017 (7)
Ow3···Ow7	3.074 (8)
Ow4···Ob5^vi	2.744 (5)
Ow4···Ot11	2.810 (5)
Ow4···Ow6	2.757 (6)
Ow5···Oc15^x	2.636 (5)
Ow5···Ob18^vii	2.779 (5)
Ow5···Ob18^vi	3.047 (5)
Ow6···Ot20^viii	3.082 (6)
Ow6···Ot8^viii	3.100 (6)
Ow7···Ot9^viii	2.849 (7)

Symmetry codes: (i) −x+1, −y−1, −z+1; (ii) x, −y−3/2, z+1/2; (v) x, −y−1/2, z+1/2; (vi) x, −y−1/2, z−1/2; (vii) −x, y−1/2, −z+1/2; (viii) x, y, z−1; (ix) x, −y−3/2, z−1/2; (x) −x, −y−1, −z.

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Tripotassium hexa­hydrogen hexamolybdocobaltate(III) heptahydrate, K3[H6CoMo6O24]·7H2O

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Key indicators

checkCIF results

Tripotassium hexahydrogen hexamolybdocobaltate(III) heptahydrate, K₃[H₆CoMo₆O₂₄]·7H₂O