[Na3(H2O)11][CrMo6O24H6]·2H2O, with an Anderson B-type heteropolyoxoanion

Yu, L.; Li, S.-Z.; Wang, J.-P.

doi:10.1107/S1600536806032910

[Na₃(H₂O)₁₁][CrMo₆O₂₄H₆]·2H₂O, with an Anderson B-type heteropolyoxoanion

The structural unit of the title compound, poly[[hexa-μ₂-hydroxohexa-μ₃-oxoundecaoxochromiumhexamolybdenum]-μ-oxo-[tetra-μ₂-aquahexaaquatrisodium]-μ-aqua], [CrMo₆Na₃O₁₈(OH)₆(H₂O)₁₁]·2H₂O, consists of an Anderson B-type heteropolyoxoanion [CrMo₆O₂₄H₆]³⁻ with approximate D_3h point symmetry, an [Na₃(H₂O)₁₁]³⁺ cation chain and two water molecules of crystallization. The [CrMo₆O₂₄H₆]³⁻ anions are connected via Mo—μ-O—Na bonds to the [Na₃(H₂O)₁₁]³⁺ groups to form one-dimensional double chains extending parallel to the c axis.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806032910/wm2036sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806032910/wm2036Isup2.hkl Contains datablock I

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (r-O) = 0.003 Å
H-atom completeness 82%
R factor = 0.036
wR factor = 0.100
Data-to-parameter ratio = 12.8

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O4     ..  O20     ..       2.71 Ang.

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97
PLAT030_ALERT_1_C _diffrn_reflns_number .LE.  _reflns_number_total          ?
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.98
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT430_ALERT_2_C Short Inter D...A Contact  O1     ..  O5      ..       2.88 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         18
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #         11
              H2 O

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:H32 Cr1 Mo6 Na3 O37
            Atom count from the _atom_site data:  H26 Cr1 Mo6 Na3 O37
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  Cr H32 Mo6 Na3 O37
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           Cr         2.00      2.00    0.00
           H         64.00     52.00   12.00
           Mo        12.00     12.00    0.00
           Na         6.00      6.00    0.00
           O         74.00     74.00    0.00
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   5 ALERT level G = General alerts; check

   8 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
   1 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Computing details top

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO (Rigaku, 2002); data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: WinGX (Farrugia, 1999); software used to prepare material for publication: SHELXL97.

poly[[hexa-µ₂hydroxo-hexa-µ₃oxo-undecaoxochromiumhexamolybdenum]- µ-oxo-[tetra-µ₂-aqua-hexaaqua-trisodium]-µ-aqua] top

Crystal data top

[CrMo₆Na₃O₁₈(OH)₆(H₂O)₁₁]·2H₂O	Z = 2
M_r = 1320.87	F(000) = 1274
Triclinic, P1	D_x = 2.700 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.968 (2) Å	Cell parameters from 250 reflections
b = 11.686 (2) Å	θ = 2.5–25°
c = 14.895 (3) Å	µ = 2.73 mm⁻¹
α = 72.10 (3)°	T = 293 K
β = 70.99 (3)°	Block, pink
γ = 66.90 (3)°	0.22 × 0.18 × 0.13 mm
V = 1624.5 (6) Å³

Data collection top

Rigaku R-AXIS-IV CCD diffractometer	5549 independent reflections
Radiation source: fine-focus sealed tube	4842 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.000
ω scans	θ_max = 25.0°, θ_min = 2.1°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = 0→13
T_min = 0.585, T_max = 0.718	k = −12→13
5549 measured reflections	l = −16→17

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.036	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.100	H-atom parameters constrained
S = 1.11	w = 1/[σ²(F_o²) + (0.0611P)² + 2.0611P] where P = (F_o² + 2F_c²)/3
5549 reflections	(Δ/σ)_max < 0.001
433 parameters	Δρ_max = 0.80 e Å⁻³
0 restraints	Δρ_min = −1.24 e Å⁻³

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
Na1	0.1531 (2)	0.3071 (2)	0.63090 (16)	0.0361 (5)
Na2	0.2932 (2)	0.45144 (19)	0.72921 (14)	0.0324 (5)
Na3	0.4128 (2)	0.5871 (2)	0.84970 (16)	0.0349 (5)
Cr1	0.20534 (7)	0.04650 (6)	0.27511 (5)	0.01332 (17)
Mo1	0.16431 (4)	−0.23626 (4)	0.37747 (3)	0.01890 (12)
Mo2	0.28254 (4)	−0.10799 (4)	0.48767 (3)	0.01829 (12)
Mo3	0.33556 (4)	0.17306 (4)	0.38031 (3)	0.01895 (12)
Mo4	0.26020 (4)	0.32380 (4)	0.16692 (3)	0.01744 (12)
Mo5	0.12527 (4)	0.20095 (4)	0.06258 (3)	0.01686 (12)
Mo6	0.08176 (4)	−0.07952 (4)	0.16658 (3)	0.01869 (12)
O1	0.0161 (4)	−0.2693 (4)	0.4163 (3)	0.0326 (8)
O2	0.2877 (4)	−0.3778 (3)	0.4045 (3)	0.0318 (8)
O3	0.4032 (4)	−0.2530 (3)	0.5108 (3)	0.0299 (8)
O4	0.2041 (4)	−0.0642 (4)	0.5980 (3)	0.0305 (8)
O5	0.2660 (4)	0.2280 (4)	0.4849 (3)	0.0359 (9)
O6	0.4883 (4)	0.1962 (4)	0.3367 (3)	0.0330 (9)
O7	0.4130 (3)	0.3487 (3)	0.1264 (3)	0.0287 (8)
O8	0.1420 (4)	0.4689 (3)	0.1400 (3)	0.0308 (8)
O9	0.0062 (4)	0.3463 (3)	0.0398 (3)	0.0302 (8)
O10	0.1973 (4)	0.1538 (3)	−0.0461 (2)	0.0278 (8)
O11	0.1538 (4)	−0.1232 (4)	0.0574 (3)	0.0347 (9)
O12	−0.0651 (4)	−0.1155 (4)	0.2116 (3)	0.0360 (9)
O13	0.2014 (3)	−0.2228 (3)	0.2410 (2)	0.0227 (7)
O14	0.1352 (3)	−0.1614 (3)	0.4862 (2)	0.0210 (7)
O15	0.4023 (3)	−0.0100 (3)	0.4269 (2)	0.0230 (7)
O16	0.2230 (3)	0.3154 (3)	0.3035 (2)	0.0217 (7)
O17	0.2763 (3)	0.2493 (3)	0.0621 (2)	0.0191 (7)
O18	0.0048 (3)	0.1026 (3)	0.1275 (2)	0.0207 (7)
O19	0.2440 (3)	0.0100 (3)	0.1462 (2)	0.0171 (7)
O20	0.0603 (3)	−0.0293 (3)	0.3094 (2)	0.0170 (7)
O21	0.3102 (3)	−0.1252 (3)	0.3345 (2)	0.0186 (7)
O22	0.1638 (3)	0.0839 (3)	0.4049 (2)	0.0184 (7)
O23	0.3546 (3)	0.1172 (3)	0.2399 (2)	0.0163 (6)
O24	0.1023 (3)	0.2191 (3)	0.2163 (2)	0.0168 (7)
O1W	0.0079 (4)	0.5282 (4)	0.5933 (3)	0.0419 (10)
H1WA	0.0061	0.5943	0.5359	0.063*
H1WB	−0.0815	0.5436	0.6356	0.063*
O2W	0.3319 (4)	0.1253 (4)	0.6782 (3)	0.0399 (10)
H2WA	0.2860	0.0744	0.6998	0.048*
H2WB	0.3938	0.1049	0.6284	0.060*
O3W	0.1126 (4)	0.3579 (3)	0.7841 (3)	0.0298 (8)
H3WA	0.1264	0.2925	0.8295	0.036*
H3WB	0.0340	0.4109	0.8002	0.036*
O4W	0.3319 (4)	0.4136 (4)	0.5722 (3)	0.0350 (9)
H4WA	0.3130	0.4815	0.5295	0.042*
H4WB	0.4116	0.3643	0.5528	0.042*
O5W	0.4376 (4)	0.2328 (4)	0.7588 (3)	0.0367 (9)
H5WA	0.4173	0.1900	0.7323	0.055*
H5WB	0.5205	0.2287	0.7346	0.055*
O6W	0.1307 (5)	0.6511 (4)	0.6719 (4)	0.0617 (15)
H6WA	0.0887	0.6378	0.6392	0.093*
H6WB	0.0738	0.6818	0.7200	0.093*
O7W	0.4639 (4)	0.5500 (4)	0.6876 (3)	0.0352 (9)
H7WA	0.4492	0.6184	0.6449	0.042*
H7WB	0.5442	0.5001	0.6707	0.042*
O8W	0.2494 (4)	0.4725 (4)	0.8910 (3)	0.0314 (8)
H8WA	0.2711	0.4014	0.9300	0.038*
H8WB	0.1677	0.5168	0.9123	0.038*
O9W	0.2657 (5)	0.7883 (5)	0.7947 (4)	0.0751 (19)
H9WA	0.2759	0.8431	0.8157	0.113*
H9WB	0.2851	0.8061	0.7330	0.113*
O10W	0.4229 (4)	0.6209 (4)	1.1258 (3)	0.0438 (10)
H10B	0.3476	0.6509	1.1643	0.053*
H10A	0.4520	0.6841	1.1044	0.066*
O11W	0.2729 (4)	0.6423 (4)	1.0017 (3)	0.0370 (9)
H11A	0.3123	0.6739	1.0237	0.056*
H11B	0.1967	0.6967	0.9930	0.056*
O12W	0.3841 (4)	0.9403 (4)	0.8640 (3)	0.0570 (13)
H12A	0.4396	0.9760	0.8225	0.086*
H12B	0.3115	0.9967	0.8854	0.086*
O13W	0.4845 (4)	0.8448 (4)	1.0698 (3)	0.0426 (10)
H13B	0.5692	0.8294	1.0623	0.064*
H13A	0.4463	0.9241	1.0518	0.064*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Na1	0.0298 (11)	0.0441 (13)	0.0392 (12)	−0.0022 (10)	−0.0123 (9)	−0.0237 (10)
Na2	0.0347 (12)	0.0336 (12)	0.0302 (11)	−0.0109 (10)	−0.0069 (9)	−0.0092 (9)
Na3	0.0302 (11)	0.0348 (12)	0.0424 (12)	−0.0059 (9)	−0.0102 (10)	−0.0161 (10)
Cr1	0.0132 (4)	0.0130 (4)	0.0120 (4)	−0.0034 (3)	−0.0021 (3)	−0.0023 (3)
Mo1	0.0202 (2)	0.0142 (2)	0.0186 (2)	−0.00559 (16)	−0.00237 (16)	−0.00068 (16)
Mo2	0.0172 (2)	0.0191 (2)	0.0135 (2)	−0.00248 (16)	−0.00324 (16)	−0.00137 (16)
Mo3	0.0192 (2)	0.0228 (2)	0.0169 (2)	−0.00765 (17)	−0.00340 (16)	−0.00676 (16)
Mo4	0.0188 (2)	0.0147 (2)	0.0175 (2)	−0.00632 (16)	−0.00254 (16)	−0.00221 (16)
Mo5	0.0174 (2)	0.0165 (2)	0.0144 (2)	−0.00383 (16)	−0.00440 (16)	−0.00157 (16)
Mo6	0.0204 (2)	0.0175 (2)	0.0202 (2)	−0.00712 (17)	−0.00436 (16)	−0.00580 (16)
O1	0.030 (2)	0.038 (2)	0.030 (2)	−0.0188 (17)	−0.0015 (16)	−0.0028 (16)
O2	0.033 (2)	0.0211 (19)	0.033 (2)	−0.0025 (15)	−0.0086 (16)	−0.0012 (15)
O3	0.0266 (19)	0.0246 (19)	0.0305 (19)	−0.0014 (15)	−0.0085 (16)	−0.0022 (15)
O4	0.0254 (19)	0.040 (2)	0.0211 (18)	−0.0062 (16)	−0.0022 (15)	−0.0082 (16)
O5	0.040 (2)	0.044 (2)	0.027 (2)	−0.0096 (18)	−0.0072 (17)	−0.0195 (18)
O6	0.027 (2)	0.042 (2)	0.036 (2)	−0.0173 (17)	−0.0053 (16)	−0.0088 (18)
O7	0.0243 (18)	0.033 (2)	0.0309 (19)	−0.0164 (15)	−0.0012 (15)	−0.0054 (16)
O8	0.030 (2)	0.0222 (19)	0.032 (2)	−0.0041 (15)	−0.0057 (16)	−0.0025 (15)
O9	0.0253 (18)	0.028 (2)	0.0295 (19)	−0.0023 (15)	−0.0099 (15)	0.0000 (15)
O10	0.033 (2)	0.0266 (19)	0.0196 (17)	−0.0061 (15)	−0.0054 (15)	−0.0046 (14)
O11	0.045 (2)	0.031 (2)	0.028 (2)	−0.0052 (17)	−0.0105 (17)	−0.0134 (17)
O12	0.031 (2)	0.037 (2)	0.047 (2)	−0.0192 (18)	−0.0082 (18)	−0.0079 (18)
O13	0.0264 (18)	0.0170 (17)	0.0225 (17)	−0.0037 (14)	−0.0029 (14)	−0.0086 (14)
O14	0.0214 (17)	0.0209 (17)	0.0179 (16)	−0.0074 (13)	−0.0016 (13)	−0.0027 (13)
O15	0.0196 (17)	0.0263 (18)	0.0233 (17)	−0.0070 (14)	−0.0065 (14)	−0.0046 (14)
O16	0.0245 (18)	0.0191 (17)	0.0206 (17)	−0.0045 (14)	−0.0032 (14)	−0.0085 (14)
O17	0.0182 (16)	0.0195 (17)	0.0183 (16)	−0.0070 (13)	−0.0012 (13)	−0.0041 (13)
O18	0.0185 (16)	0.0206 (17)	0.0231 (17)	−0.0056 (13)	−0.0051 (13)	−0.0053 (13)
O19	0.0164 (16)	0.0153 (16)	0.0163 (15)	−0.0040 (12)	−0.0024 (12)	−0.0018 (12)
O20	0.0169 (16)	0.0141 (16)	0.0172 (15)	−0.0036 (12)	−0.0020 (12)	−0.0037 (12)
O21	0.0187 (16)	0.0178 (17)	0.0156 (16)	−0.0035 (13)	−0.0033 (13)	−0.0023 (13)
O22	0.0184 (16)	0.0190 (17)	0.0146 (15)	−0.0040 (13)	−0.0036 (12)	−0.0022 (13)
O23	0.0156 (15)	0.0145 (16)	0.0180 (16)	−0.0049 (12)	−0.0030 (12)	−0.0034 (12)
O24	0.0150 (15)	0.0154 (16)	0.0165 (15)	−0.0039 (12)	−0.0021 (12)	−0.0018 (12)
O1W	0.043 (2)	0.030 (2)	0.038 (2)	0.0001 (18)	−0.0058 (19)	−0.0075 (18)
O2W	0.030 (2)	0.042 (2)	0.036 (2)	−0.0065 (18)	−0.0013 (17)	−0.0048 (19)
O3W	0.0266 (19)	0.029 (2)	0.0283 (19)	−0.0034 (15)	−0.0054 (15)	−0.0067 (16)
O4W	0.035 (2)	0.031 (2)	0.0257 (19)	0.0025 (16)	−0.0061 (16)	−0.0066 (16)
O5W	0.024 (2)	0.046 (2)	0.036 (2)	−0.0043 (17)	−0.0041 (16)	−0.0137 (18)
O6W	0.041 (3)	0.042 (3)	0.052 (3)	0.006 (2)	0.015 (2)	0.003 (2)
O7W	0.034 (2)	0.030 (2)	0.030 (2)	−0.0056 (16)	−0.0038 (16)	−0.0005 (16)
O8W	0.029 (2)	0.033 (2)	0.0284 (19)	−0.0090 (16)	−0.0031 (16)	−0.0077 (16)
O9W	0.037 (3)	0.070 (4)	0.054 (3)	0.005 (2)	0.006 (2)	0.028 (3)
O10W	0.039 (2)	0.041 (3)	0.051 (3)	−0.0037 (19)	−0.012 (2)	−0.021 (2)
O11W	0.045 (2)	0.035 (2)	0.036 (2)	−0.0142 (18)	−0.0085 (18)	−0.0137 (17)
O12W	0.036 (2)	0.049 (3)	0.059 (3)	−0.007 (2)	0.019 (2)	−0.017 (2)
O13W	0.025 (2)	0.053 (3)	0.039 (2)	−0.0025 (18)	0.0001 (17)	−0.015 (2)

Geometric parameters (Å, º) top

Na1—O2W	2.359 (5)	Mo4—O8	1.707 (4)
Na1—O5	2.387 (4)	Mo4—O16	1.919 (3)
Na1—O3W	2.392 (4)	Mo4—O17	1.940 (3)
Na1—O1ⁱ	2.412 (4)	Mo4—O23	2.289 (3)
Na1—O1W	2.447 (5)	Mo4—O24	2.305 (3)
Na1—O4W	2.508 (5)	Mo5—O9	1.703 (4)
Na1—O12ⁱ	2.905 (5)	Mo5—O10	1.710 (3)
Na1—Na2	3.517 (3)	Mo5—O18	1.918 (3)
Na1—H2WA	2.5917	Mo5—O17	1.946 (3)
Na2—O8W	2.371 (4)	Mo5—O24	2.288 (3)
Na2—O4W	2.385 (4)	Mo5—O19	2.301 (3)
Na2—O7W	2.391 (4)	Mo6—O12	1.696 (4)
Na2—O5W	2.412 (5)	Mo6—O11	1.699 (4)
Na2—O6W	2.419 (5)	Mo6—O18	1.931 (3)
Na2—O3W	2.425 (4)	Mo6—O13	1.959 (3)
Na2—Na3	3.518 (3)	Mo6—O20	2.293 (3)
Na3—O9W	2.346 (5)	Mo6—O19	2.295 (3)
Na3—O10Wⁱⁱ	2.395 (5)	O1—Na1ⁱ	2.412 (4)
Na3—O11W	2.399 (4)	O7—Na3ⁱⁱⁱ	2.464 (4)
Na3—O7W	2.429 (4)	O12—Na1ⁱ	2.905 (5)
Na3—O8W	2.458 (4)	O1W—H1WA	0.9600
Na3—O7ⁱⁱⁱ	2.464 (4)	O1W—H1WB	0.9600
Cr1—O23	1.968 (3)	O2W—H2WA	0.8500
Cr1—O20	1.969 (3)	O2W—H2WB	0.8500
Cr1—O19	1.970 (3)	O3W—H3WA	0.8500
Cr1—O24	1.971 (3)	O3W—H3WB	0.8500
Cr1—O21	1.973 (3)	O4W—H4WA	0.8500
Cr1—O22	1.981 (3)	O4W—H4WB	0.8499
Mo1—O1	1.694 (4)	O5W—H5WA	0.8501
Mo1—O2	1.709 (4)	O5W—H5WB	0.8500
Mo1—O13	1.907 (3)	O6W—H6WA	0.8500
Mo1—O14	1.951 (3)	O6W—H6WB	0.8500
Mo1—O21	2.260 (3)	O7W—H7WA	0.8499
Mo1—O20	2.294 (3)	O7W—H7WB	0.8500
Mo2—O3	1.708 (3)	O8W—H8WA	0.8500
Mo2—O4	1.719 (4)	O8W—H8WB	0.8500
Mo2—O15	1.903 (3)	O9W—H9WA	0.8500
Mo2—O14	1.956 (3)	O9W—H9WB	0.8499
Mo2—O21	2.263 (3)	O10W—Na3ⁱⁱ	2.395 (5)
Mo2—O22	2.302 (3)	O10W—H10B	0.8500
Mo3—O6	1.685 (3)	O10W—H10A	0.8501
Mo3—O5	1.696 (4)	O11W—H11A	0.8500
Mo3—O16	1.934 (3)	O11W—H11B	0.8501
Mo3—O15	1.945 (3)	O12W—H12A	0.8500
Mo3—O23	2.301 (3)	O12W—H12B	0.8500
Mo3—O22	2.372 (3)	O13W—H13B	0.8499
Mo4—O7	1.695 (3)	O13W—H13A	0.8500

O2W—Na1—O5	77.40 (15)	O6—Mo3—O15	97.43 (17)
O2W—Na1—O3W	86.99 (16)	O5—Mo3—O15	102.51 (18)
O5—Na1—O3W	161.69 (16)	O16—Mo3—O15	147.94 (13)
O2W—Na1—O1ⁱ	116.08 (17)	O6—Mo3—O23	91.52 (15)
O5—Na1—O1ⁱ	73.63 (14)	O5—Mo3—O23	160.94 (15)
O3W—Na1—O1ⁱ	122.65 (15)	O16—Mo3—O23	71.33 (12)
O2W—Na1—O1W	161.95 (18)	O15—Mo3—O23	83.34 (13)
O5—Na1—O1W	109.72 (17)	O6—Mo3—O22	158.67 (15)
O3W—Na1—O1W	82.65 (15)	O5—Mo3—O22	94.25 (16)
O1ⁱ—Na1—O1W	81.97 (16)	O16—Mo3—O22	83.02 (13)
O2W—Na1—O4W	83.80 (15)	O15—Mo3—O22	69.91 (12)
O5—Na1—O4W	82.81 (15)	O23—Mo3—O22	70.48 (11)
O3W—Na1—O4W	86.08 (14)	O7—Mo4—O8	105.73 (18)
O1ⁱ—Na1—O4W	143.95 (16)	O7—Mo4—O16	101.71 (16)
O1W—Na1—O4W	80.79 (16)	O8—Mo4—O16	97.16 (16)
O2W—Na1—O12ⁱ	65.36 (14)	O7—Mo4—O17	97.58 (15)
O5—Na1—O12ⁱ	111.21 (15)	O8—Mo4—O17	100.24 (16)
O3W—Na1—O12ⁱ	69.63 (13)	O16—Mo4—O17	149.37 (14)
O1ⁱ—Na1—O12ⁱ	74.30 (13)	O7—Mo4—O23	92.34 (15)
O1W—Na1—O12ⁱ	123.60 (16)	O8—Mo4—O23	160.61 (15)
O4W—Na1—O12ⁱ	140.89 (14)	O16—Mo4—O23	71.83 (12)
O2W—Na1—Na2	81.86 (13)	O17—Mo4—O23	83.90 (12)
O5—Na1—Na2	123.38 (13)	O7—Mo4—O24	159.88 (15)
O3W—Na1—Na2	43.47 (10)	O8—Mo4—O24	92.97 (15)
O1ⁱ—Na1—Na2	159.02 (13)	O16—Mo4—O24	82.82 (13)
O1W—Na1—Na2	80.45 (13)	O17—Mo4—O24	71.33 (12)
O4W—Na1—Na2	42.67 (9)	O23—Mo4—O24	70.24 (11)
O12ⁱ—Na1—Na2	106.43 (10)	O9—Mo5—O10	105.87 (17)
O2W—Na1—H2WA	19.0	O9—Mo5—O18	98.58 (16)
O5—Na1—H2WA	79.4	O10—Mo5—O18	102.21 (16)
O3W—Na1—H2WA	89.0	O9—Mo5—O17	100.96 (16)
O1ⁱ—Na1—H2WA	99.2	O10—Mo5—O17	95.68 (16)
O1W—Na1—H2WA	170.7	O18—Mo5—O17	148.69 (13)
O4W—Na1—H2WA	102.8	O9—Mo5—O24	92.01 (15)
O12ⁱ—Na1—H2WA	48.8	O10—Mo5—O24	159.97 (14)
Na2—Na1—H2WA	96.3	O18—Mo5—O24	83.52 (13)
O8W—Na2—O4W	174.97 (16)	O17—Mo5—O24	71.62 (12)
O8W—Na2—O7W	87.68 (14)	O9—Mo5—O19	160.49 (15)
O4W—Na2—O7W	96.59 (15)	O10—Mo5—O19	92.88 (14)
O8W—Na2—O5W	93.80 (15)	O18—Mo5—O19	71.65 (12)
O4W—Na2—O5W	82.99 (14)	O17—Mo5—O19	82.08 (13)
O7W—Na2—O5W	98.16 (15)	O24—Mo5—O19	70.48 (11)
O8W—Na2—O6W	98.43 (18)	O12—Mo6—O11	106.7 (2)
O4W—Na2—O6W	84.17 (17)	O12—Mo6—O18	98.72 (17)
O7W—Na2—O6W	91.20 (17)	O11—Mo6—O18	101.47 (16)
O5W—Na2—O6W	164.89 (19)	O12—Mo6—O13	100.56 (17)
O8W—Na2—O3W	87.65 (14)	O11—Mo6—O13	97.60 (16)
O4W—Na2—O3W	88.14 (15)	O18—Mo6—O13	147.61 (14)
O7W—Na2—O3W	175.16 (15)	O12—Mo6—O20	91.41 (16)
O5W—Na2—O3W	83.43 (15)	O11—Mo6—O20	160.44 (15)
O6W—Na2—O3W	88.22 (16)	O18—Mo6—O20	82.65 (13)
O8W—Na2—Na1	130.16 (12)	O13—Mo6—O20	71.14 (12)
O4W—Na2—Na1	45.45 (11)	O12—Mo6—O19	160.23 (16)
O7W—Na2—Na1	142.02 (12)	O11—Mo6—O19	92.37 (16)
O5W—Na2—Na1	78.65 (12)	O18—Mo6—O19	71.57 (12)
O6W—Na2—Na1	86.66 (16)	O13—Mo6—O19	81.78 (13)
O3W—Na2—Na1	42.75 (10)	O20—Mo6—O19	70.61 (11)
O8W—Na2—Na3	44.23 (10)	Mo1—O1—Na1ⁱ	145.6 (2)
O4W—Na2—Na3	140.14 (13)	Mo3—O5—Na1	176.1 (2)
O7W—Na2—Na3	43.57 (10)	Mo4—O7—Na3ⁱⁱⁱ	150.3 (2)
O5W—Na2—Na3	100.81 (12)	Mo6—O12—Na1ⁱ	134.2 (2)
O6W—Na2—Na3	94.15 (16)	Mo1—O13—Mo6	118.66 (16)
O3W—Na2—Na3	131.69 (12)	Mo1—O14—Mo2	116.58 (16)
Na1—Na2—Na3	174.39 (8)	Mo2—O15—Mo3	122.14 (17)
O9W—Na3—O10Wⁱⁱ	169.2 (2)	Mo4—O16—Mo3	118.95 (16)
O9W—Na3—O11W	79.70 (18)	Mo4—O17—Mo5	118.97 (16)
O10Wⁱⁱ—Na3—O11W	111.00 (18)	Mo5—O18—Mo6	118.98 (16)
O9W—Na3—O7W	86.69 (19)	Cr1—O19—Mo6	102.31 (13)
O10Wⁱⁱ—Na3—O7W	82.63 (16)	Cr1—O19—Mo5	102.30 (13)
O11W—Na3—O7W	156.96 (16)	Mo6—O19—Mo5	92.35 (11)
O9W—Na3—O8W	96.27 (19)	Cr1—O20—Mo6	102.45 (13)
O10Wⁱⁱ—Na3—O8W	84.62 (16)	Cr1—O20—Mo1	102.34 (13)
O11W—Na3—O8W	78.30 (14)	Mo6—O20—Mo1	92.93 (11)
O7W—Na3—O8W	84.88 (14)	Cr1—O21—Mo1	103.42 (14)
O9W—Na3—O7ⁱⁱⁱ	99.5 (2)	Cr1—O21—Mo2	103.05 (14)
O10Wⁱⁱ—Na3—O7ⁱⁱⁱ	83.07 (15)	Mo1—O21—Mo2	94.59 (12)
O11W—Na3—O7ⁱⁱⁱ	87.94 (14)	Cr1—O22—Mo2	101.44 (13)
O7W—Na3—O7ⁱⁱⁱ	112.76 (15)	Cr1—O22—Mo3	100.25 (13)
O8W—Na3—O7ⁱⁱⁱ	156.87 (16)	Mo2—O22—Mo3	92.20 (11)
O9W—Na3—Na2	89.66 (19)	Cr1—O23—Mo4	103.06 (13)
O10Wⁱⁱ—Na3—Na2	83.73 (13)	Cr1—O23—Mo3	103.12 (13)
O11W—Na3—Na2	118.13 (12)	Mo4—O23—Mo3	92.62 (11)
O7W—Na3—Na2	42.71 (10)	Cr1—O24—Mo5	102.74 (13)
O8W—Na3—Na2	42.28 (10)	Cr1—O24—Mo4	102.40 (13)
O7ⁱⁱⁱ—Na3—Na2	153.65 (12)	Mo5—O24—Mo4	93.57 (11)
O23—Cr1—O20	178.21 (12)	Na1—O1W—H1WA	134.3
O23—Cr1—O19	94.46 (13)	Na1—O1W—H1WB	112.3
O20—Cr1—O19	84.62 (13)	H1WA—O1W—H1WB	109.5
O23—Cr1—O24	84.30 (13)	Na1—O2W—H2WA	96.1
O20—Cr1—O24	97.13 (13)	Na1—O2W—H2WB	109.8
O19—Cr1—O24	84.42 (13)	H2WA—O2W—H2WB	109.8
O23—Cr1—O21	94.91 (14)	Na1—O3W—Na2	93.79 (14)
O20—Cr1—O21	83.67 (13)	Na1—O3W—H3WA	112.9
O19—Cr1—O21	96.05 (13)	Na2—O3W—H3WA	112.9
O24—Cr1—O21	179.11 (13)	Na1—O3W—H3WB	113.0
O23—Cr1—O22	86.15 (13)	Na2—O3W—H3WB	113.0
O20—Cr1—O22	94.78 (14)	H3WA—O3W—H3WB	110.4
O19—Cr1—O22	179.22 (12)	Na2—O4W—Na1	91.87 (14)
O24—Cr1—O22	95.16 (14)	Na2—O4W—H4WA	113.3
O21—Cr1—O22	84.38 (13)	Na1—O4W—H4WA	113.3
O1—Mo1—O2	105.63 (18)	Na2—O4W—H4WB	113.3
O1—Mo1—O13	101.38 (17)	Na1—O4W—H4WB	113.3
O2—Mo1—O13	98.80 (16)	H4WA—O4W—H4WB	110.7
O1—Mo1—O14	96.01 (16)	Na2—O5W—H5WA	109.1
O2—Mo1—O14	100.35 (16)	Na2—O5W—H5WB	109.5
O13—Mo1—O14	149.53 (14)	H5WA—O5W—H5WB	109.5
O1—Mo1—O21	159.96 (15)	Na2—O6W—H6WA	108.8
O2—Mo1—O21	92.58 (15)	Na2—O6W—H6WB	109.7
O13—Mo1—O21	83.64 (14)	H6WA—O6W—H6WB	109.5
O14—Mo1—O21	72.06 (12)	Na2—O7W—Na3	93.73 (15)
O1—Mo1—O20	92.39 (16)	Na2—O7W—H7WA	113.0
O2—Mo1—O20	161.23 (15)	Na3—O7W—H7WA	112.9
O13—Mo1—O20	71.95 (13)	Na2—O7W—H7WB	113.0
O14—Mo1—O20	82.58 (13)	Na3—O7W—H7WB	113.0
O21—Mo1—O20	70.53 (11)	H7WA—O7W—H7WB	110.4
O3—Mo2—O4	105.62 (18)	Na2—O8W—Na3	93.49 (15)
O3—Mo2—O15	97.83 (16)	Na2—O8W—H8WA	112.9
O4—Mo2—O15	103.44 (17)	Na3—O8W—H8WA	112.9
O3—Mo2—O14	100.06 (16)	Na2—O8W—H8WB	113.1
O4—Mo2—O14	94.38 (16)	Na3—O8W—H8WB	113.1
O15—Mo2—O14	150.26 (13)	H8WA—O8W—H8WB	110.5
O3—Mo2—O21	91.95 (15)	Na3—O9W—H9WA	108.6
O4—Mo2—O21	159.55 (15)	Na3—O9W—H9WB	109.7
O15—Mo2—O21	83.97 (13)	H9WA—O9W—H9WB	109.5
O14—Mo2—O21	71.90 (12)	Na3ⁱⁱ—O10W—H10B	127.8
O3—Mo2—O22	160.85 (14)	Na3ⁱⁱ—O10W—H10A	117.7
O4—Mo2—O22	92.76 (15)	H10B—O10W—H10A	101.3
O15—Mo2—O22	72.18 (13)	Na3—O11W—H11A	109.5
O14—Mo2—O22	83.49 (13)	Na3—O11W—H11B	109.2
O21—Mo2—O22	71.12 (11)	H11A—O11W—H11B	109.5
O6—Mo3—O5	105.48 (19)	H12A—O12W—H12B	109.5
O6—Mo3—O16	102.45 (17)	H13B—O13W—H13A	109.5
O5—Mo3—O16	96.15 (17)

Symmetry codes: (i) −x, −y, −z+1; (ii) −x+1, −y+1, −z+2; (iii) −x+1, −y+1, −z+1.

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