[Oxybis(ethane-1,2-di­yl)]bis­(di­methyl­ammonium) octa­molybdate dihydrate

The title compound, (C₈H₂₂N₂O)₂[Mo₈O₂₆]·H₂O, (cis-H₂L)₂[β-Mo₈O₂₆]·H₂O, where L = (bis­[2-N,N-di­methyl­amino)­eth­yl] ether), was synthesized from bis­[2-(di­methyl­amino)­eth­yl] ether and MoO₃ under solvothermal conditions and characterized by multinuclear NMR and single-crystal X-ray diffraction techniques. The structure displays two [oxybis(ethane-1,2-di­yl)]bis­(di­methyl­ammonium), or [cis-H₂L]²⁺, cations, a central [β-Mo₈O₂₆]⁴⁻ anionic cluster consisting of eight distorted MoO₆ octa­hedra, and two water mol­ecules in their deuterated form. The central anion lies across an inversion center. The [cis-H₂L]²⁺ cations are hydrogen bonded to the central [β-Mo₈O₂₆]⁴⁻ cluster via bridging water mol­ecules. In the crystal, O—H...O hydrogen bonds link the components into chains along [010]. Weak C—H...O hydrogen bonds link these chains into a three-dimensional network.

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.009 Å
• R factor = 0.032
• wR factor = 0.074
• Data-to-parameter ratio = 13.6

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full value Low .      0.978 Why?
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0085 Ang.
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600         80 Report
PLAT934_ALERT_3_C Number of (Iobs-Icalc)/Sigma(W) > 10 Outliers ..          1 Check
PLAT975_ALERT_2_C Check Calcd Resid. Dens.  1.04A   From O4              0.73 eA-3
PLAT975_ALERT_2_C Check Calcd Resid. Dens.  0.94A   From O15             0.55 eA-3
PLAT975_ALERT_2_C Check Calcd Resid. Dens.  0.85A   From O13             0.52 eA-3
PLAT975_ALERT_2_C Check Calcd Resid. Dens.  0.64A   From O1              0.51 eA-3
PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density.          0 Info

Alert level G
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............          4 Report
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT  Unusually Large      11.06 Why ?
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O15            104.6 Degree
PLAT794_ALERT_5_G Tentative Bond Valency for Mo1       (VI)      .       5.91 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Mo2       (VI)      .       5.76 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Mo3       (VI)      .       5.90 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Mo4       (VI)      .       5.83 Info
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          5 Note
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...          5 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   9 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  10 ALERT level G = General information/check it is not something unexpected

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   8 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   5 ALERT type 5 Informative message, check

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Computing details

Data collection: APEX3 (Bruker, 2017); cell refinement: SAINT (Bruker, 2017); data reduction: SAINT (Bruker, 2017); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2016 (Sheldrick, 2015); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

[Oxybis(ethane-1,2-diyl)]bis(dimethylammonium) octamolybdate dihydrate

Crystal data

(C8H22N2O)2[Mo8O26]·2D2O	F(000) = 1496
Mr = 1548.13	Dx = 2.526 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 10.139 (3) Å	Cell parameters from 4105 reflections
b = 11.350 (3) Å	θ = 2.2–25.4°
c = 17.815 (5) Å	µ = 2.48 mm^−1
β = 96.773 (3)°	T = 100 K
V = 2035.7 (9) Å^3	Block, colourless
Z = 2	0.28 × 0.23 × 0.02 mm

Data collection

Bruker APEXII CCD diffractometer	2992 reflections with I > 2σ(I)
Detector resolution: 8.258 pixels mm^-1	Rint = 0.029
φ and ω scans	θmax = 25.4°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Bruker, 2017)	h = −10→12
Tmin = 0.581, Tmax = 0.646	k = −9→13
8296 measured reflections	l = −21→19
3652 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.032	H-atom parameters constrained
wR(F^2) = 0.074	w = 1/[σ^2(Fo^2) + (0.0204P)^2 + 11.0569P] where P = (Fo^2 + 2Fc^2)/3
S = 1.08	(Δ/σ)max = 0.001
3652 reflections	Δρmax = 0.75 e Å^−3
269 parameters	Δρmin = −0.88 e Å^−3
0 restraints

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Mo4	0.51222 (5)	0.56859 (4)	0.59121 (2)	0.00664 (12)
Mo3	0.57308 (5)	0.29183 (4)	0.58295 (2)	0.00758 (12)
Mo2	0.27674 (5)	0.24855 (5)	0.49345 (3)	0.00926 (13)
Mo1	0.21926 (5)	0.52804 (5)	0.50414 (3)	0.00963 (13)
O5	0.6544 (4)	0.4504 (3)	0.59792 (19)	0.0083 (8)
O4	0.4575 (4)	0.1866 (3)	0.52022 (19)	0.0082 (8)
O1	0.4160 (4)	0.4202 (3)	0.53033 (19)	0.0081 (8)
O2	0.3639 (4)	0.6471 (3)	0.53276 (19)	0.0078 (8)
O3	0.1739 (4)	0.3814 (3)	0.45750 (19)	0.0090 (8)
O15	0.5610 (4)	0.0398 (4)	0.4110 (2)	0.0102 (9)
D15A	0.538031	0.090272	0.443795	0.015*
D15B	0.552187	−0.028589	0.431848	0.015*
O13	0.6163 (4)	0.6926 (3)	0.6051 (2)	0.0102 (8)
O7	0.1035 (4)	0.6188 (4)	0.4579 (2)	0.0138 (9)
O14	0.6350 (4)	0.1851 (4)	0.2749 (2)	0.0138 (9)
O11	0.7115 (4)	0.2063 (4)	0.5948 (2)	0.0127 (9)
O9	0.2025 (4)	0.1352 (4)	0.4428 (2)	0.0161 (9)
O10	0.5105 (4)	0.2820 (4)	0.6675 (2)	0.0116 (9)
O8	0.2277 (4)	0.2344 (4)	0.5810 (2)	0.0162 (9)
O12	0.4551 (4)	0.5481 (4)	0.6757 (2)	0.0117 (9)
O6	0.1744 (4)	0.5114 (4)	0.5923 (2)	0.0148 (9)
N1	0.8289 (5)	0.1047 (4)	0.3826 (2)	0.0108 (10)
H1	0.731353	0.088198	0.377628	0.013*
N2	0.4038 (5)	0.0472 (4)	0.2666 (3)	0.0120 (11)
H2	0.465967	0.050370	0.314483	0.014*
C4	0.5429 (6)	0.1940 (6)	0.2073 (3)	0.0163 (14)
H4A	0.567447	0.138138	0.168577	0.020*
H4B	0.543593	0.274796	0.186460	0.020*
C6	0.8473 (6)	0.2142 (6)	0.3394 (3)	0.0159 (13)
H6A	0.942746	0.224333	0.334054	0.019*
H6B	0.818449	0.282736	0.367715	0.019*
C2	0.4473 (7)	−0.0508 (6)	0.2199 (3)	0.0221 (15)
H2A	0.385925	−0.057648	0.173291	0.033*
H2B	0.447599	−0.124628	0.248378	0.033*
H2C	0.536992	−0.034577	0.207200	0.033*
C5	0.7685 (6)	0.2105 (6)	0.2617 (3)	0.0185 (14)
H5A	0.773187	0.287257	0.235703	0.022*
H5B	0.802965	0.148390	0.230206	0.022*
C8	0.8742 (6)	0.1196 (6)	0.4648 (3)	0.0172 (14)
H8A	0.969481	0.137400	0.471856	0.026*
H8B	0.857809	0.046710	0.491716	0.026*
H8C	0.825183	0.184516	0.484942	0.026*
C3	0.4072 (6)	0.1646 (6)	0.2288 (3)	0.0153 (13)
H3A	0.380344	0.226151	0.263347	0.018*
H3B	0.342107	0.164899	0.182807	0.018*
C7	0.8937 (7)	0.0006 (6)	0.3518 (4)	0.0244 (16)
H7A	0.866396	−0.005198	0.297311	0.037*
H7B	0.866965	−0.070964	0.376808	0.037*
H7C	0.990385	0.009487	0.361060	0.037*
C1	0.2683 (6)	0.0247 (6)	0.2869 (3)	0.0209 (15)
H1A	0.205718	0.018943	0.240680	0.031*
H1B	0.241766	0.089540	0.318142	0.031*
H1C	0.267874	−0.049343	0.315157	0.031*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mo4	0.0060 (3)	0.0080 (3)	0.0061 (2)	−0.0005 (2)	0.00142 (17)	−0.00017 (18)
Mo3	0.0070 (3)	0.0078 (3)	0.0080 (2)	−0.0009 (2)	0.00073 (18)	0.00107 (19)
Mo2	0.0070 (3)	0.0099 (3)	0.0112 (2)	−0.0009 (2)	0.00251 (18)	0.0000 (2)
Mo1	0.0070 (3)	0.0103 (3)	0.0118 (2)	−0.0009 (2)	0.00221 (19)	−0.0002 (2)
O5	0.009 (2)	0.008 (2)	0.0078 (17)	−0.0009 (16)	0.0008 (15)	0.0025 (15)
O4	0.007 (2)	0.008 (2)	0.0096 (18)	0.0003 (16)	0.0029 (15)	−0.0001 (15)
O1	0.008 (2)	0.009 (2)	0.0073 (17)	−0.0017 (16)	0.0010 (15)	−0.0002 (15)
O2	0.007 (2)	0.005 (2)	0.0108 (18)	−0.0014 (16)	0.0003 (15)	0.0010 (15)
O3	0.007 (2)	0.009 (2)	0.0107 (18)	0.0000 (16)	0.0007 (15)	0.0011 (16)
O15	0.011 (2)	0.008 (2)	0.0122 (19)	0.0018 (18)	0.0033 (16)	−0.0002 (16)
O13	0.007 (2)	0.012 (2)	0.0113 (18)	−0.0006 (17)	0.0012 (15)	−0.0023 (16)
O7	0.011 (2)	0.013 (2)	0.018 (2)	−0.0020 (18)	0.0013 (16)	0.0032 (18)
O14	0.009 (2)	0.021 (3)	0.0116 (19)	−0.0033 (18)	0.0017 (16)	0.0065 (17)
O11	0.009 (2)	0.014 (2)	0.0151 (19)	−0.0011 (17)	−0.0002 (16)	−0.0001 (17)
O9	0.010 (2)	0.018 (3)	0.021 (2)	−0.0008 (18)	0.0049 (17)	−0.0042 (18)
O10	0.015 (2)	0.012 (2)	0.0082 (18)	−0.0027 (18)	0.0037 (16)	0.0010 (16)
O8	0.016 (2)	0.020 (3)	0.014 (2)	−0.0002 (19)	0.0061 (17)	0.0020 (18)
O12	0.015 (2)	0.013 (2)	0.0075 (18)	0.0002 (18)	0.0039 (16)	0.0027 (16)
O6	0.011 (2)	0.016 (2)	0.018 (2)	0.0006 (18)	0.0059 (16)	−0.0006 (18)
N1	0.008 (3)	0.012 (3)	0.013 (2)	−0.001 (2)	0.0044 (19)	0.000 (2)
N2	0.013 (3)	0.011 (3)	0.012 (2)	−0.002 (2)	0.0012 (19)	−0.001 (2)
C4	0.019 (3)	0.017 (4)	0.013 (3)	−0.002 (3)	0.001 (2)	0.003 (3)
C6	0.013 (3)	0.017 (4)	0.018 (3)	−0.004 (3)	0.003 (2)	0.002 (3)
C2	0.034 (4)	0.014 (4)	0.017 (3)	0.002 (3)	−0.002 (3)	0.001 (3)
C5	0.016 (3)	0.020 (4)	0.020 (3)	−0.005 (3)	0.004 (3)	0.008 (3)
C8	0.010 (3)	0.028 (4)	0.014 (3)	0.000 (3)	0.001 (2)	−0.002 (3)
C3	0.015 (3)	0.017 (3)	0.013 (3)	0.005 (3)	−0.002 (2)	0.003 (2)
C7	0.034 (4)	0.019 (4)	0.022 (3)	0.003 (3)	0.011 (3)	−0.006 (3)
C1	0.014 (3)	0.033 (4)	0.016 (3)	−0.009 (3)	0.003 (3)	0.004 (3)

Geometric parameters (Å, º)

Mo1—O1	2.340 (4)	N1—H1	1.0000
Mo1—O2	2.015 (4)	N1—C6	1.485 (7)
Mo1—O3	1.893 (4)	N1—C8	1.493 (7)
Mo1—O5^i	2.357 (4)	N1—C7	1.487 (8)
Mo1—O6	1.696 (4)	N2—H2	1.0000
Mo1—O7	1.700 (4)	N2—C2	1.486 (8)
Mo2—O1	2.450 (4)	N2—C3	1.494 (8)
Mo2—O3	1.901 (4)	N2—C1	1.484 (7)
Mo2—O4	1.968 (4)	C4—H4A	0.9900
Mo2—O8	1.699 (4)	C4—H4B	0.9900
Mo2—O9	1.696 (4)	C4—C3	1.509 (8)
Mo2—O13^i	2.270 (4)	C6—H6A	0.9900
Mo3—O1	2.277 (4)	C6—H6B	0.9900
Mo3—O2^i	2.334 (4)	C6—C5	1.516 (7)
Mo3—O4	1.933 (4)	C2—H2A	0.9800
Mo3—O5	1.984 (4)	C2—H2B	0.9800
Mo3—O10	1.705 (4)	C2—H2C	0.9800
Mo3—O11	1.699 (4)	C5—H5A	0.9900
Mo4—O1	2.172 (4)	C5—H5B	0.9900
Mo4—O1^i	2.368 (4)	C8—H8A	0.9800
Mo4—O2	1.942 (4)	C8—H8B	0.9800
Mo4—O5	1.963 (4)	C8—H8C	0.9800
Mo4—O12	1.692 (4)	C3—H3A	0.9900
Mo4—O13	1.759 (4)	C3—H3B	0.9900
Mo4—Mo3	3.2081 (11)	C7—H7A	0.9800
Mo4—Mo1	3.2177 (9)	C7—H7B	0.9800
O15—D15A	0.8701	C7—H7C	0.9800
O15—D15B	0.8698	C1—H1A	0.9800
O14—C4	1.437 (6)	C1—H1B	0.9800
O14—C5	1.430 (7)	C1—H1C	0.9800
Mo3—Mo4—Mo1	90.539 (19)	O6—Mo1—O3	103.34 (18)
O5—Mo4—Mo3	35.86 (11)	O6—Mo1—O7	105.74 (19)
O5—Mo4—Mo1	124.14 (11)	Mo4—O5—Mo3	108.74 (17)
O5—Mo4—O1	77.51 (15)	Mo4—O5—Mo1^i	110.13 (16)
O5—Mo4—O1^i	77.85 (14)	Mo3—O5—Mo1^i	104.21 (16)
O1—Mo4—Mo3	45.18 (10)	Mo3—O4—Mo2	113.77 (19)
O1^i—Mo4—Mo3	85.93 (9)	Mo4—O1—Mo4^i	104.28 (15)
O1—Mo4—Mo1	46.64 (10)	Mo4—O1—Mo3	92.26 (13)
O1^i—Mo4—Mo1	86.14 (9)	Mo4—O1—Mo2	164.06 (18)
O1—Mo4—O1^i	75.72 (15)	Mo4^i—O1—Mo2	91.55 (12)
O2—Mo4—Mo3	124.45 (11)	Mo4—O1—Mo1	90.93 (14)
O2—Mo4—Mo1	36.36 (11)	Mo3—O1—Mo4^i	97.77 (14)
O2—Mo4—O5	149.67 (15)	Mo3—O1—Mo2	87.39 (13)
O2—Mo4—O1^i	77.70 (14)	Mo3—O1—Mo1	162.78 (18)
O2—Mo4—O1	79.29 (15)	Mo1—O1—Mo4^i	97.84 (13)
O13—Mo4—Mo3	132.42 (13)	Mo1—O1—Mo2	84.95 (12)
O13—Mo4—Mo1	133.35 (12)	Mo4—O2—Mo3^i	109.56 (17)
O13—Mo4—O5	96.57 (17)	Mo4—O2—Mo1	108.81 (18)
O13—Mo4—O1	156.57 (16)	Mo1—O2—Mo3^i	104.03 (14)
O13—Mo4—O1^i	80.88 (15)	Mo1—O3—Mo2	117.03 (18)
O13—Mo4—O2	97.00 (16)	D15A—O15—D15B	104.5
O12—Mo4—Mo3	89.67 (14)	Mo4—O13—Mo2^i	117.40 (18)
O12—Mo4—Mo1	90.91 (13)	C5—O14—C4	112.4 (4)
O12—Mo4—O5	100.26 (17)	C6—N1—H1	107.1
O12—Mo4—O1	99.04 (17)	C6—N1—C8	111.7 (5)
O12—Mo4—O1^i	174.68 (17)	C6—N1—C7	112.7 (5)
O12—Mo4—O2	102.45 (17)	C8—N1—H1	107.1
O12—Mo4—O13	104.33 (18)	C7—N1—H1	107.1
O5—Mo3—Mo4	35.40 (11)	C7—N1—C8	110.7 (5)
O5—Mo3—O1	74.60 (14)	C2—N2—H2	107.8
O5—Mo3—O2^i	72.35 (14)	C2—N2—C3	113.0 (5)
O4—Mo3—Mo4	121.63 (11)	C3—N2—H2	107.8
O4—Mo3—O5	148.38 (15)	C1—N2—H2	107.8
O4—Mo3—O1	79.08 (14)	C1—N2—C2	110.6 (5)
O4—Mo3—O2^i	83.29 (14)	C1—N2—C3	109.5 (5)
O1—Mo3—Mo4	42.56 (9)	O14—C4—H4A	110.3
O1—Mo3—O2^i	72.39 (13)	O14—C4—H4B	110.3
O2^i—Mo3—Mo4	79.86 (9)	O14—C4—C3	107.0 (4)
O11—Mo3—Mo4	135.57 (14)	H4A—C4—H4B	108.6
O11—Mo3—O5	100.21 (17)	C3—C4—H4A	110.3
O11—Mo3—O4	98.89 (17)	C3—C4—H4B	110.3
O11—Mo3—O1	160.74 (16)	N1—C6—H6A	109.3
O11—Mo3—O2^i	88.35 (16)	N1—C6—H6B	109.3
O11—Mo3—O10	103.94 (18)	N1—C6—C5	111.4 (5)
O10—Mo3—Mo4	85.97 (14)	H6A—C6—H6B	108.0
O10—Mo3—O5	97.61 (17)	C5—C6—H6A	109.3
O10—Mo3—O4	101.94 (17)	C5—C6—H6B	109.3
O10—Mo3—O1	95.18 (16)	N2—C2—H2A	109.5
O10—Mo3—O2^i	165.54 (17)	N2—C2—H2B	109.5
O4—Mo2—O1	74.23 (14)	N2—C2—H2C	109.5
O4—Mo2—O13^i	77.07 (14)	H2A—C2—H2B	109.5
O3—Mo2—O4	145.37 (16)	H2A—C2—H2C	109.5
O3—Mo2—O1	74.65 (14)	H2B—C2—H2C	109.5
O3—Mo2—O13^i	78.41 (15)	O14—C5—C6	105.2 (5)
O13^i—Mo2—O1	70.16 (13)	O14—C5—H5A	110.7
O9—Mo2—O4	101.54 (17)	O14—C5—H5B	110.7
O9—Mo2—O1	162.10 (16)	C6—C5—H5A	110.7
O9—Mo2—O3	103.37 (18)	C6—C5—H5B	110.7
O9—Mo2—O13^i	91.97 (17)	H5A—C5—H5B	108.8
O9—Mo2—O8	104.9 (2)	N1—C8—H8A	109.5
O8—Mo2—O4	96.25 (17)	N1—C8—H8B	109.5
O8—Mo2—O1	92.90 (17)	N1—C8—H8C	109.5
O8—Mo2—O3	100.13 (18)	H8A—C8—H8B	109.5
O8—Mo2—O13^i	162.85 (17)	H8A—C8—H8C	109.5
O5^i—Mo1—Mo4	78.60 (9)	H8B—C8—H8C	109.5
O1—Mo1—Mo4	42.44 (9)	N2—C3—C4	112.4 (5)
O1—Mo1—O5^i	71.35 (13)	N2—C3—H3A	109.1
O2—Mo1—Mo4	34.83 (10)	N2—C3—H3B	109.1
O2—Mo1—O5^i	71.34 (14)	C4—C3—H3A	109.1
O2—Mo1—O1	73.89 (14)	C4—C3—H3B	109.1
O3—Mo1—Mo4	120.00 (11)	H3A—C3—H3B	107.9
O3—Mo1—O5^i	83.03 (15)	N1—C7—H7A	109.5
O3—Mo1—O1	77.57 (14)	N1—C7—H7B	109.5
O3—Mo1—O2	146.37 (16)	N1—C7—H7C	109.5
O7—Mo1—Mo4	133.80 (14)	H7A—C7—H7B	109.5
O7—Mo1—O5^i	88.28 (16)	H7A—C7—H7C	109.5
O7—Mo1—O1	159.59 (16)	H7B—C7—H7C	109.5
O7—Mo1—O2	99.00 (17)	N2—C1—H1A	109.5
O7—Mo1—O3	101.67 (17)	N2—C1—H1B	109.5
O6—Mo1—Mo4	84.40 (13)	N2—C1—H1C	109.5
O6—Mo1—O5^i	162.77 (16)	H1A—C1—H1B	109.5
O6—Mo1—O1	94.14 (16)	H1A—C1—H1C	109.5
O6—Mo1—O2	96.14 (17)	H1B—C1—H1C	109.5

Symmetry code: (i) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···O14	1.00	2.26	2.737 (6)	108
N1—H1···O15	1.00	1.97	2.916 (7)	157
N2—H2···O14	1.00	2.46	2.808 (7)	100
N2—H2···O15	1.00	1.87	2.863 (6)	170
O15—D15A···O4	0.87	1.99	2.854 (5)	170
O15—D15B···O4^ii	0.87	1.99	2.863 (6)	177
C1—H1A···O5^iii	0.98	2.56	3.440 (6)	149
C1—H1B···O9	0.98	2.36	3.189 (7)	142
C1—H1C···O11^ii	0.98	2.39	3.355 (8)	168
C2—H2A···O3^iv	0.98	2.44	3.343 (7)	153
C2—H2B···O10^ii	0.98	2.34	3.300 (8)	167
C3—H3A···O13^i	0.99	2.52	3.407 (7)	150
C3—H3B···O11^iii	0.99	2.42	3.266 (7)	143
C4—H4A···O6^v	0.99	2.50	3.472 (8)	167
C6—H6B···O6^i	0.99	2.44	3.360 (8)	154
C7—H7A···O12^v	0.98	2.49	3.316 (8)	142
C7—H7B···O8^ii	0.98	2.26	3.227 (8)	170
C8—H8A···O9^vi	0.98	2.48	3.402 (7)	157
C8—H8B···O9^ii	0.98	2.48	3.461 (8)	176
C8—H8C···O11	0.98	2.40	3.155 (7)	134
C8—H8C···O7^i	0.98	2.52	3.270 (8)	133

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

Selected bond lengths (Å)

Mo-O	(Å)	Mo-O	(Å)
Mo1-O1	2.340 (4)	Mo3-O1	2.277 (4)
Mo1-O2	2.015 (4)	Mo3-O2#1	2.334 (4)
Mo1-O3	1.893 (4)	Mo3-O4	1.933 (4)
Mo1-O5#1	2.357 (4)	Mo3-O5	1.984 (4)
Mo1-O6	1.696 (4)	Mo3-O10	1.705 (4)
Mo1-O7	1.700 (4)	Mo3-O11	1.699 (4)
Mo2-O1	2.450 (4)	Mo4-O1	2.172 (4)
Mo2-O3	1.901 (4)	Mo4-O1#1	2.368 (4)
Mo2-O4	1.968 (4)	Mo4-O2	1.942 (4)
Mo2-O8	1.699 (4)	Mo4-O5	1.963 (4)
Mo2-O9	1.696 (4)	Mo4-O12	1.692 (4)
Mo2-O13#1	2.270 (4)	Mo4-O13	1.759 (4)

Symmetry transformations used to generate equivalent atoms: #1 -x+1,-y+1,-z+1