Penta­guanidinium mono­hydrogen­diphospho­penta­molybdate(VI) 2.5-hydrate, (CH₆N₃)₅[HP₂Mo₅O₂₃]·2.5H₂O: hydrogen bonding and [pi]-stacking in guanidinium cations

The asymmetric unit of the title compound consists of two crystallographically independent, but structurally identical, [HP₂Mo₅O₂₃]^5- anions, ten guanidinium cations and five water mol­ecules. Each singly protonated diphospho­penta­molyb­date(VI) anion retains the typical geometry of a ring of five edge-sharing MoO₆ octa­hedra [Mo...Mo = 3.3265 (8)-3.4029 (10) Å], except for one corner-sharing link [Mo...Mo = 3.6642 (7) and 3.6826 (8) Å]. Two capping PO₄ tetra­hedra share corners with the five octa­hedra. Despite being surrounded by an extensive network of hydrogen bonds, predominantly from the guanidinium cations, short P-O-H...O=P contacts [O...O = 2.519 (7) and 2.457 (7) Å] associate the anions into infinite columns generated by the c-glide. In addition to their heavy involvement in hydrogen bonding, with all N-H donors being utilized, the guanidinium cations assemble into extensive [pi]-stacked columns with an average inter­planar spacing of 3.53 Å.

S1. Comment

The aim of our work is to study how the guanidium cation, with its high hydrogen-bond donating potential, influences the packing of the highly oxygenated monohydrogenphosphomolybdate pentaanion.

Previous structural studies (Aranzabe et al., 1997; Upreti & Ramanan, 2006; Fischer et al., 1974) on the [HP₂Mo₅O₂₃]^5- anion have shown that, while the P—OH group has a tendency to associate with the O₃P═O region in an adjacent anion, this is not always the case. In the title compound, (I) (Fig. 1), short P—OH···O═P contacts link the anions into infinite chains (Fig. 2). This is also the case in the bisethylenetriammonium salt (Aranzabe et al., 1997) and possibly more surprisingly the pentasodium salt (Hedman & Strandberg, 1979). However, the pentaammonium salt (Fischer et al., 1974) shows a slight modification of this arrangement, with the P—OH interacting with a P—O—Mo bridging O atom to arrange the anions into chains, whilst direct contact between the phosphate groups is lost in the bis(4-phenylammonium) [dianilinium?] salt as hydrogen-bonded water mediates between the phosphate regions. In all these cases, it is the cation–anion interaction that orchestrates the crystal packing and, taken by themselves, the anion–anion and cation–cation interactions would be energetically destabilizing, as established by D'Oria et al. (2012).

The space between the polyanions is occupied mainly by guanidinium cations, which are arranged in undulating columns so that their π-systems overlap (Fig. 3). All guanidinium H atoms are involved in N—H···O hydrogen bonds except for one, which is directed edge-on towards the π-cloud of an adjacent guanidinium cation. The N—H···O hydrogen bonds can be classified into two types, viz. N—H···O_water [2.912 (9)–3.162 (10) Å] and N—H···O, which can be further subdivided into singly [2.758 (8)–3.162 (8) Å] and bifurcated [2.888 (8)–3.274 (7) Å] hydrogen-bonded species, of which there are nine [How many of each type?], and two trifurcated bonds [2.915 (8)–3.229 (7) Å]. Also, the water molecules act as hydrogen-bond donors [water–oxide O—H···O 2.776 (8)–3.087 (8) Å and water–water O—H···O = 2.956 (10)–3.162 (10) Å].

The Mo···P distances in (I) are in the range 3.277 (2)–3.643 (2) Å, and the P···P distances are 3.721 (2) and 3.738 (2) Å. Aranzabe et al. (1997) observed that the P···P distance shortens as the protonation state of the anion increases. However, the P···P distances in (I) are both significantly shorter than the equivalent distance in a doubly protonated anion (Aranzabe et al., 1997), suggesting that this distance is susceptible to influences other than protonation. The attachment of an H atom to one of the terminal O atoms elongates the P—O distance and shortens the remaining P—O bonds compared with the unprotonated phosphate group (Table 1).

The Mo—O bond lengths of (I) vary according to whether they are terminal [1.686 (5)–1.736 (5) Å], Mo—O—Mo bridging [1.906 (4)–1.966 (5) Å] or Mo—O—P bridging [2.181 (4)–2.438 (5) Å], with each Mo atom having two of the three types of bond. The Mo atoms of the pentagonal ring are nearly in the same plane and no significant deviations are observed as a consequence of the protonation.

Related literature

For related literature, see: Aranzabe et al. (1997); D'Oria, Braga & Novoa (2012); Fischer et al. (1974); Hedman & Strandberg (1979); Sheldrick (2008); Upreti & Ramanan (2006).

S2. Experimental

Colourless needles of (I) were obtained by adding an aqueous 0.1 M solution of guanidinium carbonate (4 ml) to a 0.1 M solution of H₃[P(Mo₃O₁₀)₄] (1 ml) in water and allowing the solution to evaporate over a period of 5 d.

S3. Refinement

All of the guanidinium H atoms were initially placed in geometrically calculated positions assuming a planar geometry about the N atoms (AFIX 93 instruction of SHELXL97; Sheldrick, 2008) and refined using a riding model with U_iso(H) = 1.2U_eq(N). An edge-to-face approach of the guanidiniums at N2 and N10 led to a clash of the H atoms and made it necessary to refine the H atoms of these two groups with N—H and H···H bond-length restraints of 0.88 (2) and 1.52 (1) Å, respectively, which allowed sp³ distortion. Additionally, the intracation distances between C1 and the H atoms on N2 and between C4 and the H atoms on N10 were restrained to be equal within a tolerance of 0.01 Å. Both phosphate H atoms were place in geometrically optimized positions and also refined using a riding model with rotational freedom about the parent P—O bond and with U_iso(H) = 1.5U_eq(O). The water H atoms were located in difference Fourier maps and, because of their large positional uncertainty, were refined with O—H and H···H distance restraints of 0.82 (1) and 1.34 (1) Å, respectively, and with U_iso(H) = 1.5U_eq(O51), except for H51W/X, for which the U_iso(H) were fixed at 0.034 Ų. Additionally, the intermolecular distances between N4 and water H atoms H50X/W were restrained to be equal within a tolerance of 0.02 Å to prevent a clash with the H atom attached to N4. The crystal was an extremely thin needle and empirical absorption corrections were only partially successful, leaving significant electron density around the Mo atoms. It is thought that this is the reason why 12 reflections showed particularly bad F_o/F_c agreement and had to be omitted.

Computing details

Data collection: CrysAlis PRO (Agilent, 2011); cell refinement: CrysAlis PRO (Agilent, 2011); data reduction: CrysAlis PRO (Agilent, 2011); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997) and Mercury (Macrae et al., 2008); software used to prepare material for publication: WinGX (Farrugia, 1999) and publCIF (Westrip, 2010).

Figures

	Fig. 1. A view of the asymmetric unit of (I), containing two crystallographically independent, but structurally identical, [HP2Mo5O23]^5- anions, ten guanidinium cations and five water molecules, with displacement ellipsoids drawn at the 50% probability level.
	Fig. 2. The P—H···O═P hydrogen bonds in (I) (thin lines), linking the [HP2Mo5O23]^5- anions along c.
	Fig. 3. A view of the guanidinium π-stacks in (I).

Pentaguanidinium monohydrogendiphosphopentamolybdate(VI) 2.5-hydrate

Crystal data

(CH6N3)5[HP2Mo5O23]·2.5H2O	F(000) = 4920
Mr = 1256.13	Dx = 2.383 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5954 reflections
a = 23.0859 (10) Å	θ = 3.0–28.4°
b = 19.2656 (9) Å	µ = 1.95 mm^−1
c = 15.7659 (8) Å	T = 100 K
β = 92.873 (4)°	Needle, colourless
V = 7003.3 (6) Å^3	0.25 × 0.02 × 0.02 mm
Z = 8

Data collection

Agilent Xcalibur Sapphire2 (large Be window) diffractometer	13733 independent reflections
Graphite monochromator	9661 reflections with I > 2σ(I)
Detector resolution: 8.3367 pixels mm^-1	Rint = 0.059
ω scans	θmax = 26°, θmin = 3.0°
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011)	h = −28→28
Tmin = 0.642, Tmax = 0.962	k = −21→23
27434 measured reflections	l = −16→19

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.049	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.106	H atoms treated by a mixture of independent and constrained refinement
S = 1.04	w = 1/[σ^2(Fo^2) + (0.0304P)^2] where P = (Fo^2 + 2Fc^2)/3
13733 reflections	(Δ/σ)max = 0.001
993 parameters	Δρmax = 1.32 e Å^−3
24 restraints	Δρmin = −1.16 e Å^−3

Special details

Experimental. Absorption correction: CrysAlisPro, Agilent Technologies, Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET) (compiled Oct 27 2011,15:02:11) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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 > 2σ(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
C1	0.4565 (3)	0.0621 (4)	0.1870 (5)	0.0126 (16)
C2	0.1076 (3)	0.5074 (4)	0.0898 (5)	0.0139 (17)
C3	0.2603 (3)	0.0013 (4)	0.6172 (5)	0.0125 (16)
C4	0.2508 (3)	0.0068 (4)	0.1464 (5)	0.0167 (18)
C5	0.5738 (3)	0.1901 (4)	0.1931 (5)	0.0125 (16)
C6	0.4075 (3)	0.0103 (4)	0.5608 (5)	0.0152 (17)
C7	0.6874 (3)	0.3296 (4)	0.2876 (5)	0.0164 (17)
C8	0.1892 (3)	0.1720 (4)	0.1588 (5)	0.0139 (17)
C9	0.0579 (3)	0.3106 (4)	0.3097 (5)	0.0128 (16)
C10	0.0389 (3)	0.5501 (4)	0.7048 (5)	0.0155 (17)
Mo1	0.45788 (3)	0.20524 (3)	0.43388 (4)	0.00937 (14)
Mo2	0.49031 (2)	0.36740 (3)	0.38147 (4)	0.00856 (14)
Mo3	0.36660 (2)	0.46239 (3)	0.37062 (4)	0.00878 (14)
Mo4	0.25158 (2)	0.33139 (3)	0.35246 (4)	0.00922 (14)
Mo5	0.31154 (3)	0.18233 (3)	0.42360 (4)	0.00965 (14)
Mo6	0.18939 (3)	0.81485 (3)	0.45389 (4)	0.01086 (15)
Mo7	0.24658 (2)	0.65915 (3)	0.40921 (4)	0.00896 (14)
Mo8	0.14031 (2)	0.53976 (3)	0.39904 (4)	0.00910 (14)
Mo9	0.00618 (3)	0.64327 (3)	0.38005 (4)	0.01005 (14)
Mo10	0.04277 (3)	0.80199 (3)	0.45177 (4)	0.01005 (14)
N1	0.4590 (2)	0.0461 (3)	0.1066 (4)	0.0121 (14)
H1A	0.4891	0.0233	0.0888	0.015*
H1B	0.4306	0.0582	0.0703	0.015*
N2	0.4088 (2)	0.0965 (3)	0.2141 (4)	0.0143 (14)
N3	0.4986 (2)	0.0446 (3)	0.2427 (4)	0.0148 (14)
H3A	0.529	0.0217	0.226	0.018*
H3B	0.4962	0.0557	0.2965	0.018*
N4	0.1211 (3)	0.4481 (3)	0.1287 (4)	0.0186 (15)
H4A	0.1319	0.4481	0.1831	0.022*
H4B	0.1192	0.4088	0.1003	0.022*
N5	0.1103 (3)	0.5663 (3)	0.1323 (4)	0.0203 (15)
H5A	0.1211	0.5663	0.1866	0.024*
H5B	0.1014	0.6056	0.1064	0.024*
N6	0.0902 (3)	0.5069 (3)	0.0079 (4)	0.0209 (16)
H6A	0.0805	0.546	−0.018	0.025*
H6B	0.0884	0.4675	−0.0203	0.025*
N7	0.2536 (3)	−0.0015 (3)	0.5333 (4)	0.0173 (15)
H7A	0.2559	0.0367	0.503	0.021*
H7B	0.247	−0.0416	0.5078	0.021*
N8	0.2702 (2)	0.0603 (3)	0.6563 (4)	0.0168 (15)
H8A	0.2726	0.0989	0.6268	0.02*
H8B	0.2745	0.0614	0.712	0.02*
N9	0.2572 (3)	−0.0577 (3)	0.6612 (4)	0.0159 (14)
H9A	0.2619	−0.057	0.7169	0.019*
H9B	0.2505	−0.0972	0.6345	0.019*
N10	0.2768 (3)	0.0381 (4)	0.2130 (4)	0.0221 (16)
N11	0.2003 (3)	−0.0252 (3)	0.1558 (4)	0.0200 (16)
H11A	0.1823	−0.0456	0.112	0.024*
H11B	0.1849	−0.0258	0.2057	0.024*
N12	0.2740 (3)	0.0079 (3)	0.0718 (4)	0.0186 (15)
H12A	0.3071	0.0296	0.0658	0.022*
H12B	0.2565	−0.013	0.0281	0.022*
N13	0.5229 (3)	0.2208 (3)	0.1956 (4)	0.0194 (15)
H13A	0.501	0.2261	0.1487	0.023*
H13B	0.5107	0.2362	0.2442	0.023*
N14	0.5925 (2)	0.1669 (3)	0.1210 (4)	0.0184 (15)
H14A	0.5709	0.1719	0.0737	0.022*
H14B	0.6265	0.1465	0.12	0.022*
N15	0.6073 (3)	0.1815 (3)	0.2639 (4)	0.0176 (15)
H15A	0.6412	0.1608	0.2616	0.021*
H15B	0.5956	0.1967	0.3128	0.021*
N16	0.4149 (3)	0.0119 (4)	0.4783 (4)	0.0216 (16)
H16A	0.4201	0.0519	0.4527	0.026*
H16B	0.4146	−0.0269	0.4489	0.026*
N17	0.4078 (3)	0.0681 (3)	0.6063 (4)	0.0209 (16)
H17A	0.413	0.1084	0.5816	0.025*
H17B	0.4028	0.0662	0.6612	0.025*
N18	0.3997 (2)	−0.0500 (3)	0.6005 (4)	0.0150 (14)
H18A	0.3994	−0.0891	0.5717	0.018*
H18B	0.3948	−0.0505	0.6555	0.018*
N19	0.6513 (2)	0.3603 (3)	0.3399 (4)	0.0159 (15)
H19A	0.6196	0.3807	0.3192	0.019*
H19B	0.6593	0.3601	0.3951	0.019*
N20	0.6767 (2)	0.3290 (3)	0.2053 (4)	0.0158 (15)
H20A	0.6452	0.3491	0.1832	0.019*
H20B	0.701	0.3086	0.172	0.019*
N21	0.7342 (2)	0.2964 (3)	0.3219 (4)	0.0179 (15)
H21A	0.7577	0.2742	0.2889	0.021*
H21B	0.7413	0.2968	0.3772	0.021*
N22	0.1576 (3)	0.1416 (4)	0.0970 (4)	0.0207 (16)
H22A	0.1692	0.1424	0.0447	0.025*
H22B	0.125	0.1208	0.1083	0.025*
N23	0.1706 (2)	0.1719 (3)	0.2370 (4)	0.0158 (15)
H23A	0.1375	0.1517	0.2475	0.019*
H23B	0.1914	0.1919	0.2784	0.019*
N24	0.2384 (3)	0.2037 (4)	0.1430 (4)	0.0228 (16)
H24A	0.2504	0.2047	0.091	0.027*
H24B	0.2591	0.2237	0.1846	0.027*
N25	0.0842 (2)	0.3033 (3)	0.2376 (4)	0.0145 (14)
H25A	0.0659	0.2838	0.1935	0.017*
H25B	0.1201	0.3181	0.2337	0.017*
N26	0.0843 (2)	0.3407 (4)	0.3773 (4)	0.0203 (16)
H26A	0.12	0.3562	0.3745	0.024*
H26B	0.0661	0.345	0.4247	0.024*
N27	0.0038 (2)	0.2881 (3)	0.3146 (4)	0.0172 (15)
H27A	−0.0142	0.2686	0.2702	0.021*
H27B	−0.0141	0.2927	0.3623	0.021*
N28	−0.0012 (2)	0.5258 (3)	0.7546 (4)	0.0151 (14)
H28A	0.0022	0.5327	0.8098	0.018*
H28B	−0.0312	0.5027	0.7323	0.018*
N29	0.0341 (2)	0.5378 (3)	0.6217 (4)	0.0148 (14)
H29A	0.061	0.5527	0.5886	0.018*
H29B	0.004	0.5147	0.5999	0.018*
N30	0.0844 (2)	0.5849 (3)	0.7370 (4)	0.0145 (14)
H30A	0.0884	0.5922	0.792	0.017*
H30B	0.1106	0.6007	0.7032	0.017*
O1	0.43188 (19)	0.3105 (3)	0.4751 (3)	0.0111 (11)
O2	0.49630 (18)	0.2681 (2)	0.3613 (3)	0.0097 (11)
O3	0.40396 (19)	0.3554 (3)	0.3169 (3)	0.0115 (11)
O4	0.44855 (18)	0.4512 (2)	0.4044 (3)	0.0102 (11)
O5	0.29410 (18)	0.4169 (2)	0.3487 (3)	0.0093 (11)
O6	0.32318 (18)	0.2938 (2)	0.4461 (3)	0.0091 (10)
O7	0.38411 (19)	0.2263 (3)	0.3302 (3)	0.0107 (11)
O8	0.31191 (19)	0.3051 (2)	0.2531 (3)	0.0096 (11)
O9	0.40882 (19)	0.2830 (3)	0.1900 (3)	0.0113 (11)
H9	0.3987	0.2457	0.166	0.017*
O10	0.38728 (19)	0.1792 (2)	0.4838 (3)	0.0095 (10)
O11	0.25347 (19)	0.2295 (3)	0.3552 (3)	0.0129 (11)
O12	0.2719 (2)	0.1598 (3)	0.5090 (3)	0.0152 (12)
O13	0.31664 (19)	0.1077 (3)	0.3674 (3)	0.0164 (12)
O14	0.36165 (18)	0.4079 (2)	0.4935 (3)	0.0088 (11)
O15	0.36285 (19)	0.3100 (3)	0.5966 (3)	0.0107 (11)
O16	0.2005 (2)	0.3439 (3)	0.2714 (3)	0.0160 (12)
O17	0.2131 (2)	0.3441 (3)	0.4410 (3)	0.0146 (12)
O18	0.34993 (19)	0.5349 (3)	0.4249 (3)	0.0120 (11)
O19	0.37661 (19)	0.4950 (3)	0.2708 (3)	0.0142 (12)
O20	0.54245 (19)	0.3742 (3)	0.4611 (3)	0.0133 (11)
O21	0.52488 (19)	0.3911 (3)	0.2924 (3)	0.0115 (11)
O22	0.4713 (2)	0.1281 (3)	0.3823 (3)	0.0149 (12)
O23	0.50537 (19)	0.2027 (3)	0.5211 (3)	0.0132 (11)
O24	0.18159 (19)	0.7038 (2)	0.5047 (3)	0.0104 (11)
O25	0.23577 (19)	0.7584 (3)	0.3844 (3)	0.0117 (11)
O26	0.15947 (18)	0.6519 (3)	0.3497 (3)	0.0106 (11)
O27	0.21799 (18)	0.5686 (2)	0.4342 (3)	0.0088 (11)
O28	0.05948 (19)	0.5676 (3)	0.3800 (3)	0.0124 (11)
O29	0.07232 (19)	0.6960 (2)	0.4743 (3)	0.0098 (11)
O30	0.11956 (19)	0.7757 (3)	0.3555 (3)	0.0117 (11)
O31	0.06345 (18)	0.6806 (3)	0.2810 (3)	0.0112 (11)
O32	0.15700 (19)	0.7226 (3)	0.2208 (3)	0.0118 (11)
H32	0.1382	0.7507	0.1893	0.018*
O33	0.11691 (19)	0.8233 (3)	0.5080 (3)	0.0131 (11)
O34	−0.00661 (19)	0.7436 (3)	0.3821 (3)	0.0116 (11)
O35	0.0021 (2)	0.8103 (3)	0.5382 (3)	0.0144 (12)
O36	0.0330 (2)	0.8798 (3)	0.3975 (3)	0.0171 (12)
O37	0.12674 (18)	0.5920 (2)	0.5221 (3)	0.0086 (10)
O38	0.11395 (19)	0.6889 (3)	0.6247 (3)	0.0115 (11)
O39	−0.02963 (19)	0.6223 (3)	0.4688 (3)	0.0131 (11)
O40	−0.04426 (19)	0.6218 (3)	0.3005 (3)	0.0158 (12)
O41	0.1510 (2)	0.5108 (3)	0.2982 (3)	0.0148 (12)
O42	0.13457 (19)	0.4657 (3)	0.4549 (3)	0.0127 (11)
O43	0.29883 (18)	0.6676 (3)	0.4900 (3)	0.0119 (11)
O44	0.28360 (19)	0.6423 (3)	0.3200 (3)	0.0115 (11)
O45	0.2373 (2)	0.8306 (3)	0.5392 (3)	0.0167 (12)
O46	0.1899 (2)	0.8916 (3)	0.3993 (3)	0.0194 (12)
P1	0.37586 (7)	0.29151 (10)	0.27336 (11)	0.0089 (4)
P2	0.37025 (7)	0.33009 (10)	0.50516 (11)	0.0094 (4)
P3	0.12365 (8)	0.70892 (10)	0.30193 (11)	0.0092 (4)
P4	0.12454 (7)	0.67079 (10)	0.53336 (11)	0.0089 (4)
O47	0.1890 (3)	0.0276 (3)	0.3411 (4)	0.0261 (15)
O48	0.5691 (2)	0.3905 (3)	0.1280 (3)	0.0187 (12)
O49	0.0818 (3)	0.1038 (4)	0.3769 (4)	0.0457 (19)
O50	0.1428 (3)	0.3184 (3)	0.0338 (5)	0.0413 (17)
O51	0.3696 (2)	0.6936 (3)	0.0439 (4)	0.0289 (14)
H2A	0.389 (2)	0.121 (3)	0.1755 (15)	0.035*
H2B	0.409 (2)	0.108 (3)	0.2676 (12)	0.035*
H10A	0.3113 (16)	0.055 (4)	0.205 (2)	0.035*
H10B	0.268 (2)	0.022 (4)	0.2629 (13)	0.035*
H51W	0.390 (2)	0.728 (2)	0.041 (5)	0.034*
H51X	0.3368 (13)	0.703 (3)	0.025 (5)	0.034*
H47W	0.186 (4)	−0.010 (6)	0.362 (6)	0.052*
H47X	0.165 (4)	0.068 (5)	0.352 (6)	0.052*
H48W	0.555 (3)	0.360 (3)	0.097 (4)	0.052*
H48X	0.550 (3)	0.396 (5)	0.170 (3)	0.052*
H49W	0.059 (3)	0.121 (4)	0.342 (4)	0.052*
H49X	0.091 (4)	0.131 (3)	0.414 (4)	0.052*
H50W	0.1760 (10)	0.304 (3)	0.042 (6)	0.052*
H50X	0.1196 (19)	0.2876 (19)	0.043 (5)	0.052*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.012 (4)	0.004 (4)	0.022 (4)	−0.002 (3)	0.002 (3)	−0.004 (3)
C2	0.010 (4)	0.012 (4)	0.020 (4)	−0.006 (3)	0.005 (3)	−0.005 (4)
C3	0.011 (4)	0.013 (4)	0.014 (4)	−0.007 (3)	0.003 (3)	−0.002 (3)
C4	0.010 (4)	0.012 (4)	0.029 (5)	−0.004 (3)	0.003 (3)	−0.012 (4)
C5	0.014 (4)	0.007 (4)	0.017 (4)	−0.004 (3)	0.007 (3)	0.000 (3)
C6	0.017 (4)	0.014 (4)	0.014 (4)	0.001 (3)	−0.007 (3)	0.001 (3)
C7	0.012 (4)	0.019 (5)	0.018 (4)	−0.004 (3)	0.001 (3)	0.000 (4)
C8	0.019 (4)	0.006 (4)	0.016 (4)	0.007 (3)	−0.002 (3)	−0.005 (3)
C9	0.009 (4)	0.014 (4)	0.016 (4)	−0.001 (3)	0.001 (3)	−0.005 (3)
C10	0.013 (4)	0.013 (4)	0.020 (4)	0.001 (3)	−0.001 (3)	−0.006 (4)
Mo1	0.0105 (3)	0.0082 (3)	0.0094 (3)	0.0014 (3)	0.0009 (2)	0.0003 (3)
Mo2	0.0079 (3)	0.0086 (3)	0.0092 (3)	−0.0003 (3)	0.0012 (2)	0.0001 (3)
Mo3	0.0089 (3)	0.0077 (3)	0.0099 (3)	−0.0005 (3)	0.0011 (2)	0.0011 (3)
Mo4	0.0072 (3)	0.0093 (3)	0.0111 (3)	−0.0003 (3)	0.0006 (2)	0.0005 (3)
Mo5	0.0105 (3)	0.0085 (3)	0.0099 (3)	−0.0010 (3)	0.0000 (2)	0.0007 (3)
Mo6	0.0107 (3)	0.0084 (3)	0.0136 (3)	−0.0010 (3)	0.0021 (2)	−0.0012 (3)
Mo7	0.0086 (3)	0.0091 (3)	0.0092 (3)	0.0000 (3)	0.0010 (2)	0.0003 (3)
Mo8	0.0097 (3)	0.0073 (3)	0.0102 (3)	0.0004 (3)	−0.0002 (2)	−0.0003 (3)
Mo9	0.0088 (3)	0.0103 (3)	0.0110 (3)	0.0003 (3)	0.0000 (2)	−0.0008 (3)
Mo10	0.0110 (3)	0.0089 (3)	0.0103 (3)	0.0015 (3)	0.0011 (2)	0.0002 (3)
N1	0.013 (3)	0.014 (4)	0.010 (3)	0.008 (3)	−0.001 (2)	0.001 (3)
N2	0.015 (3)	0.020 (4)	0.008 (3)	0.004 (3)	0.000 (3)	−0.002 (3)
N3	0.008 (3)	0.026 (4)	0.010 (3)	0.003 (3)	0.001 (2)	−0.001 (3)
N4	0.022 (3)	0.018 (4)	0.016 (4)	0.004 (3)	0.001 (3)	0.002 (3)
N5	0.030 (4)	0.019 (4)	0.011 (4)	0.002 (3)	−0.002 (3)	−0.002 (3)
N6	0.041 (4)	0.012 (4)	0.009 (4)	0.004 (3)	−0.002 (3)	0.004 (3)
N7	0.027 (4)	0.011 (4)	0.014 (4)	−0.004 (3)	0.003 (3)	−0.001 (3)
N8	0.021 (3)	0.008 (3)	0.021 (4)	0.000 (3)	0.000 (3)	−0.002 (3)
N9	0.030 (4)	0.009 (3)	0.009 (3)	−0.004 (3)	0.001 (3)	−0.005 (3)
N10	0.021 (4)	0.030 (4)	0.015 (4)	−0.005 (3)	0.001 (3)	−0.008 (3)
N11	0.017 (3)	0.022 (4)	0.021 (4)	−0.014 (3)	0.001 (3)	−0.008 (3)
N12	0.018 (3)	0.023 (4)	0.015 (4)	−0.003 (3)	0.001 (3)	−0.004 (3)
N13	0.019 (3)	0.025 (4)	0.014 (4)	0.010 (3)	0.006 (3)	−0.005 (3)
N14	0.007 (3)	0.030 (4)	0.018 (4)	0.000 (3)	0.000 (3)	−0.004 (3)
N15	0.019 (3)	0.021 (4)	0.012 (3)	−0.001 (3)	0.000 (3)	−0.004 (3)
N16	0.033 (4)	0.015 (4)	0.017 (4)	−0.003 (3)	0.004 (3)	0.002 (3)
N17	0.032 (4)	0.013 (4)	0.018 (4)	−0.003 (3)	0.002 (3)	0.003 (3)
N18	0.028 (4)	0.010 (4)	0.007 (3)	0.003 (3)	−0.002 (3)	−0.002 (3)
N19	0.010 (3)	0.025 (4)	0.012 (3)	0.007 (3)	−0.004 (2)	−0.002 (3)
N20	0.015 (3)	0.025 (4)	0.008 (3)	0.007 (3)	0.002 (2)	−0.004 (3)
N21	0.015 (3)	0.024 (4)	0.015 (4)	0.007 (3)	−0.001 (3)	0.000 (3)
N22	0.014 (3)	0.032 (4)	0.016 (4)	−0.011 (3)	0.005 (3)	−0.005 (3)
N23	0.011 (3)	0.024 (4)	0.013 (3)	0.000 (3)	0.003 (2)	−0.003 (3)
N24	0.017 (3)	0.034 (5)	0.018 (4)	−0.002 (3)	0.003 (3)	−0.009 (3)
N25	0.008 (3)	0.021 (4)	0.014 (3)	−0.007 (3)	−0.005 (2)	−0.006 (3)
N26	0.008 (3)	0.036 (5)	0.017 (4)	−0.004 (3)	0.005 (3)	−0.010 (3)
N27	0.015 (3)	0.021 (4)	0.016 (4)	0.000 (3)	0.001 (3)	−0.006 (3)
N28	0.014 (3)	0.017 (4)	0.015 (3)	−0.001 (3)	0.002 (3)	−0.004 (3)
N29	0.014 (3)	0.018 (4)	0.012 (3)	−0.009 (3)	−0.001 (2)	−0.001 (3)
N30	0.011 (3)	0.023 (4)	0.010 (3)	−0.002 (3)	0.004 (2)	0.001 (3)
O1	0.011 (2)	0.010 (3)	0.012 (3)	0.001 (2)	0.0006 (19)	−0.005 (2)
O2	0.009 (2)	0.009 (3)	0.011 (3)	0.003 (2)	0.0009 (19)	0.001 (2)
O3	0.011 (2)	0.010 (3)	0.014 (3)	−0.001 (2)	0.004 (2)	−0.001 (2)
O4	0.009 (2)	0.009 (3)	0.013 (3)	−0.001 (2)	0.0040 (19)	−0.003 (2)
O5	0.010 (2)	0.005 (3)	0.013 (3)	−0.001 (2)	0.0019 (19)	−0.001 (2)
O6	0.009 (2)	0.004 (3)	0.015 (3)	0.000 (2)	0.0019 (19)	0.002 (2)
O7	0.011 (2)	0.013 (3)	0.008 (3)	−0.001 (2)	0.0001 (19)	0.000 (2)
O8	0.011 (2)	0.011 (3)	0.007 (3)	−0.003 (2)	−0.0032 (19)	−0.001 (2)
O9	0.013 (3)	0.010 (3)	0.011 (3)	−0.003 (2)	0.001 (2)	−0.003 (2)
O10	0.013 (2)	0.008 (3)	0.008 (3)	−0.004 (2)	0.0040 (19)	0.003 (2)
O11	0.015 (3)	0.009 (3)	0.014 (3)	−0.005 (2)	−0.003 (2)	0.001 (2)
O12	0.015 (3)	0.015 (3)	0.015 (3)	0.003 (2)	−0.004 (2)	0.005 (2)
O13	0.013 (3)	0.017 (3)	0.020 (3)	−0.005 (2)	0.000 (2)	−0.001 (2)
O14	0.009 (2)	0.008 (3)	0.010 (3)	0.002 (2)	−0.0007 (19)	0.003 (2)
O15	0.011 (2)	0.014 (3)	0.008 (3)	0.000 (2)	0.0016 (19)	0.001 (2)
O16	0.011 (3)	0.019 (3)	0.017 (3)	0.000 (2)	−0.001 (2)	0.006 (2)
O17	0.013 (3)	0.015 (3)	0.016 (3)	−0.002 (2)	0.003 (2)	0.001 (2)
O18	0.011 (2)	0.013 (3)	0.012 (3)	−0.005 (2)	0.001 (2)	0.005 (2)
O19	0.009 (2)	0.019 (3)	0.014 (3)	0.002 (2)	−0.002 (2)	−0.002 (2)
O20	0.010 (2)	0.013 (3)	0.016 (3)	0.001 (2)	−0.003 (2)	−0.001 (2)
O21	0.014 (3)	0.011 (3)	0.010 (3)	0.003 (2)	0.0066 (19)	0.000 (2)
O22	0.014 (3)	0.014 (3)	0.017 (3)	0.002 (2)	−0.001 (2)	0.001 (2)
O23	0.013 (3)	0.011 (3)	0.015 (3)	0.002 (2)	0.000 (2)	−0.001 (2)
O24	0.012 (2)	0.007 (3)	0.012 (3)	−0.002 (2)	−0.003 (2)	0.001 (2)
O25	0.011 (2)	0.010 (3)	0.015 (3)	−0.004 (2)	0.001 (2)	0.003 (2)
O26	0.007 (2)	0.011 (3)	0.014 (3)	−0.002 (2)	0.0027 (19)	0.002 (2)
O27	0.012 (2)	0.007 (3)	0.007 (3)	0.001 (2)	−0.0031 (19)	0.001 (2)
O28	0.008 (2)	0.013 (3)	0.015 (3)	−0.003 (2)	−0.003 (2)	0.002 (2)
O29	0.008 (2)	0.010 (3)	0.011 (3)	0.002 (2)	0.0001 (19)	−0.003 (2)
O30	0.007 (2)	0.013 (3)	0.015 (3)	0.001 (2)	0.0040 (19)	−0.002 (2)
O31	0.008 (2)	0.018 (3)	0.007 (3)	−0.001 (2)	−0.0006 (19)	0.004 (2)
O32	0.009 (2)	0.016 (3)	0.010 (3)	0.007 (2)	0.000 (2)	0.005 (2)
O33	0.011 (2)	0.014 (3)	0.015 (3)	0.002 (2)	0.006 (2)	−0.003 (2)
O34	0.015 (3)	0.014 (3)	0.006 (3)	0.004 (2)	0.0015 (19)	0.001 (2)
O35	0.022 (3)	0.015 (3)	0.007 (3)	0.000 (2)	0.000 (2)	−0.004 (2)
O36	0.020 (3)	0.015 (3)	0.016 (3)	0.001 (2)	0.000 (2)	0.003 (2)
O37	0.009 (2)	0.008 (3)	0.009 (3)	−0.002 (2)	0.0002 (19)	−0.001 (2)
O38	0.008 (2)	0.016 (3)	0.010 (3)	−0.004 (2)	0.0040 (19)	0.000 (2)
O39	0.011 (2)	0.016 (3)	0.012 (3)	−0.002 (2)	0.000 (2)	−0.001 (2)
O40	0.007 (2)	0.017 (3)	0.023 (3)	0.000 (2)	0.001 (2)	−0.009 (2)
O41	0.014 (3)	0.012 (3)	0.018 (3)	0.001 (2)	0.000 (2)	−0.002 (2)
O42	0.008 (2)	0.015 (3)	0.015 (3)	0.002 (2)	−0.001 (2)	−0.001 (2)
O43	0.007 (2)	0.019 (3)	0.010 (3)	0.000 (2)	0.0021 (19)	−0.002 (2)
O44	0.009 (2)	0.014 (3)	0.011 (3)	−0.002 (2)	−0.0020 (19)	0.002 (2)
O45	0.016 (3)	0.015 (3)	0.020 (3)	0.001 (2)	0.001 (2)	−0.004 (2)
O46	0.022 (3)	0.013 (3)	0.024 (3)	0.001 (2)	0.007 (2)	0.006 (3)
P1	0.0099 (9)	0.0092 (10)	0.0076 (10)	0.0011 (8)	0.0008 (7)	0.0002 (8)
P2	0.0081 (9)	0.0118 (10)	0.0085 (10)	−0.0003 (8)	0.0014 (7)	0.0008 (8)
P3	0.0102 (9)	0.0102 (10)	0.0073 (10)	0.0007 (8)	0.0005 (7)	0.0006 (8)
P4	0.0076 (9)	0.0102 (10)	0.0090 (10)	−0.0005 (8)	0.0010 (7)	0.0000 (8)
O47	0.029 (3)	0.017 (4)	0.033 (4)	0.003 (3)	0.013 (3)	0.013 (3)
O48	0.019 (3)	0.022 (3)	0.016 (3)	−0.002 (2)	0.002 (2)	−0.006 (3)
O49	0.069 (5)	0.038 (5)	0.030 (4)	0.022 (4)	0.009 (3)	0.008 (3)
O50	0.042 (4)	0.028 (4)	0.054 (5)	0.005 (3)	−0.007 (4)	−0.001 (4)
O51	0.029 (3)	0.024 (4)	0.033 (4)	0.007 (3)	0.000 (3)	0.000 (3)

Geometric parameters (Å, º)

C1—N1	1.309 (9)	Mo10—O30	2.444 (5)
C1—N3	1.321 (8)	N1—H1A	0.88
C1—N2	1.372 (9)	N1—H1B	0.88
C2—N5	1.317 (9)	N2—H2A	0.883 (10)
C2—N4	1.327 (9)	N2—H2B	0.875 (10)
C2—N6	1.332 (9)	N3—H3A	0.88
C3—N8	1.309 (9)	N3—H3B	0.88
C3—N7	1.325 (9)	N4—H4A	0.88
C3—N9	1.335 (9)	N4—H4B	0.88
C4—N12	1.318 (10)	N5—H5A	0.88
C4—N10	1.328 (9)	N5—H5B	0.88
C4—N11	1.333 (9)	N6—H6A	0.88
C5—N14	1.314 (9)	N6—H6B	0.88
C5—N13	1.320 (9)	N7—H7A	0.88
C5—N15	1.336 (9)	N7—H7B	0.88
C6—N16	1.321 (9)	N8—H8A	0.88
C6—N17	1.325 (9)	N8—H8B	0.88
C6—N18	1.335 (9)	N9—H9A	0.88
C7—N20	1.309 (9)	N9—H9B	0.88
C7—N19	1.339 (9)	N10—H10A	0.876 (10)
C7—N21	1.346 (9)	N10—H10B	0.878 (10)
C8—N22	1.323 (9)	N11—H11A	0.88
C8—N24	1.324 (9)	N11—H11B	0.88
C8—N23	1.325 (9)	N12—H12A	0.88
C9—N25	1.323 (9)	N12—H12B	0.88
C9—N27	1.327 (9)	N13—H13A	0.88
C9—N26	1.334 (9)	N13—H13B	0.88
C10—N30	1.326 (9)	N14—H14A	0.88
C10—N28	1.328 (9)	N14—H14B	0.88
C10—N29	1.331 (9)	N15—H15A	0.88
Mo1—O23	1.716 (4)	N15—H15B	0.88
Mo1—O22	1.729 (5)	N16—H16A	0.88
Mo1—O10	1.912 (4)	N16—H16B	0.88
Mo1—O2	1.915 (5)	N17—H17A	0.88
Mo1—O1	2.221 (5)	N17—H17B	0.88
Mo1—O7	2.337 (4)	N18—H18A	0.88
Mo2—O20	1.700 (4)	N18—H18B	0.88
Mo2—O21	1.712 (5)	N19—H19A	0.88
Mo2—O4	1.924 (5)	N19—H19B	0.88
Mo2—O2	1.944 (5)	N20—H20A	0.88
Mo2—O3	2.205 (4)	N20—H20B	0.88
Mo2—O1	2.324 (5)	N21—H21A	0.88
Mo3—O18	1.693 (5)	N21—H21B	0.88
Mo3—O19	1.720 (5)	N22—H22A	0.88
Mo3—O5	1.906 (4)	N22—H22B	0.88
Mo3—O4	1.952 (4)	N23—H23A	0.88
Mo3—O14	2.212 (5)	N23—H23B	0.88
Mo3—O3	2.405 (5)	N24—H24A	0.88
Mo4—O17	1.709 (5)	N24—H24B	0.88
Mo4—O16	1.712 (4)	N25—H25A	0.88
Mo4—O5	1.920 (5)	N25—H25B	0.88
Mo4—O11	1.964 (5)	N26—H26A	0.88
Mo4—O8	2.207 (5)	N26—H26B	0.88
Mo4—O6	2.279 (4)	N27—H27A	0.88
Mo5—O13	1.696 (5)	N27—H27B	0.88
Mo5—O12	1.722 (5)	N28—H28A	0.88
Mo5—O11	1.908 (4)	N28—H28B	0.88
Mo5—O10	1.948 (4)	N29—H29A	0.88
Mo5—O6	2.190 (5)	N29—H29B	0.88
Mo5—O7	2.438 (5)	N30—H30A	0.88
Mo6—O46	1.711 (5)	N30—H30B	0.88
Mo6—O45	1.725 (5)	O1—P2	1.568 (5)
Mo6—O25	1.910 (5)	O3—P1	1.537 (5)
Mo6—O33	1.923 (5)	O6—P2	1.561 (5)
Mo6—O24	2.295 (5)	O7—P1	1.548 (5)
Mo6—O30	2.307 (4)	O8—P1	1.518 (5)
Mo7—O44	1.713 (5)	O9—P1	1.560 (5)
Mo7—O43	1.718 (4)	O9—H9	0.84
Mo7—O27	1.913 (5)	O14—P2	1.523 (5)
Mo7—O25	1.966 (5)	O15—P2	1.511 (5)
Mo7—O26	2.181 (4)	O24—P4	1.550 (5)
Mo7—O24	2.341 (5)	O26—P3	1.547 (5)
Mo8—O42	1.686 (5)	O29—P4	1.563 (5)
Mo8—O41	1.715 (5)	O30—P3	1.544 (5)
Mo8—O27	1.932 (4)	O31—P3	1.514 (5)
Mo8—O28	1.950 (4)	O32—P3	1.548 (5)
Mo8—O37	2.222 (5)	O32—H32	0.84
Mo8—O26	2.346 (5)	O37—P4	1.530 (5)
Mo9—O39	1.710 (5)	O38—P4	1.514 (5)
Mo9—O40	1.719 (4)	O47—H47W	0.80 (10)
Mo9—O28	1.908 (5)	O47—H47X	0.97 (10)
Mo9—O34	1.956 (5)	O48—H48W	0.818 (10)
Mo9—O31	2.216 (5)	O48—H48X	0.819 (10)
Mo9—O29	2.312 (4)	O49—H49W	0.816 (10)
Mo10—O35	1.700 (5)	O49—H49X	0.816 (10)
Mo10—O36	1.736 (5)	O50—H50W	0.820 (10)
Mo10—O34	1.909 (5)	O50—H50X	0.817 (10)
Mo10—O33	1.932 (4)	O51—H51W	0.820 (10)
Mo10—O29	2.176 (5)	O51—H51X	0.821 (10)
N1—C1—N3	121.2 (7)	O34—Mo10—O33	151.5 (2)
N1—C1—N2	119.3 (6)	O35—Mo10—O29	98.0 (2)
N3—C1—N2	119.5 (7)	O36—Mo10—O29	157.4 (2)
N5—C2—N4	120.1 (7)	O34—Mo10—O29	73.42 (18)
N5—C2—N6	120.3 (7)	O33—Mo10—O29	82.03 (19)
N4—C2—N6	119.6 (7)	O35—Mo10—O30	164.61 (19)
N8—C3—N7	121.0 (7)	O36—Mo10—O30	87.3 (2)
N8—C3—N9	120.5 (7)	O34—Mo10—O30	87.22 (18)
N7—C3—N9	118.6 (7)	O33—Mo10—O30	71.08 (17)
N12—C4—N10	120.6 (7)	O29—Mo10—O30	71.10 (17)
N12—C4—N11	120.3 (7)	C1—N1—H1A	120
N10—C4—N11	119.1 (7)	C1—N1—H1B	120
N14—C5—N13	120.6 (7)	H1A—N1—H1B	120
N14—C5—N15	118.7 (7)	C1—N2—H2A	117 (2)
N13—C5—N15	120.7 (7)	C1—N2—H2B	118 (2)
N16—C6—N17	121.0 (7)	H2A—N2—H2B	120 (2)
N16—C6—N18	120.7 (7)	C1—N3—H3A	120
N17—C6—N18	118.3 (7)	C1—N3—H3B	120
N20—C7—N19	121.5 (6)	H3A—N3—H3B	120
N20—C7—N21	120.1 (7)	C2—N4—H4A	120
N19—C7—N21	118.3 (7)	C2—N4—H4B	120
N22—C8—N24	120.8 (7)	H4A—N4—H4B	120
N22—C8—N23	119.4 (7)	C2—N5—H5A	120
N24—C8—N23	119.8 (7)	C2—N5—H5B	120
N25—C9—N27	119.3 (6)	H5A—N5—H5B	120
N25—C9—N26	121.4 (6)	C2—N6—H6A	120
N27—C9—N26	119.3 (7)	C2—N6—H6B	120
N30—C10—N28	121.1 (7)	H6A—N6—H6B	120
N30—C10—N29	119.4 (7)	C3—N7—H7A	120
N28—C10—N29	119.5 (6)	C3—N7—H7B	120
O23—Mo1—O22	103.3 (2)	H7A—N7—H7B	120
O23—Mo1—O10	100.7 (2)	C3—N8—H8A	120
O22—Mo1—O10	98.3 (2)	C3—N8—H8B	120
O23—Mo1—O2	101.6 (2)	H8A—N8—H8B	120
O22—Mo1—O2	99.4 (2)	C3—N9—H9A	120
O10—Mo1—O2	147.33 (19)	C3—N9—H9B	120
O23—Mo1—O1	87.9 (2)	H9A—N9—H9B	120
O22—Mo1—O1	168.37 (19)	C4—N10—H10A	116 (3)
O10—Mo1—O1	82.56 (19)	C4—N10—H10B	116 (3)
O2—Mo1—O1	74.76 (19)	H10A—N10—H10B	121 (2)
O23—Mo1—O7	168.4 (2)	C4—N11—H11A	120
O22—Mo1—O7	87.82 (19)	C4—N11—H11B	120
O10—Mo1—O7	74.16 (17)	H11A—N11—H11B	120
O2—Mo1—O7	79.34 (17)	C4—N12—H12A	120
O1—Mo1—O7	81.25 (16)	C4—N12—H12B	120
O20—Mo2—O21	104.1 (2)	H12A—N12—H12B	120
O20—Mo2—O4	98.0 (2)	C5—N13—H13A	120
O21—Mo2—O4	100.9 (2)	C5—N13—H13B	120
O20—Mo2—O2	98.2 (2)	H13A—N13—H13B	120
O21—Mo2—O2	95.1 (2)	C5—N14—H14A	120
O4—Mo2—O2	153.69 (19)	C5—N14—H14B	120
O20—Mo2—O3	160.0 (2)	H14A—N14—H14B	120
O21—Mo2—O3	95.57 (19)	C5—N15—H15A	120
O4—Mo2—O3	74.03 (18)	C5—N15—H15B	120
O2—Mo2—O3	83.79 (18)	H15A—N15—H15B	120
O20—Mo2—O1	88.8 (2)	C6—N16—H16A	120
O21—Mo2—O1	163.0 (2)	C6—N16—H16B	120
O4—Mo2—O1	87.96 (18)	H16A—N16—H16B	120
O2—Mo2—O1	71.82 (18)	C6—N17—H17A	120
O3—Mo2—O1	72.77 (16)	C6—N17—H17B	120
O18—Mo3—O19	101.8 (2)	H17A—N17—H17B	120
O18—Mo3—O5	104.6 (2)	C6—N18—H18A	120
O19—Mo3—O5	99.2 (2)	C6—N18—H18B	120
O18—Mo3—O4	101.2 (2)	H18A—N18—H18B	120
O19—Mo3—O4	96.7 (2)	C7—N19—H19A	120
O5—Mo3—O4	146.0 (2)	C7—N19—H19B	120
O18—Mo3—O14	85.7 (2)	H19A—N19—H19B	120
O19—Mo3—O14	171.8 (2)	C7—N20—H20A	120
O5—Mo3—O14	81.77 (18)	C7—N20—H20B	120
O4—Mo3—O14	78.48 (17)	H20A—N20—H20B	120
O18—Mo3—O3	168.56 (18)	C7—N21—H21A	120
O19—Mo3—O3	85.6 (2)	C7—N21—H21B	120
O5—Mo3—O3	82.49 (18)	H21A—N21—H21B	120
O4—Mo3—O3	69.00 (17)	C8—N22—H22A	120
O14—Mo3—O3	86.41 (17)	C8—N22—H22B	120
O17—Mo4—O16	102.9 (2)	H22A—N22—H22B	120
O17—Mo4—O5	100.9 (2)	C8—N23—H23A	120
O16—Mo4—O5	101.0 (2)	C8—N23—H23B	120
O17—Mo4—O11	97.9 (2)	H23A—N23—H23B	120
O16—Mo4—O11	99.8 (2)	C8—N24—H24A	120
O5—Mo4—O11	147.93 (19)	C8—N24—H24B	120
O17—Mo4—O8	170.0 (2)	H24A—N24—H24B	120
O16—Mo4—O8	86.4 (2)	C9—N25—H25A	120
O5—Mo4—O8	80.43 (18)	C9—N25—H25B	120
O11—Mo4—O8	76.80 (19)	H25A—N25—H25B	120
O17—Mo4—O6	84.59 (19)	C9—N26—H26A	120
O16—Mo4—O6	168.1 (2)	C9—N26—H26B	120
O5—Mo4—O6	86.41 (17)	H26A—N26—H26B	120
O11—Mo4—O6	69.71 (17)	C9—N27—H27A	120
O8—Mo4—O6	85.64 (16)	C9—N27—H27B	120
O13—Mo5—O12	104.4 (2)	H27A—N27—H27B	120
O13—Mo5—O11	100.0 (2)	C10—N28—H28A	120
O12—Mo5—O11	100.2 (2)	C10—N28—H28B	120
O13—Mo5—O10	98.3 (2)	H28A—N28—H28B	120
O12—Mo5—O10	96.35 (19)	C10—N29—H29A	120
O11—Mo5—O10	151.4 (2)	C10—N29—H29B	120
O13—Mo5—O6	154.7 (2)	H29A—N29—H29B	120
O12—Mo5—O6	100.7 (2)	C10—N30—H30A	120
O11—Mo5—O6	72.66 (18)	C10—N30—H30B	120
O10—Mo5—O6	81.45 (18)	H30A—N30—H30B	120
O13—Mo5—O7	84.9 (2)	P2—O1—Mo1	124.8 (3)
O12—Mo5—O7	165.66 (19)	P2—O1—Mo2	130.0 (3)
O11—Mo5—O7	88.70 (18)	Mo1—O1—Mo2	94.07 (17)
O10—Mo5—O7	71.20 (17)	Mo1—O2—Mo2	119.1 (2)
O6—Mo5—O7	71.02 (17)	P1—O3—Mo2	129.9 (3)
O46—Mo6—O45	102.6 (2)	P1—O3—Mo3	133.9 (3)
O46—Mo6—O25	100.7 (2)	Mo2—O3—Mo3	94.56 (17)
O45—Mo6—O25	101.0 (2)	Mo2—O4—Mo3	121.9 (2)
O46—Mo6—O33	100.2 (2)	Mo3—O5—Mo4	146.6 (3)
O45—Mo6—O33	100.2 (2)	P2—O6—Mo5	127.8 (3)
O25—Mo6—O33	145.9 (2)	P2—O6—Mo4	134.8 (3)
O46—Mo6—O24	169.7 (2)	Mo5—O6—Mo4	97.33 (17)
O45—Mo6—O24	87.2 (2)	P1—O7—Mo1	127.6 (3)
O25—Mo6—O24	74.07 (19)	P1—O7—Mo5	124.3 (3)
O33—Mo6—O24	80.75 (19)	Mo1—O7—Mo5	90.89 (16)
O46—Mo6—O30	88.1 (2)	P1—O8—Mo4	122.1 (3)
O45—Mo6—O30	168.8 (2)	P1—O9—H9	109.5
O25—Mo6—O30	79.68 (17)	Mo1—O10—Mo5	123.7 (2)
O33—Mo6—O30	74.47 (18)	Mo5—O11—Mo4	120.2 (2)
O24—Mo6—O30	82.27 (16)	P2—O14—Mo3	124.1 (3)
O44—Mo7—O43	105.4 (2)	P4—O24—Mo6	124.5 (3)
O44—Mo7—O27	100.9 (2)	P4—O24—Mo7	128.2 (3)
O43—Mo7—O27	99.8 (2)	Mo6—O24—Mo7	93.11 (17)
O44—Mo7—O25	94.8 (2)	Mo6—O25—Mo7	120.6 (2)
O43—Mo7—O25	97.7 (2)	P3—O26—Mo7	128.5 (3)
O27—Mo7—O25	152.44 (19)	P3—O26—Mo8	135.2 (3)
O44—Mo7—O26	96.99 (19)	Mo7—O26—Mo8	95.80 (17)
O43—Mo7—O26	157.4 (2)	Mo7—O27—Mo8	121.9 (2)
O27—Mo7—O26	73.16 (18)	Mo9—O28—Mo8	145.3 (3)
O25—Mo7—O26	82.60 (18)	P4—O29—Mo10	128.0 (3)
O44—Mo7—O24	163.62 (19)	P4—O29—Mo9	135.3 (3)
O43—Mo7—O24	86.41 (19)	Mo10—O29—Mo9	96.64 (16)
O27—Mo7—O24	87.91 (18)	P3—O30—Mo6	125.5 (3)
O25—Mo7—O24	72.05 (18)	P3—O30—Mo10	125.3 (3)
O26—Mo7—O24	72.14 (16)	Mo6—O30—Mo10	91.06 (16)
O42—Mo8—O41	103.1 (2)	P3—O31—Mo9	122.5 (3)
O42—Mo8—O27	100.9 (2)	P3—O32—H32	109.5
O41—Mo8—O27	100.7 (2)	Mo6—O33—Mo10	123.3 (2)
O42—Mo8—O28	102.3 (2)	Mo10—O34—Mo9	120.4 (2)
O41—Mo8—O28	97.3 (2)	P4—O37—Mo8	123.9 (3)
O27—Mo8—O28	146.3 (2)	O8—P1—O3	109.9 (3)
O42—Mo8—O37	84.8 (2)	O8—P1—O7	110.6 (3)
O41—Mo8—O37	172.1 (2)	O3—P1—O7	110.8 (3)
O27—Mo8—O37	77.79 (18)	O8—P1—O9	110.5 (3)
O28—Mo8—O37	80.48 (18)	O3—P1—O9	104.3 (3)
O42—Mo8—O26	166.93 (19)	O7—P1—O9	110.5 (3)
O41—Mo8—O26	87.4 (2)	O15—P2—O14	110.3 (3)
O27—Mo8—O26	69.06 (17)	O15—P2—O6	110.2 (3)
O28—Mo8—O26	83.71 (18)	O14—P2—O6	106.7 (3)
O37—Mo8—O26	84.83 (17)	O15—P2—O1	112.0 (3)
O39—Mo9—O40	101.7 (2)	O14—P2—O1	108.4 (3)
O39—Mo9—O28	99.1 (2)	O6—P2—O1	109.1 (3)
O40—Mo9—O28	103.2 (2)	O31—P3—O30	109.8 (3)
O39—Mo9—O34	98.1 (2)	O31—P3—O26	108.2 (3)
O40—Mo9—O34	98.8 (2)	O30—P3—O26	111.8 (3)
O28—Mo9—O34	148.57 (19)	O31—P3—O32	111.7 (3)
O39—Mo9—O31	169.70 (19)	O30—P3—O32	110.8 (3)
O40—Mo9—O31	88.3 (2)	O26—P3—O32	104.3 (3)
O28—Mo9—O31	80.80 (19)	O38—P4—O37	110.3 (3)
O34—Mo9—O31	77.69 (19)	O38—P4—O24	111.3 (3)
O39—Mo9—O29	84.75 (19)	O37—P4—O24	109.8 (3)
O40—Mo9—O29	167.5 (2)	O38—P4—O29	109.8 (3)
O28—Mo9—O29	86.06 (18)	O37—P4—O29	105.6 (3)
O34—Mo9—O29	69.53 (17)	O24—P4—O29	109.9 (3)
O31—Mo9—O29	84.97 (17)	H47W—O47—H47X	126 (9)
O35—Mo10—O36	104.5 (2)	H48W—O48—H48X	109.9 (19)
O35—Mo10—O34	100.3 (2)	H49W—O49—H49X	110.8 (19)
O36—Mo10—O34	99.6 (2)	H50W—O50—H50X	109.8 (19)
O35—Mo10—O33	97.2 (2)	H51W—O51—H51X	109.4 (19)
O36—Mo10—O33	97.6 (2)
O23—Mo1—O1—P2	−114.4 (3)	O44—Mo7—O26—P3	−85.2 (4)
O22—Mo1—O1—P2	81.8 (11)	O43—Mo7—O26—P3	100.9 (6)
O10—Mo1—O1—P2	−13.3 (3)	O27—Mo7—O26—P3	175.5 (4)
O2—Mo1—O1—P2	143.0 (3)	O25—Mo7—O26—P3	8.7 (3)
O7—Mo1—O1—P2	61.8 (3)	O24—Mo7—O26—P3	82.2 (4)
O23—Mo1—O1—Mo2	99.1 (2)	O44—Mo7—O26—Mo8	101.5 (2)
O22—Mo1—O1—Mo2	−64.7 (10)	O43—Mo7—O26—Mo8	−72.4 (6)
O10—Mo1—O1—Mo2	−159.79 (18)	O27—Mo7—O26—Mo8	2.18 (17)
O2—Mo1—O1—Mo2	−3.52 (15)	O25—Mo7—O26—Mo8	−164.6 (2)
O7—Mo1—O1—Mo2	−84.77 (16)	O24—Mo7—O26—Mo8	−91.11 (18)
O20—Mo2—O1—P2	120.7 (4)	O42—Mo8—O26—P3	−133.3 (8)
O21—Mo2—O1—P2	−99.4 (7)	O41—Mo8—O26—P3	82.7 (4)
O4—Mo2—O1—P2	22.6 (3)	O27—Mo8—O26—P3	−174.8 (4)
O2—Mo2—O1—P2	−140.3 (4)	O28—Mo8—O26—P3	−14.9 (4)
O3—Mo2—O1—P2	−51.3 (3)	O37—Mo8—O26—P3	−95.9 (4)
O20—Mo2—O1—Mo1	−95.5 (2)	O42—Mo8—O26—Mo7	39.2 (9)
O21—Mo2—O1—Mo1	44.4 (7)	O41—Mo8—O26—Mo7	−104.7 (2)
O4—Mo2—O1—Mo1	166.42 (18)	O27—Mo8—O26—Mo7	−2.21 (18)
O2—Mo2—O1—Mo1	3.52 (15)	O28—Mo8—O26—Mo7	157.6 (2)
O3—Mo2—O1—Mo1	92.52 (18)	O37—Mo8—O26—Mo7	76.68 (17)
O23—Mo1—O2—Mo2	−79.7 (3)	O44—Mo7—O27—Mo8	−97.2 (3)
O22—Mo1—O2—Mo2	174.5 (2)	O43—Mo7—O27—Mo8	154.9 (3)
O10—Mo1—O2—Mo2	52.5 (5)	O25—Mo7—O27—Mo8	26.3 (6)
O1—Mo1—O2—Mo2	4.8 (2)	O26—Mo7—O27—Mo8	−3.1 (2)
O7—Mo1—O2—Mo2	88.5 (2)	O24—Mo7—O27—Mo8	68.9 (3)
O20—Mo2—O2—Mo1	81.4 (3)	O42—Mo8—O27—Mo7	−168.3 (3)
O21—Mo2—O2—Mo1	−173.6 (2)	O41—Mo8—O27—Mo7	85.9 (3)
O4—Mo2—O2—Mo1	−46.2 (5)	O28—Mo8—O27—Mo7	−35.2 (5)
O3—Mo2—O2—Mo1	−78.5 (2)	O37—Mo8—O27—Mo7	−86.1 (3)
O1—Mo2—O2—Mo1	−4.7 (2)	O26—Mo8—O27—Mo7	3.0 (2)
O20—Mo2—O3—P1	−102.2 (7)	O39—Mo9—O28—Mo8	−108.3 (5)
O21—Mo2—O3—P1	89.2 (4)	O40—Mo9—O28—Mo8	147.3 (5)
O4—Mo2—O3—P1	−171.0 (4)	O34—Mo9—O28—Mo8	14.0 (7)
O2—Mo2—O3—P1	−5.3 (4)	O31—Mo9—O28—Mo8	61.2 (5)
O1—Mo2—O3—P1	−78.2 (4)	O29—Mo9—O28—Mo8	−24.3 (5)
O20—Mo2—O3—Mo3	64.4 (7)	O42—Mo8—O28—Mo9	136.5 (5)
O21—Mo2—O3—Mo3	−104.2 (2)	O41—Mo8—O28—Mo9	−118.3 (5)
O4—Mo2—O3—Mo3	−4.40 (17)	O27—Mo8—O28—Mo9	3.7 (7)
O2—Mo2—O3—Mo3	161.31 (19)	O37—Mo8—O28—Mo9	54.0 (5)
O1—Mo2—O3—Mo3	88.46 (18)	O26—Mo8—O28—Mo9	−31.8 (5)
O18—Mo3—O3—P1	137.9 (9)	O35—Mo10—O29—P4	−83.2 (4)
O19—Mo3—O3—P1	−90.8 (4)	O36—Mo10—O29—P4	103.7 (6)
O5—Mo3—O3—P1	9.1 (4)	O34—Mo10—O29—P4	178.4 (4)
O4—Mo3—O3—P1	170.2 (4)	O33—Mo10—O29—P4	13.0 (3)
O14—Mo3—O3—P1	91.2 (4)	O30—Mo10—O29—P4	85.6 (3)
O18—Mo3—O3—Mo2	−27.9 (11)	O35—Mo10—O29—Mo9	99.8 (2)
O19—Mo3—O3—Mo2	103.4 (2)	O36—Mo10—O29—Mo9	−73.3 (5)
O5—Mo3—O3—Mo2	−156.7 (2)	O34—Mo10—O29—Mo9	1.36 (18)
O4—Mo3—O3—Mo2	4.47 (17)	O33—Mo10—O29—Mo9	−164.1 (2)
O14—Mo3—O3—Mo2	−74.56 (17)	O30—Mo10—O29—Mo9	−91.41 (18)
O20—Mo2—O4—Mo3	−154.8 (3)	O39—Mo9—O29—P4	81.3 (4)
O21—Mo2—O4—Mo3	99.1 (3)	O40—Mo9—O29—P4	−156.9 (8)
O2—Mo2—O4—Mo3	−27.2 (6)	O28—Mo9—O29—P4	−18.2 (4)
O3—Mo2—O4—Mo3	6.4 (2)	O34—Mo9—O29—P4	−178.0 (4)
O1—Mo2—O4—Mo3	−66.3 (3)	O31—Mo9—O29—P4	−99.3 (4)
O18—Mo3—O4—Mo2	167.8 (3)	O39—Mo9—O29—Mo10	−102.0 (2)
O19—Mo3—O4—Mo2	−88.7 (3)	O40—Mo9—O29—Mo10	19.8 (10)
O5—Mo3—O4—Mo2	28.9 (5)	O28—Mo9—O29—Mo10	158.5 (2)
O14—Mo3—O4—Mo2	84.5 (3)	O34—Mo9—O29—Mo10	−1.36 (18)
O3—Mo3—O4—Mo2	−6.0 (2)	O31—Mo9—O29—Mo10	77.36 (19)
O18—Mo3—O5—Mo4	−131.6 (5)	O46—Mo6—O30—P3	124.6 (4)
O19—Mo3—O5—Mo4	123.6 (5)	O45—Mo6—O30—P3	−71.2 (11)
O4—Mo3—O5—Mo4	6.7 (7)	O25—Mo6—O30—P3	23.4 (3)
O14—Mo3—O5—Mo4	−48.2 (5)	O33—Mo6—O30—P3	−134.2 (4)
O3—Mo3—O5—Mo4	39.3 (5)	O24—Mo6—O30—P3	−51.7 (3)
O17—Mo4—O5—Mo3	102.4 (5)	O46—Mo6—O30—Mo10	−99.1 (2)
O16—Mo4—O5—Mo3	−152.0 (5)	O45—Mo6—O30—Mo10	65.1 (11)
O11—Mo4—O5—Mo3	−22.5 (7)	O25—Mo6—O30—Mo10	159.7 (2)
O8—Mo4—O5—Mo3	−67.6 (5)	O33—Mo6—O30—Mo10	2.12 (18)
O6—Mo4—O5—Mo3	18.6 (5)	O24—Mo6—O30—Mo10	84.61 (17)
O13—Mo5—O6—P2	−102.6 (5)	O35—Mo10—O30—P3	92.8 (8)
O12—Mo5—O6—P2	83.6 (4)	O36—Mo10—O30—P3	−126.7 (3)
O11—Mo5—O6—P2	−178.9 (4)	O34—Mo10—O30—P3	−27.0 (3)
O10—Mo5—O6—P2	−11.2 (3)	O33—Mo10—O30—P3	134.3 (4)
O7—Mo5—O6—P2	−84.2 (3)	O29—Mo10—O30—P3	46.4 (3)
O13—Mo5—O6—Mo4	73.9 (5)	O35—Mo10—O30—Mo6	−43.6 (8)
O12—Mo5—O6—Mo4	−99.9 (2)	O36—Mo10—O30—Mo6	96.9 (2)
O11—Mo5—O6—Mo4	−2.43 (18)	O34—Mo10—O30—Mo6	−163.42 (19)
O10—Mo5—O6—Mo4	165.3 (2)	O33—Mo10—O30—Mo6	−2.15 (18)
O7—Mo5—O6—Mo4	92.29 (18)	O29—Mo10—O30—Mo6	−89.99 (17)
O17—Mo4—O6—P2	−81.0 (4)	O39—Mo9—O31—P3	15.8 (14)
O16—Mo4—O6—P2	149.3 (9)	O40—Mo9—O31—P3	−178.1 (4)
O5—Mo4—O6—P2	20.3 (4)	O28—Mo9—O31—P3	−74.4 (3)
O11—Mo4—O6—P2	178.5 (4)	O34—Mo9—O31—P3	82.5 (3)
O8—Mo4—O6—P2	101.0 (4)	O29—Mo9—O31—P3	12.4 (3)
O17—Mo4—O6—Mo5	102.9 (2)	O46—Mo6—O33—Mo10	81.9 (3)
O16—Mo4—O6—Mo5	−26.8 (11)	O45—Mo6—O33—Mo10	−173.1 (3)
O5—Mo4—O6—Mo5	−155.8 (2)	O25—Mo6—O33—Mo10	−45.2 (5)
O11—Mo4—O6—Mo5	2.41 (18)	O24—Mo6—O33—Mo10	−87.7 (3)
O8—Mo4—O6—Mo5	−75.12 (19)	O30—Mo6—O33—Mo10	−3.2 (3)
O23—Mo1—O7—P1	69.4 (11)	O35—Mo10—O33—Mo6	172.9 (3)
O22—Mo1—O7—P1	−126.2 (4)	O36—Mo10—O33—Mo6	−81.4 (3)
O10—Mo1—O7—P1	134.5 (4)	O34—Mo10—O33—Mo6	45.4 (6)
O2—Mo1—O7—P1	−26.2 (3)	O29—Mo10—O33—Mo6	75.8 (3)
O1—Mo1—O7—P1	49.8 (3)	O30—Mo10—O33—Mo6	3.1 (3)
O23—Mo1—O7—Mo5	−66.9 (11)	O35—Mo10—O34—Mo9	−97.2 (3)
O22—Mo1—O7—Mo5	97.5 (2)	O36—Mo10—O34—Mo9	156.1 (3)
O10—Mo1—O7—Mo5	−1.76 (17)	O33—Mo10—O34—Mo9	29.7 (6)
O2—Mo1—O7—Mo5	−162.5 (2)	O29—Mo10—O34—Mo9	−1.9 (2)
O1—Mo1—O7—Mo5	−86.45 (17)	O30—Mo10—O34—Mo9	69.3 (3)
O13—Mo5—O7—P1	122.7 (3)	O39—Mo9—O34—Mo10	83.1 (3)
O12—Mo5—O7—P1	−106.1 (8)	O40—Mo9—O34—Mo10	−173.7 (3)
O11—Mo5—O7—P1	22.6 (3)	O28—Mo9—O34—Mo10	−39.5 (5)
O10—Mo5—O7—P1	−136.7 (3)	O31—Mo9—O34—Mo10	−87.4 (3)
O6—Mo5—O7—P1	−49.5 (3)	O29—Mo9—O34—Mo10	1.8 (2)
O13—Mo5—O7—Mo1	−98.8 (2)	O42—Mo8—O37—P4	−179.3 (3)
O12—Mo5—O7—Mo1	32.4 (9)	O41—Mo8—O37—P4	−1.6 (15)
O11—Mo5—O7—Mo1	161.04 (19)	O27—Mo8—O37—P4	78.2 (3)
O10—Mo5—O7—Mo1	1.76 (17)	O28—Mo8—O37—P4	−75.9 (3)
O6—Mo5—O7—Mo1	88.95 (17)	O26—Mo8—O37—P4	8.6 (3)
O17—Mo4—O8—P1	−26.0 (14)	Mo4—O8—P1—O3	−58.6 (4)
O16—Mo4—O8—P1	174.3 (4)	Mo4—O8—P1—O7	64.0 (4)
O5—Mo4—O8—P1	72.5 (3)	Mo4—O8—P1—O9	−173.2 (3)
O11—Mo4—O8—P1	−84.7 (3)	Mo2—O3—P1—O8	169.2 (3)
O6—Mo4—O8—P1	−14.6 (3)	Mo3—O3—P1—O8	7.8 (5)
O23—Mo1—O10—Mo5	172.0 (3)	Mo2—O3—P1—O7	46.7 (4)
O22—Mo1—O10—Mo5	−82.7 (3)	Mo3—O3—P1—O7	−114.7 (4)
O2—Mo1—O10—Mo5	39.6 (5)	Mo2—O3—P1—O9	−72.3 (4)
O1—Mo1—O10—Mo5	85.6 (3)	Mo3—O3—P1—O9	126.4 (4)
O7—Mo1—O10—Mo5	2.6 (3)	Mo1—O7—P1—O8	−148.2 (3)
O13—Mo5—O10—Mo1	79.1 (3)	Mo5—O7—P1—O8	−24.9 (4)
O12—Mo5—O10—Mo1	−175.3 (3)	Mo1—O7—P1—O3	−26.0 (4)
O11—Mo5—O10—Mo1	−50.2 (6)	Mo5—O7—P1—O3	97.2 (3)
O6—Mo5—O10—Mo1	−75.3 (3)	Mo1—O7—P1—O9	89.1 (4)
O7—Mo5—O10—Mo1	−2.6 (3)	Mo5—O7—P1—O9	−147.7 (3)
O13—Mo5—O11—Mo4	−151.8 (3)	Mo3—O14—P2—O15	−178.9 (3)
O12—Mo5—O11—Mo4	101.4 (3)	Mo3—O14—P2—O6	−59.2 (3)
O10—Mo5—O11—Mo4	−22.9 (6)	Mo3—O14—P2—O1	58.1 (3)
O6—Mo5—O11—Mo4	3.2 (2)	Mo5—O6—P2—O15	−63.9 (4)
O7—Mo5—O11—Mo4	−67.3 (3)	Mo4—O6—P2—O15	121.0 (4)
O17—Mo4—O11—Mo5	−84.4 (3)	Mo5—O6—P2—O14	176.4 (3)
O16—Mo4—O11—Mo5	171.0 (3)	Mo4—O6—P2—O14	1.3 (5)
O5—Mo4—O11—Mo5	41.1 (5)	Mo5—O6—P2—O1	59.5 (4)
O8—Mo4—O11—Mo5	87.0 (3)	Mo4—O6—P2—O1	−115.6 (4)
O6—Mo4—O11—Mo5	−3.2 (2)	Mo1—O1—P2—O15	80.7 (4)
O18—Mo3—O14—P2	178.1 (3)	Mo2—O1—P2—O15	−145.2 (3)
O19—Mo3—O14—P2	−24.6 (15)	Mo1—O1—P2—O14	−157.4 (3)
O5—Mo3—O14—P2	72.7 (3)	Mo2—O1—P2—O14	−23.3 (4)
O4—Mo3—O14—P2	−79.5 (3)	Mo1—O1—P2—O6	−41.6 (4)
O3—Mo3—O14—P2	−10.2 (3)	Mo2—O1—P2—O6	92.5 (4)
O46—Mo6—O24—P4	−78.7 (12)	Mo9—O31—P3—O30	−63.7 (4)
O45—Mo6—O24—P4	118.6 (3)	Mo9—O31—P3—O26	58.6 (4)
O25—Mo6—O24—P4	−139.1 (3)	Mo9—O31—P3—O32	172.9 (3)
O33—Mo6—O24—P4	17.7 (3)	Mo6—O30—P3—O31	151.0 (3)
O30—Mo6—O24—P4	−57.7 (3)	Mo10—O30—P3—O31	28.9 (4)
O46—Mo6—O24—Mo7	63.4 (12)	Mo6—O30—P3—O26	30.9 (4)
O45—Mo6—O24—Mo7	−99.3 (2)	Mo10—O30—P3—O26	−91.3 (3)
O25—Mo6—O24—Mo7	2.99 (15)	Mo6—O30—P3—O32	−85.0 (4)
O33—Mo6—O24—Mo7	159.83 (19)	Mo10—O30—P3—O32	152.8 (3)
O30—Mo6—O24—Mo7	84.41 (16)	Mo7—O26—P3—O31	−173.8 (3)
O44—Mo7—O24—P4	99.1 (7)	Mo8—O26—P3—O31	−3.3 (5)
O43—Mo7—O24—P4	−123.8 (3)	Mo7—O26—P3—O30	−52.8 (4)
O27—Mo7—O24—P4	−23.9 (3)	Mo8—O26—P3—O30	117.8 (4)
O25—Mo7—O24—P4	137.0 (3)	Mo7—O26—P3—O32	67.1 (4)
O26—Mo7—O24—P4	49.1 (3)	Mo8—O26—P3—O32	−122.4 (4)
O44—Mo7—O24—Mo6	−40.8 (7)	Mo8—O37—P4—O38	179.3 (3)
O43—Mo7—O24—Mo6	96.3 (2)	Mo8—O37—P4—O24	−57.7 (3)
O27—Mo7—O24—Mo6	−163.74 (17)	Mo8—O37—P4—O29	60.8 (3)
O25—Mo7—O24—Mo6	−2.94 (15)	Mo6—O24—P4—O38	−84.8 (3)
O26—Mo7—O24—Mo6	−90.77 (18)	Mo7—O24—P4—O38	146.6 (3)
O46—Mo6—O25—Mo7	−175.0 (3)	Mo6—O24—P4—O37	152.8 (3)
O45—Mo6—O25—Mo7	79.7 (3)	Mo7—O24—P4—O37	24.1 (4)
O33—Mo6—O25—Mo7	−48.0 (5)	Mo6—O24—P4—O29	37.0 (4)
O24—Mo6—O25—Mo7	−4.1 (2)	Mo7—O24—P4—O29	−91.7 (3)
O30—Mo6—O25—Mo7	−89.0 (3)	Mo10—O29—P4—O38	63.3 (4)
O44—Mo7—O25—Mo6	174.1 (3)	Mo9—O29—P4—O38	−120.9 (4)
O43—Mo7—O25—Mo6	−79.6 (3)	Mo10—O29—P4—O37	−177.8 (3)
O27—Mo7—O25—Mo6	49.4 (5)	Mo9—O29—P4—O37	−2.0 (5)
O26—Mo7—O25—Mo6	77.7 (2)	Mo10—O29—P4—O24	−59.4 (4)
O24—Mo7—O25—Mo6	4.1 (2)	Mo9—O29—P4—O24	116.4 (4)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O9—H9···O15^i	0.84	1.71	2.519 (7)	160
O32—H32···O38^ii	0.84	1.63	2.457 (7)	169

Symmetry codes: (i) x, −y+1/2, z−1/2; (ii) x, −y+3/2, z−1/2.