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The title compound, K2[H7CrMo6O24]·8H2O, contains an unexpectedly protonated polyanion, [H7CrMo6O24]2- in the B series Anderson-type heteropolyoxomolybdate. It was obtained by recrystallizing K3[H6CrMo6O24nH2O at pH 1.80. The asymmetric unit contains two crystallographically independent polyanions that have Ci (\overline{1}) symmetry. Six O atoms of the central CrO6 octa­hedron and one atom of an edge-shared MoO6 octa­hedron are protonated.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806052883/bt2216sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806052883/bt2216Isup2.hkl
Contains datablock I

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](r-O) = 0.003 Å
  • H-atom completeness 83%
  • R factor = 0.029
  • wR factor = 0.073
  • Data-to-parameter ratio = 13.1

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O31W
Author Response: : Explained in the _publ_section_exptl_refinement.
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......       O32W
Author Response: : Explained in the _publ_section_exptl_refinement.

Alert level B CHEMS01_ALERT_1_B The sum formula contains elements in the wrong order. H precedes Cr Sequence must be C, H, then alphabetical. PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 5.00 Ratio
Author Response: : Explained in the _publ_section_exptl_refinement.
PLAT355_ALERT_3_B Long    O-H Bond (0.82A)   O30W   -   H30A   ...       1.09 Ang.

Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ?
Author Response: : Because H atoms of H2O(O31w, O32w) were not included.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
Author Response: : Because H atoms of H2O(O31w, O32w) were not included.
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
Author Response: : It is no problem.
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
Author Response: : Because H atoms of H2O(O31w, O32w) were not included.
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          9
              O
Author Response: : Because it is grouping.

Alert level G FORMU01_ALERT_2_G 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:H23 Cr1 K2 Mo6 O32 Atom count from the _atom_site data: H19 Cr1 K2 Mo6 O32 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional? From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_sum H23 Cr K2 Mo6 O32 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff H 46.00 38.00 8.00 Cr 2.00 2.00 0.00 K 4.00 4.00 0.00 Mo 12.00 12.00 0.00 O 64.00 64.00 0.00
2 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 1998); software used to prepare material for publication: SHELXL97.

Dipotassium heptahydrogenhexamolybdochromate(III) octahydrate top
Crystal data top
K2[H7CrMo6O24]·8H2OZ = 2
Mr = 1241.02F(000) = 1186
Triclinic, P1Dx = 2.954 Mg m3
Hall symbol: -p_1Mo Kα radiation, λ = 0.71073 Å
a = 10.4733 (6) ÅCell parameters from 5418 reflections
b = 10.8698 (6) Åθ = 2.3–28.3°
c = 12.6540 (7) ŵ = 3.40 mm1
α = 99.309 (1)°T = 173 K
β = 94.465 (1)°Block, purple
γ = 99.256 (1)°0.32 × 0.25 × 0.20 mm
V = 1395.08 (14) Å3
Data collection top
Bruker SMART CCD
diffractometer
5360 independent reflections
Radiation source: fine-focus sealed tube5200 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.025
Detector resolution: 10.00 pixels mm-1θmax = 26.0°, θmin = 1.9°
φ and ω scansh = 1212
Absorption correction: multi-scan
(SADABS; Sheldrick, 1999)
k = 1313
Tmin = 0.380, Tmax = 0.512l = 1515
10855 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.029H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.074 w = 1/[σ2(Fo2) + (0.0228P)2 + 4.6144P]
where P = (Fo2 + 2Fc2)/3
S = 1.19(Δ/σ)max < 0.001
5360 reflectionsΔρmax = 0.85 e Å3
408 parametersΔρmin = 0.85 e Å3
19 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0065 (2)
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
xyzUiso*/UeqOcc. (<1)
Cr10.50000.00001.00000.00920 (19)
Cr20.50000.50000.50000.00872 (19)
Mo10.23269 (4)0.13635 (3)0.99553 (3)0.01225 (10)
Mo20.20800 (3)0.17242 (3)0.90584 (3)0.01183 (10)
Mo30.47641 (4)0.31122 (3)0.92196 (3)0.01144 (10)
Mo40.79231 (3)0.42377 (3)0.46277 (3)0.01091 (10)
Mo50.52137 (3)0.19390 (3)0.43521 (3)0.01023 (10)
Mo60.23141 (3)0.27475 (3)0.46833 (3)0.01041 (10)
K10.06889 (10)0.02286 (10)0.66879 (8)0.0206 (2)
K20.92829 (10)0.58480 (10)0.77802 (8)0.0225 (2)
O1C0.4159 (3)0.1136 (3)1.0986 (2)0.0117 (6)
H10.409 (5)0.102 (5)1.153 (4)0.010 (13)*
O2C0.3523 (3)0.0068 (3)0.8952 (2)0.0118 (6)
H20.362 (6)0.027 (6)0.844 (5)0.034 (18)*
O3C0.3919 (3)0.1596 (3)1.0194 (2)0.0119 (6)
H30.383 (7)0.164 (7)1.086 (5)0.05 (2)*
O4B0.1717 (3)0.0379 (3)1.0105 (2)0.0152 (6)
O5B0.3370 (3)0.2593 (3)0.8306 (2)0.0135 (6)
H50.324 (11)0.275 (11)0.774 (6)0.020*0.50
O6B0.6223 (3)0.2659 (3)1.0259 (2)0.0143 (6)
O7T0.1322 (3)0.1465 (3)0.8859 (3)0.0207 (7)
O8T0.1740 (3)0.2123 (3)1.1050 (3)0.0208 (7)
O9T0.1159 (3)0.1627 (3)0.7908 (2)0.0191 (7)
O10T0.1270 (3)0.2973 (3)0.9531 (3)0.0205 (7)
O11T0.3865 (3)0.4278 (3)0.9733 (2)0.0187 (7)
O12T0.5387 (3)0.3859 (3)0.8116 (2)0.0171 (6)
O13C0.4145 (3)0.3517 (3)0.3921 (2)0.0109 (6)
H130.40410.36170.31650.016*
O14C0.3524 (3)0.4486 (3)0.5815 (2)0.0108 (6)
H140.362 (6)0.438 (6)0.637 (5)0.037 (19)*
O15C0.3914 (3)0.6196 (3)0.4554 (2)0.0108 (6)
H150.373 (6)0.613 (6)0.383 (4)0.034 (16)*
O16B0.6638 (3)0.2881 (3)0.3675 (2)0.0133 (6)
H160.667 (10)0.282 (10)0.302 (6)0.020*0.50
O17B0.8274 (3)0.5774 (3)0.5674 (2)0.0124 (6)
O18B0.3752 (3)0.1933 (3)0.5152 (2)0.0127 (6)
O19T0.8820 (3)0.4577 (3)0.3616 (2)0.0184 (7)
O20T0.8744 (3)0.3341 (3)0.5323 (3)0.0200 (7)
O21T0.6089 (3)0.1094 (3)0.5063 (2)0.0170 (6)
O22T0.4578 (3)0.0957 (3)0.3161 (2)0.0164 (6)
O23T0.1364 (3)0.2370 (3)0.5654 (2)0.0166 (6)
O24T0.1677 (3)0.1714 (3)0.3530 (2)0.0185 (7)
O25W0.8718 (3)0.0732 (3)0.5303 (3)0.0214 (7)
H25A0.87230.16350.53790.032*
H25B0.78720.03140.54380.032*
O26W0.8491 (3)0.0647 (3)0.7784 (3)0.0246 (7)
H26A0.88080.10350.85190.037*
H26B0.80530.01480.77630.037*
O27W0.3571 (4)0.1166 (4)0.7136 (3)0.0281 (8)
H27A0.371 (6)0.115 (6)0.652 (5)0.030 (16)*
H27B0.338 (7)0.180 (6)0.731 (5)0.04 (2)*
O28W0.6801 (3)0.4221 (3)0.7521 (2)0.0209 (7)
H28A0.62070.46400.79240.031*
H28B0.68940.34540.77810.031*
O29W0.8744 (4)0.5441 (4)0.9819 (3)0.0391 (10)
H29A0.78560.55130.99060.059*
H29B0.88790.46070.99020.059*
O30W0.0205 (5)0.3482 (5)0.7820 (5)0.0644 (15)
H30A0.06900.28350.78780.097*
H30B0.08440.35840.84290.097*
O31W0.3600 (3)0.8232 (3)1.2193 (2)0.0221 (7)
O32W0.3037 (3)0.3652 (3)0.7740 (3)0.0252 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cr10.0087 (5)0.0105 (4)0.0082 (4)0.0018 (3)0.0001 (3)0.0010 (3)
Cr20.0080 (5)0.0096 (4)0.0082 (4)0.0015 (3)0.0003 (3)0.0007 (3)
Mo10.0115 (2)0.01436 (19)0.01122 (17)0.00437 (14)0.00056 (13)0.00140 (13)
Mo20.00988 (19)0.01347 (19)0.01121 (17)0.00058 (14)0.00043 (13)0.00162 (13)
Mo30.0131 (2)0.01082 (18)0.01012 (17)0.00251 (14)0.00102 (13)0.00076 (13)
Mo40.00780 (19)0.01214 (18)0.01298 (18)0.00238 (13)0.00098 (13)0.00221 (13)
Mo50.00980 (19)0.00992 (18)0.01067 (17)0.00208 (13)0.00022 (13)0.00104 (13)
Mo60.00846 (19)0.01080 (18)0.01132 (17)0.00041 (13)0.00017 (13)0.00179 (13)
K10.0185 (5)0.0270 (5)0.0173 (5)0.0041 (4)0.0008 (4)0.0075 (4)
K20.0175 (5)0.0319 (6)0.0167 (5)0.0009 (4)0.0013 (4)0.0035 (4)
O1C0.0143 (16)0.0148 (15)0.0068 (14)0.0045 (12)0.0023 (11)0.0014 (11)
O2C0.0114 (15)0.0156 (15)0.0087 (14)0.0019 (11)0.0013 (11)0.0038 (11)
O3C0.0130 (15)0.0124 (14)0.0098 (14)0.0008 (11)0.0013 (11)0.0024 (11)
O4B0.0145 (16)0.0179 (15)0.0131 (14)0.0029 (12)0.0031 (11)0.0017 (11)
O5B0.0127 (16)0.0165 (15)0.0111 (13)0.0040 (12)0.0005 (12)0.0008 (12)
O6B0.0165 (16)0.0145 (14)0.0119 (13)0.0022 (12)0.0008 (11)0.0034 (11)
O7T0.0160 (17)0.0248 (17)0.0209 (16)0.0032 (13)0.0040 (13)0.0062 (13)
O8T0.0201 (18)0.0229 (17)0.0204 (16)0.0079 (13)0.0065 (13)0.0009 (13)
O9T0.0189 (17)0.0219 (17)0.0150 (15)0.0034 (13)0.0040 (12)0.0019 (12)
O10T0.0171 (17)0.0214 (17)0.0226 (16)0.0000 (13)0.0026 (13)0.0061 (13)
O11T0.0181 (17)0.0176 (16)0.0216 (16)0.0028 (13)0.0036 (13)0.0065 (12)
O12T0.0198 (17)0.0172 (15)0.0150 (14)0.0072 (13)0.0020 (12)0.0006 (12)
O13C0.0092 (15)0.0132 (14)0.0099 (13)0.0020 (11)0.0009 (11)0.0022 (11)
O14C0.0078 (15)0.0148 (15)0.0102 (14)0.0016 (11)0.0007 (11)0.0041 (11)
O15C0.0099 (15)0.0129 (14)0.0095 (13)0.0022 (11)0.0009 (11)0.0025 (11)
O16B0.0139 (16)0.0152 (15)0.0104 (14)0.0023 (12)0.0029 (11)0.0010 (11)
O17B0.0113 (15)0.0119 (14)0.0134 (14)0.0014 (11)0.0000 (11)0.0021 (11)
O18B0.0108 (15)0.0148 (14)0.0137 (14)0.0030 (11)0.0023 (11)0.0047 (11)
O19T0.0133 (16)0.0198 (16)0.0214 (16)0.0004 (12)0.0063 (12)0.0028 (12)
O20T0.0153 (17)0.0164 (16)0.0281 (17)0.0058 (12)0.0032 (13)0.0031 (13)
O21T0.0133 (16)0.0148 (15)0.0239 (16)0.0033 (12)0.0005 (12)0.0060 (12)
O22T0.0156 (16)0.0149 (15)0.0170 (15)0.0013 (12)0.0005 (12)0.0007 (12)
O23T0.0131 (16)0.0179 (15)0.0189 (15)0.0002 (12)0.0029 (12)0.0059 (12)
O24T0.0165 (17)0.0191 (16)0.0172 (15)0.0005 (13)0.0050 (12)0.0010 (12)
O25W0.0184 (17)0.0197 (16)0.0269 (17)0.0053 (13)0.0005 (13)0.0051 (13)
O26W0.027 (2)0.0262 (18)0.0192 (16)0.0025 (15)0.0050 (14)0.0022 (13)
O27W0.041 (2)0.032 (2)0.0160 (18)0.0117 (18)0.0059 (15)0.0101 (15)
O28W0.0256 (19)0.0207 (16)0.0178 (15)0.0073 (14)0.0034 (13)0.0037 (12)
O29W0.040 (2)0.040 (2)0.042 (2)0.0096 (19)0.0100 (19)0.0167 (18)
O30W0.041 (3)0.043 (3)0.118 (5)0.017 (2)0.012 (3)0.030 (3)
O31W0.0300 (19)0.0216 (17)0.0133 (14)0.0004 (14)0.0011 (13)0.0051 (12)
O32W0.027 (2)0.0312 (19)0.0158 (15)0.0003 (15)0.0022 (13)0.0048 (14)
Geometric parameters (Å, º) top
Cr1—O1C1.969 (3)Mo6—O24T1.707 (3)
Cr1—O2C1.976 (3)Mo6—O13C2.310 (3)
Cr1—O3C1.975 (3)Mo6—O14C2.302 (3)
Cr2—O13C1.974 (3)Mo6—O17Bii1.917 (3)
Cr2—O14C1.980 (3)Mo6—O18B1.965 (3)
Cr2—O15C1.978 (3)K1—O25Wiii2.783 (3)
Cr1—O1Ci1.969 (3)K1—O25Wiv2.724 (3)
Cr1—O3Ci1.975 (3)K1—O9T2.812 (3)
Cr1—O2Ci1.976 (3)K1—O26Wiii2.839 (3)
Cr2—O13Cii1.974 (3)K1—O7T2.833 (3)
Cr2—O15Cii1.978 (3)K1—O23T2.869 (3)
Cr2—O14Cii1.980 (3)K1—O24Tv2.949 (3)
Mo1—O8T1.704 (3)K1—O27W3.004 (4)
Mo1—O7T1.704 (3)K1—H27B3.03 (7)
Mo1—O1C2.305 (3)K2—O29W2.773 (4)
Mo1—O2C2.324 (3)K2—O17B2.773 (3)
Mo1—O4B1.943 (3)K2—O19Tvi2.804 (3)
Mo1—O6Bi1.965 (3)K2—O8Tvii2.855 (3)
Mo2—O2C2.295 (3)K2—O28W2.862 (4)
Mo2—O3C2.283 (3)K2—O30Wviii2.895 (5)
Mo2—O4B1.915 (3)K2—O10Tix2.896 (3)
Mo2—O5B1.986 (3)K2—O9Tix3.081 (3)
Mo2—O10T1.700 (3)O1C—H10.73 (5)
Mo2—O9T1.710 (3)O2C—H20.72 (5)
Mo3—O11T1.701 (3)O3C—H30.86 (6)
Mo3—O12T1.726 (3)O5B—H50.71 (8)
Mo3—O1Ci2.324 (3)O13C—H130.9800
Mo3—O3C2.236 (3)O14C—H140.73 (6)
Mo3—O5B2.000 (3)O15C—H150.91 (5)
Mo3—O6B1.882 (3)O16B—H160.83 (8)
Mo4—O19T1.699 (3)O25W—H25A0.9700
Mo4—O20T1.701 (3)O25W—H25B0.9700
Mo4—O16B1.993 (3)O26W—H26A0.9666
Mo4—O17B1.921 (3)O26W—H26B0.9064
Mo4—O14Cii2.309 (3)O27W—H27A0.80 (5)
Mo4—O15Cii2.275 (3)O27W—H27B0.75 (6)
Mo5—O21T1.703 (3)O28W—H28A0.9600
Mo5—O22T1.717 (3)O28W—H28B0.9600
Mo5—O13C2.306 (3)O29W—H29A0.9600
Mo5—O15Cii2.272 (3)O29W—H29B0.9600
Mo5—O16B2.000 (3)O30W—H30A1.0930
Mo5—O18B1.900 (3)O30W—H30B0.9600
Mo6—O23T1.700 (3)
Mo1—O1C—Mo3i91.44 (11)O12T—Mo3—O1Ci91.94 (13)
Mo2—O2C—Mo192.13 (11)O6B—Mo3—O1Ci72.69 (11)
Mo3—O3C—Mo297.78 (11)O5B—Mo3—O1Ci80.51 (12)
Mo2—O4B—Mo1119.10 (15)O3C—Mo3—O1Ci70.39 (11)
Mo2—O5B—Mo3117.37 (14)O19T—Mo4—O20T106.36 (16)
Mo3—O6B—Mo1i118.93 (14)O19T—Mo4—O17B104.21 (14)
Mo5—O13C—Mo692.44 (10)O20T—Mo4—O17B98.14 (14)
Mo6—O14C—Mo4ii91.62 (10)O19T—Mo4—O16B94.10 (14)
Mo5ii—O15C—Mo4ii97.58 (11)O20T—Mo4—O16B100.09 (14)
Mo4—O16B—Mo5117.88 (14)O17B—Mo4—O16B149.28 (12)
Mo6ii—O17B—Mo4118.96 (14)O19T—Mo4—O15Cii156.72 (13)
Mo5—O18B—Mo6119.15 (14)O20T—Mo4—O15Cii93.37 (13)
O1Ci—Cr1—O1C180.000 (1)O17B—Mo4—O15Cii84.60 (11)
O1Ci—Cr1—O3C83.63 (12)O16B—Mo4—O15Cii69.87 (11)
O1C—Cr1—O3C96.37 (13)O19T—Mo4—O14Cii91.55 (13)
O1Ci—Cr1—O3Ci96.37 (12)O20T—Mo4—O14Cii161.40 (14)
O1C—Cr1—O3Ci83.63 (13)O17B—Mo4—O14Cii72.02 (11)
O3C—Cr1—O3Ci180.000 (1)O16B—Mo4—O14Cii83.20 (11)
O1Ci—Cr1—O2Ci83.71 (12)O15Cii—Mo4—O14Cii70.41 (10)
O1C—Cr1—O2Ci96.29 (12)O21T—Mo5—O22T106.71 (15)
O3C—Cr1—O2Ci96.13 (12)O21T—Mo5—O18B99.36 (14)
O3Ci—Cr1—O2Ci83.87 (12)O22T—Mo5—O18B102.69 (14)
O1Ci—Cr1—O2C96.29 (12)O21T—Mo5—O16B100.02 (14)
O1C—Cr1—O2C83.71 (12)O22T—Mo5—O16B93.28 (13)
O3C—Cr1—O2C83.87 (12)O18B—Mo5—O16B150.08 (12)
O3Ci—Cr1—O2C96.13 (12)O21T—Mo5—O15Cii92.90 (13)
O2Ci—Cr1—O2C180.000 (1)O22T—Mo5—O15Cii156.32 (12)
O13Cii—Cr2—O13C180.000 (1)O18B—Mo5—O15Cii86.64 (12)
O13Cii—Cr2—O15Cii96.38 (11)O16B—Mo5—O15Cii69.83 (11)
O13C—Cr2—O15Cii83.62 (11)O21T—Mo5—O13C161.40 (12)
O13Cii—Cr2—O15C83.62 (11)O22T—Mo5—O13C91.56 (12)
O13C—Cr2—O15C96.38 (11)O18B—Mo5—O13C72.53 (11)
O15Cii—Cr2—O15C180.000 (1)O16B—Mo5—O13C82.01 (11)
O13Cii—Cr2—O14Cii83.40 (12)O15Cii—Mo5—O13C70.28 (10)
O13C—Cr2—O14Cii96.60 (12)O23T—Mo6—O24T106.31 (15)
O15Cii—Cr2—O14Cii83.76 (12)O23T—Mo6—O17Bii102.60 (14)
O15C—Cr2—O14Cii96.24 (12)O24T—Mo6—O17Bii98.23 (14)
O13Cii—Cr2—O14C96.60 (12)O23T—Mo6—O18B95.69 (13)
O13C—Cr2—O14C83.40 (12)O24T—Mo6—O18B100.28 (14)
O15Cii—Cr2—O14C96.24 (12)O17Bii—Mo6—O18B149.09 (12)
O15C—Cr2—O14C83.76 (12)O23T—Mo6—O14C92.67 (13)
O14Cii—Cr2—O14C180.00 (11)O24T—Mo6—O14C160.38 (13)
O8T—Mo1—O7T106.52 (16)O17Bii—Mo6—O14C72.23 (11)
O8T—Mo1—O4B99.27 (14)O18B—Mo6—O14C82.33 (11)
O7T—Mo1—O4B100.29 (14)O23T—Mo6—O13C158.86 (13)
O8T—Mo1—O6Bi101.48 (14)O24T—Mo6—O13C92.69 (13)
O7T—Mo1—O6Bi96.72 (14)O17Bii—Mo6—O13C83.28 (11)
O4B—Mo1—O6Bi148.09 (13)O18B—Mo6—O13C71.36 (11)
O8T—Mo1—O1C91.76 (13)O14C—Mo6—O13C69.54 (10)
O7T—Mo1—O1C160.24 (14)O25Wiii—K1—O25Wiv76.51 (11)
O4B—Mo1—O1C83.67 (12)O25Wiii—K1—O9T139.33 (10)
O6Bi—Mo1—O1C71.78 (11)O9T—K1—O26Wiii90.95 (10)
O8T—Mo1—O2C159.40 (13)O25Wiii—K1—O7T123.85 (10)
O7T—Mo1—O2C93.41 (14)O25Wiii—K1—O23T64.16 (10)
O4B—Mo1—O2C71.45 (11)O25Wiii—K1—O24Tv68.54 (9)
O6Bi—Mo1—O2C80.81 (12)O25Wiii—K1—O27W134.42 (10)
O1C—Mo1—O2C69.32 (10)O29W—K2—O17B146.21 (11)
O10T—Mo2—O9T105.43 (15)O29W—K2—O19Tvi138.11 (12)
O10T—Mo2—O4B98.82 (14)O29W—K2—O8Tvii67.46 (11)
O9T—Mo2—O4B104.08 (14)O29W—K2—O28W73.30 (11)
O10T—Mo2—O5B98.71 (14)O29W—K2—O30Wviii79.63 (15)
O9T—Mo2—O5B95.24 (14)O29W—K2—O10Tix63.81 (11)
O4B—Mo2—O5B149.31 (13)O29W—K2—O9Tix110.84 (11)
O10T—Mo2—O3C93.19 (13)O17B—K2—O9Tix94.22 (9)
O9T—Mo2—O3C157.66 (13)Cr1—O1C—Mo1103.93 (12)
O4B—Mo2—O3C84.68 (12)Cr1—O1C—Mo3i101.43 (13)
O5B—Mo2—O3C69.36 (11)Cr1—O2C—Mo2102.60 (13)
O10T—Mo2—O2C161.85 (13)Cr1—O2C—Mo1103.03 (12)
O9T—Mo2—O2C92.30 (13)Cr1—O3C—Mo3104.36 (13)
O4B—Mo2—O2C72.58 (12)Cr1—O3C—Mo2103.07 (12)
O5B—Mo2—O2C83.17 (12)Cr2—O13C—Mo5102.45 (11)
O3C—Mo2—O2C70.45 (10)Cr2—O13C—Mo6103.46 (12)
O11T—Mo3—O12T106.23 (15)Cr2—O14C—Mo6103.57 (12)
O11T—Mo3—O6B100.54 (14)Cr2—O14C—Mo4ii102.28 (12)
O12T—Mo3—O6B102.62 (14)Cr2—O15C—Mo5ii103.53 (12)
O11T—Mo3—O5B100.34 (14)Cr2—O15C—Mo4ii103.53 (12)
O12T—Mo3—O5B92.81 (13)H25A—O25W—H25B109.0
O6B—Mo3—O5B149.31 (12)H26A—O26W—H26B109.9
O11T—Mo3—O3C92.55 (13)H27A—O27W—H27B105 (7)
O12T—Mo3—O3C156.84 (12)H28A—O28W—H28B109.5
O6B—Mo3—O3C86.70 (12)H29A—O29W—H29B109.5
O5B—Mo3—O3C70.13 (11)H30A—O30W—H30B113.4
O11T—Mo3—O1Ci161.70 (13)
Symmetry codes: (i) x+1, y, z+2; (ii) x+1, y+1, z+1; (iii) x1, y, z; (iv) x+1, y, z+1; (v) x, y, z+1; (vi) x+2, y+1, z+1; (vii) x+1, y+1, z+2; (viii) x+1, y, z; (ix) x+1, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1C—H1···O22Tx0.73 (5)2.10 (5)2.796 (4)160 (5)
O5B—H5···O16Biv0.71 (8)1.79 (8)2.475 (4)163 (13)
O13C—H13···O12Tiv0.981.812.733 (4)155
O16B—H16···O5Biv0.83 (8)1.65 (8)2.475 (4)175 (11)
O25W—H25B···O21T0.972.222.844 (4)121
O25W—H25A···O20T0.971.862.828 (4)172
O26W—H26A···O4Bi0.972.072.755 (4)127
O27W—H27B···O32W0.75 (6)2.10 (6)2.842 (6)174 (7)
O28W—H28B···O31Wvii0.961.832.719 (5)153
O28W—H28A···O12Txi0.961.952.789 (4)144
O29W—H29A···O11Ti0.962.192.957 (5)136
O29W—H29B···O29Wxii0.962.502.968 (8)110
O29W—H29B···O10Ti0.962.012.928 (5)160
O30W—H30B···O32W0.962.512.953 (6)108
O30W—H30B···O7T0.962.573.069 (6)113
Symmetry codes: (i) x+1, y, z+2; (iv) x+1, y, z+1; (vii) x+1, y+1, z+2; (x) x, y, z+1; (xi) x, y+1, z; (xii) x+2, y+1, z+2.
 

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