A new chain-like polyoxometallate based on B-Anderson-type building blocks and rare earth metal ion linkers

In the title polymer chain, catena-poly[[[hexa-μ₂-hydroxido-hexa-μ₃-oxido-deca­oxido-chromium(III)hexa­molybdenum(IV)]-μ₂-oxido-[hepta­aqua­neodymium(III)]- μ₂-oxido] tetra­hydrate], [NdCrMo₆O₁₈(OH)₆(H₂O)₇]·4H₂O, the Nd atom has a tricapped trigonal-prismatic environment, being coordin­ated by two terminal O atoms from different [Cr(OH)₆Mo₆O₁₈]³⁻ units, and by seven water mol­ecules. In the crystal structure, hydrogen bonds result in the formation of a three-dimensional network and may be effective in the stabilization of the structure.

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean [sigma](r-O) = 0.004 Å
• R factor = 0.022
• wR factor = 0.059
• Data-to-parameter ratio = 13.2

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.95 Ratio
PLAT416_ALERT_2_B Short Intra D-H..H-D       H12    ..  H13     ..       1.84 Ang.
PLAT417_ALERT_2_B Short Inter D-H..H-D       H8     ..  H21     ..       1.68 Ang.
PLAT417_ALERT_2_B Short Inter D-H..H-D       H8     ..  H22     ..       1.52 Ang.
PLAT420_ALERT_2_B D-H Without Acceptor       O2W    -   H3     ...          ?
PLAT420_ALERT_2_B D-H Without Acceptor       O3W    -   H5     ...          ?
PLAT420_ALERT_2_B D-H Without Acceptor       O4W    -   H7     ...          ?
PLAT420_ALERT_2_B D-H Without Acceptor       O5W    -   H10    ...          ?

Alert level C
STRVA01_ALERT_4_C           Flack test results are ambiguous.
           From the CIF: _refine_ls_abs_structure_Flack    0.531
           From the CIF: _refine_ls_abs_structure_Flack_su    0.012
PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero .......       0.53
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.94
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Nd1

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.936
            Tmax scaled      0.544 Tmin scaled      0.488
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           25.00
           From the CIF: _reflns_number_total               5150
           Count of symmetry unique reflns         2655
           Completeness (_total/calc)            193.97%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2495
           Fraction of Friedel pairs measured     0.940
           Are heavy atom types Z>Si present        yes

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  10 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

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Computing details

Data collection: PROCESS (Higashi, 1996); cell refinement: PROCESS; data reduction: PROCESS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: TEXSAN (Molecular Structure Corporation, 1989); software used to prepare material for publication: TEXSAN.

catena-poly[[[hexa-µ₂-hydroxido-hexa-µ₃-oxido-decaoxido- chromium(III)hexamolybdenum(IV)]-µ₂-oxido-[heptaaquaneodymium(III)]- µ₂-oxido] tetrahydrate]

Crystal data

[NdCrMo6O18(OH)6(H2O)7]·4H2O	F(000) = 2552
Mr = 1354.06	Dx = 3.058 Mg m^−3
Orthorhombic, Pca21	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2ac	Cell parameters from 250 reflections
a = 11.8655 (10) Å	θ = 2.5–25°
b = 10.9961 (9) Å	µ = 4.68 mm^−1
c = 22.5449 (18) Å	T = 294 K
V = 2941.5 (4) Å^3	Block, pink
Z = 4	0.16 × 0.14 × 0.13 mm

Data collection

Rigaku R-AXIS IV diffractometer	5150 independent reflections
Radiation source: fine-focus sealed tube	5000 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.021
Osillation frames scans	θmax = 25.0°, θmin = 2.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −14→14
Tmin = 0.521, Tmax = 0.581	k = −13→12
20142 measured reflections	l = −26→26

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.022	H-atom parameters constrained
wR(F^2) = 0.059	w = 1/[σ^2(Fo^2) + (0.0295P)^2 + 11.7153P] where P = (Fo^2 + 2Fc^2)/3
S = 1.08	(Δ/σ)max = 0.019
5150 reflections	Δρmax = 1.28 e Å^−3
389 parameters	Δρmin = −0.85 e Å^−3
1 restraint	Absolute structure: Flack (1983)
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.531 (12)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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 (Ų)

	x	y	z	Uiso*/Ueq
Nd1	0.67039 (2)	0.25088 (3)	0.12555 (2)	0.01553 (8)
Cr1	0.69954 (7)	0.75609 (7)	0.32689 (5)	0.01080 (17)
Mo1	0.69792 (5)	0.76522 (5)	0.47468 (2)	0.01571 (12)
Mo2	0.80181 (4)	0.99855 (5)	0.39732 (2)	0.01445 (12)
Mo3	0.79644 (4)	0.99607 (4)	0.24906 (2)	0.01348 (12)
Mo4	0.69542 (4)	0.74902 (4)	0.17966 (2)	0.01422 (12)
Mo5	0.59885 (4)	0.51226 (4)	0.25644 (2)	0.01391 (12)
Mo6	0.59689 (4)	0.52215 (5)	0.40462 (2)	0.01521 (12)
O1	0.7740 (5)	0.6701 (5)	0.5176 (2)	0.0283 (11)
O2	0.6304 (5)	0.8640 (5)	0.5215 (2)	0.0288 (11)
O3	0.7316 (4)	1.1017 (4)	0.4400 (2)	0.0267 (11)
O4	0.9370 (4)	1.0518 (4)	0.3921 (2)	0.0265 (11)
O5	0.9326 (4)	1.0474 (4)	0.2511 (2)	0.0225 (10)
O6	0.7254 (4)	1.0898 (4)	0.2008 (2)	0.0236 (11)
O7	0.6245 (4)	0.8378 (4)	0.1305 (2)	0.0265 (10)
O8	0.7742 (4)	0.6491 (4)	0.1392 (2)	0.0241 (11)
O9	0.6686 (4)	0.4166 (4)	0.2086 (2)	0.0199 (10)
O10	0.4636 (4)	0.4588 (4)	0.2593 (2)	0.0217 (10)
O11	0.4645 (4)	0.4630 (5)	0.4019 (2)	0.0313 (11)
O12	0.6707 (5)	0.4325 (4)	0.4522 (2)	0.0297 (12)
O13	0.8259 (4)	0.8675 (4)	0.4502 (2)	0.0188 (10)
O14	0.7397 (3)	1.0616 (3)	0.3224 (2)	0.0172 (8)
O15	0.8200 (4)	0.8577 (4)	0.2001 (2)	0.0182 (10)
O16	0.5727 (4)	0.6484 (4)	0.2050 (2)	0.0177 (9)
O17	0.6560 (3)	0.4496 (3)	0.3310 (2)	0.0176 (8)
O18	0.5710 (4)	0.6642 (4)	0.4531 (2)	0.0189 (10)
O19	0.7498 (3)	0.6515 (4)	0.39256 (18)	0.0145 (9)
O20	0.6498 (3)	0.8691 (4)	0.39014 (19)	0.0135 (9)
O21	0.8351 (3)	0.8602 (3)	0.3249 (2)	0.0137 (8)
O22	0.6483 (3)	0.8616 (4)	0.2607 (2)	0.0140 (9)
O23	0.7492 (4)	0.6448 (4)	0.26395 (19)	0.0135 (9)
O24	0.5640 (3)	0.6533 (3)	0.3285 (2)	0.0134 (7)
O1W	0.5291 (4)	0.2177 (5)	0.2009 (2)	0.0313 (12)
H1	0.4923	0.1533	0.1929	0.038*
H2	0.4843	0.2780	0.2017	0.038*
O2W	0.5549 (5)	0.0713 (5)	0.0962 (3)	0.0454 (15)
H3	0.5835	0.0386	0.0656	0.055*
H4	0.4880	0.0942	0.0886	0.055*
O3W	0.8615 (5)	0.2932 (6)	0.1621 (3)	0.0529 (18)
H5	0.9086	0.2486	0.1438	0.063*
H6	0.8643	0.2779	0.1990	0.063*
O4W	0.5015 (4)	0.3707 (5)	0.1021 (2)	0.0317 (12)
H7	0.4700	0.3411	0.0715	0.038*
H8	0.5204	0.4440	0.0954	0.038*
O5W	0.8041 (5)	0.1072 (6)	0.0752 (2)	0.0466 (16)
H9	0.7688	0.0667	0.0490	0.056*
H10	0.8317	0.0589	0.1008	0.056*
O6W	0.6311 (4)	0.2577 (4)	0.0133 (2)	0.0291 (11)
H11	0.6389	0.1866	−0.0010	0.035*
H12	0.6775	0.3057	−0.0033	0.035*
O7W	0.7442 (6)	0.4341 (4)	0.0758 (2)	0.0313 (10)
H13	0.7592	0.4177	0.0398	0.038*
H14	0.8038	0.4577	0.0933	0.038*
O8W	0.5514 (3)	0.2104 (4)	0.3266 (3)	0.0356 (11)
H15	0.5763	0.1413	0.3372	0.043*
H16	0.5718	0.2249	0.2911	0.043*
O9W	0.8478 (4)	0.2990 (4)	0.3118 (3)	0.052 (2)
H17	0.8010	0.2407	0.3139	0.062*
H18	0.9120	0.2750	0.3237	0.062*
O10W	0.0345 (5)	0.8147 (8)	0.4967 (3)	0.072 (2)
H20	−0.0008	0.8616	0.5203	0.087*
H19	0.0975	0.7952	0.5120	0.087*
O11W	0.5053 (6)	0.6009 (6)	0.0606 (3)	0.0537 (17)
H21	0.5579	0.5896	0.0856	0.064*
H22	0.4823	0.5326	0.0478	0.064*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Nd1	0.01420 (13)	0.01403 (14)	0.01835 (15)	0.00006 (12)	−0.00075 (14)	0.00086 (12)
Cr1	0.0080 (4)	0.0107 (4)	0.0137 (4)	−0.0003 (3)	0.0005 (4)	0.0001 (4)
Mo1	0.0152 (3)	0.0182 (3)	0.0138 (3)	−0.0020 (2)	0.0011 (2)	−0.0003 (2)
Mo2	0.0108 (3)	0.0152 (3)	0.0174 (3)	−0.0041 (2)	0.0002 (2)	−0.0025 (2)
Mo3	0.0116 (3)	0.0117 (2)	0.0172 (3)	−0.00075 (19)	0.0007 (2)	0.0022 (2)
Mo4	0.0141 (3)	0.0148 (3)	0.0137 (3)	−0.0007 (2)	−0.00089 (19)	0.00007 (19)
Mo5	0.0120 (3)	0.0119 (2)	0.0179 (3)	−0.00179 (19)	−0.0006 (2)	−0.0020 (2)
Mo6	0.0149 (3)	0.0136 (2)	0.0171 (3)	−0.0032 (2)	0.0016 (2)	0.0014 (2)
O1	0.031 (3)	0.032 (3)	0.021 (3)	−0.002 (2)	−0.003 (2)	0.003 (2)
O2	0.028 (3)	0.030 (3)	0.028 (3)	−0.004 (2)	0.010 (2)	−0.006 (2)
O3	0.031 (3)	0.024 (3)	0.025 (3)	−0.003 (2)	0.001 (2)	−0.010 (2)
O4	0.019 (2)	0.028 (3)	0.032 (3)	−0.014 (2)	−0.004 (2)	0.005 (2)
O5	0.014 (2)	0.024 (2)	0.030 (3)	−0.0101 (18)	0.003 (2)	−0.001 (2)
O6	0.021 (3)	0.021 (2)	0.029 (3)	0.008 (2)	0.001 (2)	0.005 (2)
O7	0.027 (2)	0.025 (2)	0.027 (3)	0.001 (2)	−0.003 (2)	0.005 (2)
O8	0.024 (3)	0.025 (2)	0.023 (3)	−0.002 (2)	0.0044 (19)	−0.0073 (19)
O9	0.021 (2)	0.017 (2)	0.022 (2)	0.0005 (19)	−0.0013 (19)	−0.0033 (18)
O10	0.011 (2)	0.019 (2)	0.035 (3)	−0.0081 (18)	0.002 (2)	−0.003 (2)
O11	0.024 (3)	0.034 (3)	0.036 (3)	−0.009 (2)	0.008 (3)	−0.001 (2)
O12	0.034 (3)	0.024 (3)	0.030 (3)	−0.001 (2)	−0.005 (2)	0.009 (2)
O13	0.012 (2)	0.025 (2)	0.019 (2)	−0.0033 (19)	−0.0059 (18)	0.0030 (19)
O14	0.0146 (18)	0.0128 (18)	0.024 (2)	0.0027 (15)	−0.001 (2)	−0.0007 (19)
O15	0.012 (2)	0.023 (2)	0.019 (2)	−0.0051 (19)	0.0002 (18)	0.0008 (18)
O16	0.012 (2)	0.023 (2)	0.019 (2)	−0.0032 (19)	0.0004 (19)	−0.0002 (18)
O17	0.018 (2)	0.0118 (18)	0.023 (2)	−0.0005 (15)	−0.002 (2)	0.0002 (19)
O18	0.018 (2)	0.019 (2)	0.020 (2)	−0.0003 (19)	0.0082 (19)	−0.0030 (18)
O19	0.012 (2)	0.016 (2)	0.015 (2)	−0.0018 (17)	0.0005 (19)	−0.0004 (17)
O20	0.011 (2)	0.013 (2)	0.017 (2)	−0.0005 (16)	−0.0001 (17)	−0.0037 (17)
O21	0.0105 (17)	0.0126 (19)	0.018 (2)	−0.0011 (14)	−0.003 (2)	0.0005 (19)
O22	0.011 (2)	0.0122 (19)	0.019 (2)	0.0007 (16)	−0.0017 (18)	−0.0009 (17)
O23	0.012 (2)	0.0115 (19)	0.017 (2)	0.0007 (16)	0.0001 (17)	−0.0010 (16)
O24	0.0100 (17)	0.0132 (18)	0.0171 (19)	−0.0027 (14)	0.001 (2)	−0.002 (2)
O1W	0.025 (3)	0.028 (3)	0.041 (3)	−0.007 (2)	0.006 (2)	0.001 (2)
O2W	0.048 (4)	0.029 (3)	0.059 (4)	−0.014 (3)	−0.031 (3)	0.000 (3)
O3W	0.028 (3)	0.045 (4)	0.086 (5)	0.001 (3)	−0.021 (3)	−0.002 (3)
O4W	0.024 (3)	0.032 (3)	0.040 (3)	0.007 (2)	0.002 (2)	0.008 (2)
O5W	0.049 (4)	0.059 (4)	0.032 (3)	0.026 (3)	0.000 (3)	−0.013 (3)
O6W	0.029 (3)	0.034 (3)	0.024 (3)	−0.002 (2)	−0.001 (2)	−0.008 (2)
O7W	0.045 (3)	0.023 (2)	0.026 (2)	−0.012 (3)	0.002 (2)	−0.004 (2)
O8W	0.019 (2)	0.021 (2)	0.067 (3)	0.0036 (18)	0.001 (3)	0.005 (3)
O9W	0.011 (2)	0.020 (3)	0.124 (7)	0.003 (2)	0.002 (3)	0.002 (3)
O10W	0.029 (3)	0.122 (7)	0.066 (5)	0.004 (4)	−0.005 (3)	0.037 (5)
O11W	0.051 (4)	0.046 (4)	0.064 (4)	−0.010 (3)	−0.006 (3)	0.012 (3)

Geometric parameters (Å, º)

Nd1—O1W	2.415 (5)	Mo4—O22	2.277 (4)
Nd1—O3W	2.457 (5)	Mo4—O23	2.309 (4)
Nd1—O4W	2.456 (5)	Mo5—O10	1.711 (4)
Nd1—O7W	2.466 (5)	Mo5—O9	1.719 (5)
Nd1—O2W	2.494 (5)	Mo5—O16	1.919 (5)
Nd1—O5W	2.510 (5)	Mo5—O17	1.939 (5)
Nd1—O6^i	2.537 (5)	Mo5—O24	2.285 (4)
Nd1—O6W	2.574 (5)	Mo5—O23	2.310 (4)
Nd1—O9	2.613 (5)	Mo6—O12	1.700 (5)
Cr1—O23	1.964 (4)	Mo6—O11	1.702 (5)
Cr1—O24	1.966 (3)	Mo6—O18	1.932 (4)
Cr1—O19	1.967 (4)	Mo6—O17	1.971 (5)
Cr1—O21	1.975 (3)	Mo6—O24	2.275 (4)
Cr1—O20	1.981 (4)	Mo6—O19	2.321 (4)
Cr1—O22	1.985 (4)	O6—Nd1^ii	2.537 (5)
Mo1—O1	1.687 (5)	O1W—H1	0.8513
Mo1—O2	1.714 (5)	O1W—H2	0.8501
Mo1—O18	1.933 (5)	O2W—H3	0.8488
Mo1—O13	1.969 (5)	O2W—H4	0.8502
Mo1—O20	2.294 (4)	O3W—H5	0.8503
Mo1—O19	2.317 (4)	O3W—H6	0.8494
Mo2—O3	1.704 (5)	O4W—H7	0.8495
Mo2—O4	1.712 (5)	O4W—H8	0.8501
Mo2—O13	1.892 (5)	O5W—H9	0.8501
Mo2—O14	1.969 (5)	O5W—H10	0.8500
Mo2—O21	2.267 (4)	O6W—H11	0.8507
Mo2—O20	2.304 (4)	O6W—H12	0.8496
Mo3—O5	1.712 (4)	O7W—H13	0.8502
Mo3—O6	1.720 (5)	O7W—H14	0.8504
Mo3—O15	1.901 (5)	O8W—H15	0.8496
Mo3—O14	1.925 (5)	O8W—H16	0.8512
Mo3—O22	2.311 (4)	O9W—H17	0.8495
Mo3—O21	2.316 (4)	O9W—H18	0.8497
Mo4—O7	1.700 (5)	O10W—H20	0.8511
Mo4—O8	1.707 (5)	O10W—H19	0.8508
Mo4—O16	1.915 (5)	O11W—H21	0.8501
Mo4—O15	1.956 (5)	O11W—H22	0.8496
O1W—Nd1—O3W	115.7 (2)	O7—Mo4—O8	107.0 (3)
O1W—Nd1—O4W	70.51 (18)	O7—Mo4—O16	98.6 (2)
O3W—Nd1—O4W	136.36 (19)	O8—Mo4—O16	101.8 (2)
O1W—Nd1—O7W	133.62 (18)	O7—Mo4—O15	100.2 (2)
O3W—Nd1—O7W	70.8 (2)	O8—Mo4—O15	96.0 (2)
O4W—Nd1—O7W	75.72 (19)	O16—Mo4—O15	149.0 (2)
O1W—Nd1—O2W	71.7 (2)	O7—Mo4—O22	95.1 (2)
O3W—Nd1—O2W	138.3 (2)	O8—Mo4—O22	155.97 (19)
O4W—Nd1—O2W	85.37 (18)	O16—Mo4—O22	83.59 (17)
O7W—Nd1—O2W	136.2 (2)	O15—Mo4—O22	70.38 (17)
O1W—Nd1—O5W	131.4 (2)	O7—Mo4—O23	163.4 (2)
O3W—Nd1—O5W	71.8 (2)	O8—Mo4—O23	88.23 (19)
O4W—Nd1—O5W	139.12 (18)	O16—Mo4—O23	71.22 (18)
O7W—Nd1—O5W	94.8 (2)	O15—Mo4—O23	84.29 (17)
O2W—Nd1—O5W	74.3 (2)	O22—Mo4—O23	71.16 (15)
O1W—Nd1—O6^i	66.6 (2)	O10—Mo5—O9	105.4 (2)
O3W—Nd1—O6^i	70.8 (3)	O10—Mo5—O16	98.0 (2)
O4W—Nd1—O6^i	136.7 (2)	O9—Mo5—O16	100.1 (2)
O7W—Nd1—O6^i	141.5 (3)	O10—Mo5—O17	100.0 (2)
O2W—Nd1—O6^i	76.5 (2)	O9—Mo5—O17	99.1 (2)
O5W—Nd1—O6^i	72.5 (2)	O16—Mo5—O17	149.04 (18)
O1W—Nd1—O6W	124.79 (17)	O10—Mo5—O24	92.11 (18)
O3W—Nd1—O6W	119.4 (2)	O9—Mo5—O24	161.62 (18)
O4W—Nd1—O6W	67.96 (17)	O16—Mo5—O24	82.60 (18)
O7W—Nd1—O6W	66.02 (17)	O17—Mo5—O24	71.79 (16)
O2W—Nd1—O6W	70.28 (18)	O10—Mo5—O23	159.84 (18)
O5W—Nd1—O6W	71.85 (17)	O9—Mo5—O23	93.44 (19)
O6^i—Nd1—O6W	136.38 (15)	O16—Mo5—O23	71.13 (18)
O1W—Nd1—O9	66.15 (16)	O17—Mo5—O23	83.71 (15)
O3W—Nd1—O9	68.59 (19)	O24—Mo5—O23	70.07 (13)
O4W—Nd1—O9	76.92 (17)	O12—Mo6—O11	106.1 (3)
O7W—Nd1—O9	76.04 (16)	O12—Mo6—O18	101.2 (2)
O2W—Nd1—O9	137.58 (19)	O11—Mo6—O18	100.5 (2)
O5W—Nd1—O9	140.17 (18)	O12—Mo6—O17	96.5 (2)
O6^i—Nd1—O9	90.58 (16)	O11—Mo6—O17	98.3 (2)
O6W—Nd1—O9	133.05 (15)	O18—Mo6—O17	149.40 (18)
O23—Cr1—O24	84.32 (18)	O12—Mo6—O24	158.8 (2)
O23—Cr1—O19	95.09 (15)	O11—Mo6—O24	93.3 (2)
O24—Cr1—O19	84.12 (18)	O18—Mo6—O24	83.50 (18)
O23—Cr1—O21	95.75 (18)	O17—Mo6—O24	71.48 (16)
O24—Cr1—O21	179.6 (2)	O12—Mo6—O19	91.5 (2)
O19—Cr1—O21	96.28 (18)	O11—Mo6—O19	162.1 (2)
O23—Cr1—O20	179.7 (2)	O18—Mo6—O19	72.24 (17)
O24—Cr1—O20	95.91 (18)	O17—Mo6—O19	82.59 (15)
O19—Cr1—O20	85.14 (19)	O24—Mo6—O19	69.95 (13)
O21—Cr1—O20	84.02 (17)	Mo3—O6—Nd1^ii	165.4 (3)
O23—Cr1—O22	85.01 (19)	Mo5—O9—Nd1	151.7 (3)
O24—Cr1—O22	95.74 (18)	Mo2—O13—Mo1	119.7 (2)
O19—Cr1—O22	179.8 (2)	Mo3—O14—Mo2	118.28 (18)
O21—Cr1—O22	83.86 (17)	Mo3—O15—Mo4	121.0 (3)
O20—Cr1—O22	94.77 (15)	Mo4—O16—Mo5	120.5 (3)
O1—Mo1—O2	106.8 (3)	Mo5—O17—Mo6	117.53 (19)
O1—Mo1—O18	101.8 (2)	Mo1—O18—Mo6	118.9 (2)
O2—Mo1—O18	98.9 (2)	Cr1—O19—Mo1	101.85 (17)
O1—Mo1—O13	95.9 (2)	Cr1—O19—Mo6	102.10 (17)
O2—Mo1—O13	99.8 (2)	Mo1—O19—Mo6	91.69 (14)
O18—Mo1—O13	149.2 (2)	Cr1—O20—Mo1	102.21 (17)
O1—Mo1—O20	156.7 (2)	Cr1—O20—Mo2	101.81 (17)
O2—Mo1—O20	94.6 (2)	Mo1—O20—Mo2	93.11 (15)
O18—Mo1—O20	83.29 (17)	Cr1—O21—Mo2	103.34 (18)
O13—Mo1—O20	71.02 (17)	Cr1—O21—Mo3	103.28 (16)
O1—Mo1—O19	88.9 (2)	Mo2—O21—Mo3	93.69 (13)
O2—Mo1—O19	163.4 (2)	Cr1—O22—Mo4	102.14 (17)
O18—Mo1—O19	72.31 (16)	Cr1—O22—Mo3	103.11 (18)
O13—Mo1—O19	83.08 (17)	Mo4—O22—Mo3	94.02 (16)
O20—Mo1—O19	70.79 (15)	Cr1—O23—Mo4	101.69 (17)
O3—Mo2—O4	105.6 (2)	Cr1—O23—Mo5	102.37 (18)
O3—Mo2—O13	103.0 (2)	Mo4—O23—Mo5	92.25 (15)
O4—Mo2—O13	99.4 (2)	Cr1—O24—Mo6	103.80 (17)
O3—Mo2—O14	93.8 (2)	Cr1—O24—Mo5	103.23 (18)
O4—Mo2—O14	99.8 (2)	Mo6—O24—Mo5	94.30 (13)
O13—Mo2—O14	149.93 (18)	Nd1—O1W—H1	109.4
O3—Mo2—O21	159.8 (2)	Nd1—O1W—H2	109.3
O4—Mo2—O21	90.96 (19)	H1—O1W—H2	109.4
O13—Mo2—O21	85.22 (18)	Nd1—O2W—H3	109.4
O14—Mo2—O21	71.55 (15)	Nd1—O2W—H4	109.4
O3—Mo2—O20	93.9 (2)	H3—O2W—H4	109.6
O4—Mo2—O20	160.1 (2)	Nd1—O3W—H5	109.5
O13—Mo2—O20	72.06 (17)	Nd1—O3W—H6	109.1
O14—Mo2—O20	82.20 (15)	H5—O3W—H6	109.6
O21—Mo2—O20	70.79 (13)	Nd1—O4W—H7	109.2
O5—Mo3—O6	106.3 (2)	Nd1—O4W—H8	109.4
O5—Mo3—O15	98.1 (2)	H7—O4W—H8	109.6
O6—Mo3—O15	100.6 (2)	Nd1—O5W—H9	109.4
O5—Mo3—O14	100.60 (19)	Nd1—O5W—H10	109.3
O6—Mo3—O14	98.5 (2)	H9—O5W—H10	109.5
O15—Mo3—O14	148.22 (18)	Nd1—O6W—H11	109.0
O5—Mo3—O22	157.70 (19)	Nd1—O6W—H12	109.5
O6—Mo3—O22	94.8 (2)	H11—O6W—H12	109.5
O15—Mo3—O22	70.47 (18)	Nd1—O7W—H13	109.6
O14—Mo3—O22	82.87 (16)	Nd1—O7W—H14	109.5
O5—Mo3—O21	90.35 (18)	H13—O7W—H14	109.5
O6—Mo3—O21	161.97 (19)	H15—O8W—H16	109.5
O15—Mo3—O21	83.30 (17)	H17—O9W—H18	109.5
O14—Mo3—O21	71.16 (16)	H19—O10W—H20	109.4
O22—Mo3—O21	69.75 (13)	H21—O11W—H22	109.4

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H2···O10	0.85	2.39	3.060 (7)	137
O8W—H16···O1W	0.85	2.09	2.843 (4)	147
O1W—H1···O15^iii	0.85	2.05	2.617 (7)	123
O8W—H15···O14^i	0.85	2.15	2.771 (3)	129
O9W—H17···O14^i	0.85	2.11	2.917 (4)	159
O2W—H4···O2^iv	0.85	2.11	2.855 (8)	146
O9W—H18···O24^v	0.85	1.97	2.647 (3)	136
O4W—H8···O11W	0.85	1.90	2.697 (7)	155
O6W—H11···O3^vi	0.85	2.23	2.883 (3)	133
O7W—H13···O12^vii	0.85	2.15	2.963 (9)	160
O11W—H22···O4W	0.85	2.17	2.697 (9)	120
O10W—H19···O5W^viii	0.85	2.14	2.751 (9)	129

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