Synthesis and crystal structure of a new hybrid organic–inorganic material containing neutral mol­ecules, cations and hepta­molybdate anions

In the crystal structure of hexa­kis­(2-methyl-1H-imidazol-3-ium) hepta­molybdate 2-methyl-1H-imidazole disolvate dihydrate,(C₄H₇N₂)₆[Mo₇O₂₄]·2C₄H₆N₂·2H₂O, [Mo₇O₂₄]⁶⁻ hepta­molybdate anions, 2-methyl­imidazolium cations, neutral 2-methyl­imidazole mol­ecules and water mol­ecules are linked through hydrogen bonds into a three-dimensional network.

Key indicators

• Single-crystal X-ray study
• T = 170 K
• Mean [sigma](C-C) = 0.006 Å
• R factor = 0.046
• wR factor = 0.120
• Data-to-parameter ratio = 35.3

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT910_ALERT_3_B Missing # of FCF Reflection(s) Below Theta(Min).         24 Note
PLAT972_ALERT_2_B Check Calcd Resid. Dens.  0.61A   From Mo4            -2.64 eA-3

Alert level C
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.3 Note
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.5 Note
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.3 Note
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600         15 Report
PLAT971_ALERT_2_C Check Calcd Resid. Dens.  0.57A   From Mo4             1.79 eA-3
PLAT971_ALERT_2_C Check Calcd Resid. Dens.  0.33A   From Mo7             1.70 eA-3
PLAT971_ALERT_2_C Check Calcd Resid. Dens.  2.17A   From C30             1.66 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.68A   From Mo1            -2.26 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.69A   From Mo7            -2.06 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.74A   From Mo1            -2.06 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.74A   From Mo6            -1.96 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.54A   From Mo3            -1.87 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.71A   From Mo7            -1.84 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.71A   From Mo7            -1.80 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.69A   From Mo4            -1.77 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.74A   From Mo2            -1.74 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.69A   From Mo1            -1.69 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.84A   From Mo6            -1.68 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.72A   From Mo5            -1.64 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.52A   From Mo3            -1.60 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.68A   From Mo5            -1.59 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.64A   From Mo5            -1.54 eA-3
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.47A   From Mo4            -1.52 eA-3
PLAT973_ALERT_2_C Check Calcd Positive Resid. Density on       Mo5       1.06 eA-3
PLAT973_ALERT_2_C Check Calcd Positive Resid. Density on       Mo3       1.04 eA-3
PLAT977_ALERT_2_C Check Negative Difference Density on H10N             -0.31 eA-3
PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density.          0 Info

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         56 Note
PLAT005_ALERT_5_G No Embedded Refinement Details Found  in the CIF     Please Do !
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT  Unusually Large      11.29 Why ?
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Mo1      --O19      .        8.9 s.u.
PLAT794_ALERT_5_G Tentative Bond Valency for Mo1       (VI)      .       5.66 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Mo2       (VI)      .       5.91 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Mo3       (VI)      .       5.92 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Mo4       (VI)      .       5.74 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Mo5       (VI)      .       5.90 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Mo6       (VI)      .       5.87 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Mo7       (VI)      .       5.92 Info
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............         58 Note

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

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


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

---

Computing details

Data collection: CrysAlis PRO (Agilent, 2014); cell refinement: CrysAlis PRO (Agilent, 2014); data reduction: CrysAlis PRO (Agilent, 2014); program(s) used to solve structure: SIR92 (Altomare et al., 1992); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae et al., 2008); software used to prepare material for publication: WinGX (Farrugia, 2012) and PLATON (Spek, 2009).

Hexakis(2-methyl-1H-imidazol-3-ium) heptamolybdate 2-methyl-1H-imidazole disolvate dihydrate

Crystal data

(C4H7N2)6[Mo7O24]·2C4H6N2·2H2O	F(000) = 3456
Mr = 1754.52	Dx = 2.016 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 38522 reflections
a = 16.5325 (2) Å	θ = 3.5–37.4°
b = 17.5842 (2) Å	µ = 1.56 mm^−1
c = 19.8873 (2) Å	T = 170 K
β = 90.653 (1)°	Fragment of prism, colourless
V = 5781.08 (11) Å^3	0.38 × 0.28 × 0.19 mm
Z = 4

Data collection

Agilent Xcalibur, Sapphire2, large Be window diffractometer	27993 independent reflections
Radiation source: Enhance (Mo) X-ray Source	21593 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.053
Detector resolution: 8.3622 pixels mm^-1	θmax = 36.3°, θmin = 3.3°
ω scans	h = −24→27
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2014)	k = −29→29
Tmin = 0.476, Tmax = 0.756	l = −33→33
104921 measured reflections

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)] = 0.046	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.120	H atoms treated by a mixture of independent and constrained refinement
S = 1.15	w = 1/[σ^2(Fo^2) + (0.0397P)^2 + 11.2859P] where P = (Fo^2 + 2Fc^2)/3
27993 reflections	(Δ/σ)max = 0.011
792 parameters	Δρmax = 1.83 e Å^−3
58 restraints	Δρmin = −2.87 e Å^−3

Special details

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
O1	−0.04305 (13)	0.24793 (14)	0.39565 (12)	0.0280 (4)
O2	0.00551 (14)	0.27946 (14)	0.26843 (11)	0.0284 (5)
O3	0.07596 (13)	0.15830 (12)	0.34241 (10)	0.0230 (4)
O4	0.07336 (14)	0.12579 (14)	0.48407 (11)	0.0269 (4)
O5	0.15457 (15)	0.03530 (13)	0.39571 (12)	0.0295 (5)
O6	0.23807 (12)	0.13563 (11)	0.47918 (9)	0.0185 (3)
O7	0.40034 (14)	0.12283 (14)	0.50582 (12)	0.0284 (5)
O8	0.33831 (15)	0.04054 (13)	0.40157 (12)	0.0280 (4)
O9	0.42573 (14)	0.16391 (13)	0.36926 (12)	0.0268 (4)
O10	0.52563 (15)	0.25984 (16)	0.44633 (15)	0.0364 (6)
O11	0.50709 (16)	0.28585 (17)	0.31122 (14)	0.0393 (6)
O12	0.41549 (13)	0.37036 (12)	0.40412 (11)	0.0223 (4)
O13	0.39387 (13)	0.34235 (15)	0.54308 (11)	0.0277 (4)
O14	0.32385 (14)	0.46326 (12)	0.47845 (11)	0.0246 (4)
O15	0.23109 (12)	0.33656 (12)	0.51719 (9)	0.0197 (3)
O16	0.06318 (13)	0.33595 (15)	0.52098 (11)	0.0278 (5)
O17	0.13927 (14)	0.45859 (13)	0.46625 (11)	0.0251 (4)
O18	0.06704 (13)	0.36491 (12)	0.37905 (10)	0.0213 (4)
O19	0.16800 (13)	0.28094 (12)	0.28601 (10)	0.0227 (4)
O20	0.24914 (12)	0.16416 (11)	0.35550 (9)	0.0191 (3)
O21	0.33322 (14)	0.28445 (13)	0.29412 (11)	0.0253 (4)
O22	0.24226 (12)	0.36427 (11)	0.39099 (9)	0.0171 (3)
O23	0.14447 (11)	0.25197 (11)	0.41666 (9)	0.0164 (3)
O24	0.33781 (11)	0.25392 (11)	0.42940 (9)	0.0172 (3)
Mo1	0.042356 (14)	0.264056 (14)	0.348758 (11)	0.01907 (5)
Mo2	0.142420 (14)	0.128403 (13)	0.420960 (11)	0.01805 (4)
Mo3	0.342279 (14)	0.130828 (14)	0.434127 (12)	0.01888 (4)
Mo4	0.454713 (15)	0.269540 (15)	0.383726 (13)	0.02328 (5)
Mo5	0.333156 (14)	0.365314 (13)	0.475739 (11)	0.01745 (4)
Mo6	0.134696 (14)	0.360541 (13)	0.463691 (11)	0.01669 (4)
Mo7	0.248954 (14)	0.271359 (12)	0.343147 (10)	0.01554 (4)
C1	0.2405 (3)	0.0776 (2)	0.1309 (2)	0.0436 (9)
H1	0.235	0.0891	0.0844	0.052*
C2	0.2374 (3)	0.1281 (2)	0.18283 (19)	0.0366 (8)
H2	0.2294	0.1814	0.1794	0.044*
C3	0.25571 (18)	0.01393 (18)	0.22512 (16)	0.0243 (5)
C4	0.2682 (3)	−0.0505 (2)	0.2726 (2)	0.0466 (10)
H4A	0.2705	−0.031	0.3188	0.07*
H4B	0.3192	−0.0763	0.2623	0.07*
H4C	0.2233	−0.0865	0.2681	0.07*
N1	0.25288 (17)	0.00771 (16)	0.15858 (13)	0.0265 (5)
N2	0.24786 (16)	0.08720 (15)	0.24065 (13)	0.0236 (5)
H1N	0.255 (2)	−0.0354 (12)	0.1362 (13)	0.028*
H2N	0.248 (2)	0.1084 (15)	0.2801 (10)	0.028*
C5	0.4466 (3)	0.0710 (3)	0.1457 (2)	0.0472 (10)
H5	0.4409	0.0769	0.0984	0.057*
C6	0.4432 (3)	0.1273 (3)	0.1927 (2)	0.0429 (9)
H6	0.4352	0.1801	0.1847	0.051*
C7	0.46291 (19)	0.0184 (2)	0.2452 (2)	0.0338 (7)
C8	0.4797 (3)	−0.0370 (3)	0.3006 (2)	0.0458 (10)
H8A	0.5322	−0.0253	0.3215	0.069*
H8B	0.4807	−0.0887	0.2822	0.069*
H8C	0.4372	−0.0333	0.3344	0.069*
N3	0.45995 (18)	0.00367 (19)	0.18011 (18)	0.0356 (7)
N4	0.45352 (17)	0.09260 (18)	0.25376 (18)	0.0343 (6)
H3N	0.457 (3)	−0.0409 (12)	0.1597 (14)	0.041*
H4N	0.450 (3)	0.1166 (16)	0.2926 (10)	0.041*
C9	0.4628 (3)	0.5730 (2)	0.3839 (2)	0.0417 (9)
H9	0.4661	0.5816	0.431	0.05*
C10	0.4672 (2)	0.6261 (2)	0.3346 (2)	0.0389 (8)
H10	0.4739	0.6794	0.3407	0.047*
C11	0.45236 (19)	0.5147 (2)	0.28609 (19)	0.0308 (7)
C12	0.4469 (3)	0.4532 (3)	0.2355 (2)	0.0536 (12)
H12A	0.4124	0.4697	0.1979	0.08*
H12B	0.4235	0.4077	0.2561	0.08*
H12C	0.5011	0.4413	0.219	0.08*
N5	0.45244 (17)	0.50405 (18)	0.35196 (16)	0.0316 (6)
N6	0.46028 (17)	0.58857 (17)	0.27414 (16)	0.0316 (6)
H5N	0.446 (3)	0.4604 (12)	0.3735 (13)	0.038*
H6N	0.456 (3)	0.6126 (15)	0.2346 (10)	0.038*
C13	0.4092 (3)	0.3119 (4)	0.0588 (3)	0.0606 (14)
H13	0.4644	0.327	0.0599	0.073*
C14	0.3540 (3)	0.3234 (3)	0.1070 (3)	0.0549 (12)
H14	0.363	0.3476	0.1492	0.066*
C15	0.2921 (3)	0.2642 (2)	0.02298 (19)	0.0364 (8)
C16	0.2296 (4)	0.2267 (3)	−0.0190 (3)	0.0564 (12)
H16A	0.2271	0.1726	−0.0075	0.085*
H16B	0.2433	0.2323	−0.0666	0.085*
H16C	0.177	0.2503	−0.0108	0.085*
N7	0.3698 (2)	0.2740 (2)	0.00784 (19)	0.0475 (9)
N8	0.2818 (2)	0.2935 (2)	0.08359 (17)	0.0398 (7)
H7N	0.3920 (18)	0.263 (3)	−0.0313 (13)	0.048*
H8N	0.2341 (13)	0.301 (3)	0.1029 (17)	0.048*
C17	0.3403 (2)	0.3084 (2)	0.75070 (18)	0.0319 (7)
H17	0.3787	0.2916	0.7834	0.038*
C18	0.34305 (19)	0.2954 (2)	0.68388 (18)	0.0300 (6)
H18	0.3836	0.2681	0.6606	0.036*
C19	0.23323 (18)	0.36274 (19)	0.70469 (15)	0.0251 (5)
C20	0.1568 (2)	0.4053 (3)	0.6948 (2)	0.0404 (9)
H20A	0.119	0.392	0.7305	0.061*
H20B	0.1328	0.392	0.651	0.061*
H20C	0.1679	0.46	0.6962	0.061*
N9	0.27156 (17)	0.35055 (18)	0.76280 (14)	0.0292 (5)
N10	0.27544 (16)	0.32947 (17)	0.65606 (13)	0.0260 (5)
H9N	0.2597 (19)	0.369 (2)	0.8029 (10)	0.031*
H10N	0.2612 (19)	0.328 (2)	0.6133 (9)	0.031*
C21	0.1295 (2)	0.2036 (2)	0.62572 (16)	0.0294 (6)
H21	0.0909	0.2298	0.5985	0.035*
C22	0.12795 (19)	0.1954 (2)	0.69351 (15)	0.0289 (6)
H22	0.0878	0.2144	0.7228	0.035*
C23	0.23697 (19)	0.13713 (18)	0.65689 (14)	0.0241 (5)
C24	0.3139 (2)	0.0943 (2)	0.6550 (2)	0.0356 (7)
H24A	0.3575	0.1257	0.6739	0.053*
H24B	0.3264	0.0813	0.6083	0.053*
H24C	0.3088	0.0476	0.6815	0.053*
N11	0.19766 (16)	0.16674 (17)	0.60401 (12)	0.0262 (5)
N12	0.19571 (16)	0.15416 (17)	0.71190 (12)	0.0257 (5)
H11N	0.2134 (19)	0.164 (2)	0.5621 (9)	0.031*
H12N	0.2122 (19)	0.145 (2)	0.7531 (9)	0.031*
C25	0.3331 (3)	−0.0694 (3)	0.5204 (2)	0.0543 (12)
H25	0.3753	−0.0638	0.4888	0.065*
C26	0.3380 (3)	−0.1023 (3)	0.5821 (2)	0.0498 (11)
H26	0.3853	−0.1248	0.6009	0.06*
C27	0.2140 (3)	−0.0632 (2)	0.5699 (2)	0.0439 (10)
C28	0.1286 (4)	−0.0448 (3)	0.5815 (3)	0.0625 (14)
H28A	0.0994	−0.0912	0.5938	0.094*
H28B	0.1046	−0.0234	0.5404	0.094*
H28C	0.1248	−0.0077	0.618	0.094*
N13	0.2543 (3)	−0.0461 (2)	0.51329 (18)	0.0523 (10)
N14	0.2641 (2)	−0.0981 (2)	0.61320 (16)	0.0421 (8)
H13N	0.2347 (18)	−0.022 (3)	0.4779 (15)	0.05*
C29	0.1459 (2)	0.5736 (2)	0.59154 (18)	0.0331 (7)
H29	0.0966	0.5697	0.5669	0.04*
C30	0.1591 (2)	0.6127 (2)	0.64964 (18)	0.0325 (7)
H30	0.1195	0.6411	0.673	0.039*
C31	0.2732 (2)	0.5611 (2)	0.62385 (16)	0.0289 (6)
C32	0.3600 (2)	0.5372 (3)	0.6246 (2)	0.0472 (11)
H32A	0.3916	0.5723	0.6526	0.071*
H32B	0.3807	0.5378	0.5786	0.071*
H32C	0.3645	0.4856	0.643	0.071*
N15	0.21866 (17)	0.54082 (17)	0.57597 (14)	0.0287 (5)
N16	0.23894 (17)	0.60467 (18)	0.66955 (14)	0.0302 (6)
H15N	0.2266 (18)	0.511 (2)	0.5419 (15)	0.036*
O25	0.14267 (16)	0.30433 (19)	0.14871 (12)	0.0369 (6)
H25V	0.134 (3)	0.300 (3)	0.1909 (10)	0.055*
H25W	0.0957 (17)	0.302 (3)	0.130 (2)	0.055*
O26	0.4963 (2)	0.2100 (2)	0.58818 (17)	0.0519 (8)
H26V	0.482 (4)	0.248 (2)	0.566 (3)	0.078*
H26W	0.482 (4)	0.172 (2)	0.566 (3)	0.078*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O1	0.0214 (9)	0.0333 (12)	0.0294 (11)	−0.0021 (8)	0.0030 (8)	0.0072 (9)
O2	0.0330 (11)	0.0339 (12)	0.0182 (9)	−0.0065 (9)	−0.0104 (8)	0.0047 (8)
O3	0.0288 (10)	0.0217 (9)	0.0183 (9)	−0.0051 (8)	−0.0051 (7)	0.0004 (7)
O4	0.0258 (10)	0.0345 (12)	0.0206 (9)	−0.0030 (9)	0.0017 (8)	0.0070 (8)
O5	0.0382 (12)	0.0218 (10)	0.0285 (11)	−0.0060 (9)	−0.0035 (9)	−0.0020 (8)
O6	0.0218 (8)	0.0208 (9)	0.0129 (7)	−0.0003 (7)	0.0016 (6)	0.0024 (6)
O7	0.0255 (10)	0.0328 (12)	0.0268 (11)	0.0018 (9)	−0.0034 (8)	0.0067 (9)
O8	0.0375 (12)	0.0221 (10)	0.0247 (10)	0.0050 (9)	0.0080 (9)	0.0008 (8)
O9	0.0295 (10)	0.0258 (10)	0.0253 (10)	0.0044 (8)	0.0119 (8)	0.0025 (8)
O10	0.0240 (11)	0.0398 (14)	0.0452 (15)	0.0009 (10)	−0.0018 (10)	0.0059 (12)
O11	0.0371 (13)	0.0433 (15)	0.0379 (14)	0.0011 (11)	0.0227 (11)	0.0077 (11)
O12	0.0239 (9)	0.0206 (9)	0.0223 (9)	−0.0029 (7)	0.0041 (7)	0.0025 (7)
O13	0.0233 (10)	0.0389 (13)	0.0206 (9)	−0.0016 (9)	−0.0060 (8)	0.0031 (9)
O14	0.0312 (10)	0.0204 (9)	0.0222 (9)	−0.0040 (8)	−0.0020 (8)	−0.0034 (7)
O15	0.0219 (9)	0.0257 (9)	0.0116 (7)	−0.0001 (7)	−0.0011 (6)	0.0004 (7)
O16	0.0256 (10)	0.0402 (13)	0.0177 (9)	0.0037 (9)	0.0059 (8)	0.0036 (8)
O17	0.0310 (11)	0.0228 (10)	0.0215 (9)	0.0033 (8)	−0.0038 (8)	−0.0032 (7)
O18	0.0242 (9)	0.0206 (9)	0.0189 (9)	0.0013 (7)	−0.0031 (7)	0.0008 (7)
O19	0.0306 (10)	0.0237 (9)	0.0137 (8)	−0.0029 (8)	−0.0038 (7)	0.0018 (7)
O20	0.0283 (9)	0.0160 (8)	0.0129 (7)	−0.0013 (7)	0.0032 (7)	−0.0007 (6)
O21	0.0321 (11)	0.0255 (10)	0.0186 (9)	0.0004 (8)	0.0110 (8)	0.0020 (7)
O22	0.0229 (8)	0.0167 (8)	0.0117 (7)	−0.0007 (6)	0.0003 (6)	−0.0007 (6)
O23	0.0187 (8)	0.0189 (8)	0.0117 (7)	−0.0014 (6)	0.0007 (6)	0.0008 (6)
O24	0.0198 (8)	0.0175 (8)	0.0143 (7)	0.0004 (6)	0.0029 (6)	0.0014 (6)
Mo1	0.01912 (9)	0.02215 (10)	0.01584 (9)	−0.00268 (8)	−0.00351 (7)	0.00174 (7)
Mo2	0.02159 (10)	0.01762 (9)	0.01494 (9)	−0.00348 (7)	−0.00019 (7)	0.00209 (7)
Mo3	0.02075 (10)	0.01832 (10)	0.01763 (9)	0.00146 (8)	0.00352 (7)	0.00293 (7)
Mo4	0.01970 (10)	0.02472 (11)	0.02561 (11)	0.00006 (8)	0.00868 (8)	0.00360 (9)
Mo5	0.01950 (9)	0.01916 (10)	0.01367 (9)	−0.00115 (7)	−0.00133 (7)	−0.00076 (7)
Mo6	0.01876 (9)	0.01945 (10)	0.01188 (8)	0.00120 (7)	0.00054 (7)	−0.00103 (7)
Mo7	0.02116 (9)	0.01513 (9)	0.01035 (8)	−0.00110 (7)	0.00168 (7)	−0.00035 (6)
C1	0.069 (3)	0.0360 (19)	0.0254 (16)	0.0063 (19)	−0.0037 (17)	−0.0048 (14)
C2	0.054 (2)	0.0268 (15)	0.0291 (16)	0.0069 (15)	−0.0016 (15)	−0.0060 (12)
C3	0.0225 (12)	0.0242 (13)	0.0263 (13)	0.0004 (10)	0.0014 (10)	−0.0075 (10)
C4	0.076 (3)	0.0280 (17)	0.036 (2)	−0.0038 (18)	0.002 (2)	−0.0050 (15)
N1	0.0293 (12)	0.0281 (12)	0.0222 (11)	0.0017 (10)	0.0000 (9)	−0.0128 (9)
N2	0.0248 (11)	0.0248 (11)	0.0211 (11)	0.0002 (9)	0.0014 (9)	−0.0092 (9)
C5	0.052 (2)	0.051 (3)	0.038 (2)	0.000 (2)	−0.0123 (18)	−0.0113 (18)
C6	0.047 (2)	0.041 (2)	0.041 (2)	0.0030 (17)	−0.0089 (17)	−0.0061 (17)
C7	0.0215 (13)	0.0335 (17)	0.047 (2)	−0.0041 (12)	0.0096 (13)	−0.0113 (14)
C8	0.045 (2)	0.046 (2)	0.046 (2)	0.0079 (18)	0.0100 (18)	−0.0030 (18)
N3	0.0256 (13)	0.0373 (16)	0.0439 (17)	−0.0015 (11)	0.0025 (12)	−0.0179 (13)
N4	0.0231 (12)	0.0330 (15)	0.0469 (18)	−0.0027 (11)	0.0027 (11)	−0.0127 (13)
C9	0.050 (2)	0.037 (2)	0.038 (2)	−0.0067 (17)	0.0036 (17)	0.0054 (15)
C10	0.043 (2)	0.0313 (17)	0.043 (2)	−0.0031 (15)	0.0023 (16)	0.0063 (15)
C11	0.0230 (13)	0.0311 (15)	0.0380 (17)	−0.0034 (11)	−0.0103 (12)	0.0118 (13)
C12	0.073 (3)	0.040 (2)	0.047 (2)	−0.004 (2)	−0.020 (2)	0.0017 (19)
N5	0.0250 (12)	0.0308 (14)	0.0389 (16)	−0.0056 (10)	−0.0032 (11)	0.0133 (12)
N6	0.0261 (12)	0.0306 (14)	0.0380 (15)	−0.0036 (10)	−0.0054 (11)	0.0120 (12)
C13	0.037 (2)	0.077 (4)	0.068 (3)	0.002 (2)	0.012 (2)	−0.008 (3)
C14	0.045 (2)	0.070 (3)	0.050 (3)	−0.003 (2)	0.005 (2)	−0.020 (2)
C15	0.047 (2)	0.0326 (17)	0.0296 (16)	0.0093 (15)	0.0081 (14)	0.0016 (13)
C16	0.077 (4)	0.044 (3)	0.047 (3)	0.002 (2)	−0.011 (2)	−0.005 (2)
N7	0.053 (2)	0.052 (2)	0.0381 (18)	0.0154 (17)	0.0202 (16)	0.0027 (16)
N8	0.0393 (16)	0.0454 (19)	0.0350 (16)	0.0044 (14)	0.0116 (13)	−0.0041 (14)
C17	0.0242 (13)	0.0393 (18)	0.0321 (16)	0.0027 (12)	−0.0053 (12)	0.0007 (13)
C18	0.0220 (13)	0.0359 (17)	0.0322 (16)	0.0035 (12)	0.0030 (11)	−0.0006 (13)
C19	0.0228 (12)	0.0309 (15)	0.0215 (12)	0.0022 (11)	0.0018 (10)	−0.0001 (10)
C20	0.0333 (17)	0.048 (2)	0.040 (2)	0.0146 (16)	−0.0022 (14)	0.0057 (17)
N9	0.0293 (13)	0.0380 (15)	0.0203 (11)	0.0040 (11)	−0.0012 (9)	−0.0007 (10)
N10	0.0266 (12)	0.0338 (13)	0.0177 (10)	−0.0006 (10)	0.0024 (9)	−0.0001 (9)
C21	0.0277 (14)	0.0417 (18)	0.0190 (12)	0.0009 (13)	0.0000 (10)	0.0026 (12)
C22	0.0268 (13)	0.0415 (18)	0.0187 (12)	−0.0004 (12)	0.0069 (10)	0.0002 (11)
C23	0.0288 (13)	0.0282 (14)	0.0155 (11)	−0.0015 (11)	0.0017 (10)	−0.0007 (9)
C24	0.0362 (17)	0.0365 (18)	0.0343 (17)	0.0089 (14)	0.0056 (14)	0.0012 (14)
N11	0.0289 (12)	0.0374 (14)	0.0124 (9)	−0.0002 (10)	0.0027 (8)	0.0008 (9)
N12	0.0293 (12)	0.0347 (14)	0.0132 (9)	−0.0017 (10)	0.0013 (8)	0.0037 (9)
C25	0.081 (3)	0.039 (2)	0.043 (2)	0.008 (2)	0.026 (2)	0.0121 (18)
C26	0.066 (3)	0.042 (2)	0.042 (2)	0.003 (2)	0.013 (2)	0.0089 (18)
C27	0.074 (3)	0.0266 (16)	0.0306 (17)	−0.0031 (18)	0.0014 (18)	0.0015 (13)
C28	0.075 (4)	0.054 (3)	0.058 (3)	−0.001 (3)	−0.006 (3)	0.005 (2)
N13	0.095 (3)	0.0330 (17)	0.0288 (16)	0.0064 (19)	0.0075 (18)	0.0112 (13)
N14	0.065 (2)	0.0348 (16)	0.0260 (14)	−0.0038 (15)	0.0053 (14)	0.0052 (12)
C29	0.0285 (15)	0.0419 (19)	0.0286 (15)	0.0052 (13)	−0.0094 (12)	−0.0013 (13)
C30	0.0307 (15)	0.0369 (17)	0.0298 (15)	0.0115 (13)	−0.0028 (12)	−0.0057 (13)
C31	0.0290 (14)	0.0355 (16)	0.0222 (13)	0.0043 (12)	−0.0059 (11)	−0.0094 (12)
C32	0.0322 (18)	0.068 (3)	0.041 (2)	0.0155 (19)	−0.0086 (15)	−0.019 (2)
N15	0.0315 (13)	0.0327 (14)	0.0217 (11)	0.0048 (11)	−0.0046 (10)	−0.0109 (10)
N16	0.0302 (13)	0.0364 (15)	0.0240 (12)	0.0088 (11)	−0.0057 (10)	−0.0092 (11)
O25	0.0344 (12)	0.0563 (17)	0.0199 (10)	0.0001 (12)	0.0025 (9)	0.0003 (11)
O26	0.066 (2)	0.0466 (18)	0.0422 (17)	−0.0038 (16)	−0.0272 (15)	0.0040 (14)

Geometric parameters (Å, º)

O1—Mo1	1.724 (2)	C11—N6	1.328 (4)
O2—Mo1	1.725 (2)	C11—C12	1.479 (6)
O3—Mo1	1.945 (2)	C12—H12A	0.98
O3—Mo2	1.971 (2)	C12—H12B	0.98
O4—Mo2	1.707 (2)	C12—H12C	0.98
O5—Mo2	1.725 (2)	N5—H5N	0.886 (17)
O6—Mo3	1.9528 (19)	N6—H6N	0.895 (17)
O6—Mo2	1.953 (2)	C13—C14	1.347 (7)
O7—Mo3	1.715 (2)	C13—N7	1.372 (7)
O8—Mo3	1.716 (2)	C13—H13	0.95
O9—Mo4	1.939 (2)	C14—N8	1.379 (6)
O9—Mo3	1.987 (2)	C14—H14	0.95
O10—Mo4	1.709 (3)	C15—N8	1.324 (5)
O11—Mo4	1.715 (2)	C15—N7	1.333 (5)
O12—Mo4	1.932 (2)	C15—C16	1.476 (6)
O12—Mo5	1.983 (2)	C16—H16A	0.98
O13—Mo5	1.713 (2)	C16—H16B	0.98
O14—Mo5	1.730 (2)	C16—H16C	0.98
O15—Mo6	1.9521 (19)	N7—H7N	0.887 (17)
O15—Mo5	1.953 (2)	N8—H8N	0.893 (17)
O16—Mo6	1.707 (2)	C17—C18	1.350 (5)
O17—Mo6	1.726 (2)	C17—N9	1.380 (4)
O18—Mo1	1.916 (2)	C17—H17	0.95
O18—Mo6	2.012 (2)	C18—N10	1.379 (4)
O19—Mo7	1.754 (2)	C18—H18	0.95
O19—Mo1	2.453 (2)	C19—N9	1.329 (4)
O20—Mo7	1.901 (2)	C19—N10	1.334 (4)
O20—Mo3	2.259 (2)	C19—C20	1.480 (5)
O20—Mo2	2.292 (2)	C20—H20A	0.98
O21—Mo7	1.725 (2)	C20—H20B	0.98
O22—Mo7	1.8945 (19)	C20—H20C	0.98
O22—Mo5	2.2453 (19)	N9—H9N	0.886 (17)
O22—Mo6	2.3057 (19)	N10—H10N	0.880 (17)
O23—Mo6	2.1329 (19)	C21—C22	1.356 (4)
O23—Mo1	2.1604 (19)	C21—N11	1.374 (4)
O23—Mo2	2.1748 (19)	C21—H21	0.95
O23—Mo7	2.3011 (18)	C22—N12	1.380 (4)
O24—Mo4	2.1624 (19)	C22—H22	0.95
O24—Mo5	2.1665 (19)	C23—N12	1.330 (4)
O24—Mo3	2.1677 (19)	C23—N11	1.336 (4)
O24—Mo7	2.2665 (19)	C23—C24	1.479 (5)
Mo1—Mo6	3.2178 (3)	C24—H24A	0.98
Mo4—Mo5	3.2105 (3)	C24—H24B	0.98
C1—C2	1.362 (5)	C24—H24C	0.98
C1—N1	1.362 (5)	N11—H11N	0.877 (17)
C1—H1	0.95	N12—H12N	0.876 (17)
C2—N2	1.365 (5)	C25—C26	1.357 (6)
C2—H2	0.95	C25—N13	1.371 (7)
C3—N1	1.328 (4)	C25—H25	0.95
C3—N2	1.332 (4)	C26—N14	1.377 (6)
C3—C4	1.488 (5)	C26—H26	0.95
C4—H4A	0.98	C27—N14	1.338 (6)
C4—H4B	0.98	C27—N13	1.348 (6)
C4—H4C	0.98	C27—C28	1.470 (8)
N1—H1N	0.881 (17)	C28—H28A	0.98
N2—H2N	0.868 (17)	C28—H28B	0.98
C5—C6	1.363 (6)	C28—H28C	0.98
C5—N3	1.384 (6)	N13—H13N	0.880 (19)
C5—H5	0.95	C29—C30	1.360 (5)
C6—N4	1.367 (6)	C29—N15	1.372 (4)
C6—H6	0.95	C29—H29	0.95
C7—N3	1.321 (5)	C30—N16	1.380 (4)
C7—N4	1.325 (5)	C30—H30	0.95
C7—C8	1.493 (6)	C31—N16	1.321 (4)
C8—H8A	0.98	C31—N15	1.352 (4)
C8—H8B	0.98	C31—C32	1.495 (5)
C8—H8C	0.98	C32—H32A	0.98
N3—H3N	0.884 (17)	C32—H32B	0.98
N4—H4N	0.884 (17)	C32—H32C	0.98
C9—C10	1.357 (6)	N15—H15N	0.867 (19)
C9—N5	1.378 (5)	O25—H25V	0.857 (19)
C9—H9	0.95	O25—H25W	0.856 (18)
C10—N6	1.375 (5)	O26—H26V	0.842 (19)
C10—H10	0.95	O26—H26W	0.843 (19)
C11—N5	1.323 (5)
Mo1—O3—Mo2	111.13 (10)	C3—C4—H4A	109.5
Mo3—O6—Mo2	115.96 (9)	C3—C4—H4B	109.5
Mo4—O9—Mo3	110.89 (11)	H4A—C4—H4B	109.5
Mo4—O12—Mo5	110.14 (10)	C3—C4—H4C	109.5
Mo6—O15—Mo5	114.70 (9)	H4A—C4—H4C	109.5
Mo1—O18—Mo6	110.01 (10)	H4B—C4—H4C	109.5
Mo7—O19—Mo1	107.64 (9)	C3—N1—C1	109.4 (3)
Mo7—O20—Mo3	110.29 (9)	C3—N1—H1N	125.1 (19)
Mo7—O20—Mo2	110.20 (9)	C1—N1—H1N	125.4 (19)
Mo3—O20—Mo2	93.36 (7)	C3—N2—C2	109.0 (3)
Mo7—O22—Mo5	109.98 (9)	C3—N2—H2N	128.7 (19)
Mo7—O22—Mo6	109.89 (9)	C2—N2—H2N	122.3 (19)
Mo5—O22—Mo6	92.51 (7)	C6—C5—N3	106.9 (4)
Mo6—O23—Mo1	97.09 (8)	C6—C5—H5	126.6
Mo6—O23—Mo2	151.14 (9)	N3—C5—H5	126.6
Mo1—O23—Mo2	96.34 (7)	C5—C6—N4	106.2 (4)
Mo6—O23—Mo7	101.96 (8)	C5—C6—H6	126.9
Mo1—O23—Mo7	100.09 (7)	N4—C6—H6	126.9
Mo2—O23—Mo7	100.67 (7)	N3—C7—N4	108.4 (4)
Mo4—O24—Mo5	95.74 (8)	N3—C7—C8	126.8 (4)
Mo4—O24—Mo3	96.60 (8)	N4—C7—C8	124.7 (4)
Mo5—O24—Mo3	152.34 (9)	C7—C8—H8A	109.5
Mo4—O24—Mo7	103.86 (7)	C7—C8—H8B	109.5
Mo5—O24—Mo7	100.00 (8)	H8A—C8—H8B	109.5
Mo3—O24—Mo7	100.92 (8)	C7—C8—H8C	109.5
O1—Mo1—O2	104.12 (11)	H8A—C8—H8C	109.5
O1—Mo1—O18	98.92 (11)	H8B—C8—H8C	109.5
O2—Mo1—O18	102.57 (10)	C7—N3—C5	108.7 (3)
O1—Mo1—O3	96.55 (11)	C7—N3—H3N	129 (2)
O2—Mo1—O3	100.84 (10)	C5—N3—H3N	122 (2)
O18—Mo1—O3	147.73 (9)	C7—N4—C6	109.9 (3)
O1—Mo1—O23	106.54 (9)	C7—N4—H4N	126 (2)
O2—Mo1—O23	149.29 (10)	C6—N4—H4N	124 (2)
O18—Mo1—O23	74.47 (8)	C10—C9—N5	106.3 (4)
O3—Mo1—O23	74.03 (8)	C10—C9—H9	126.9
O1—Mo1—O19	176.53 (9)	N5—C9—H9	126.9
O2—Mo1—O19	78.58 (10)	C9—C10—N6	107.2 (4)
O18—Mo1—O19	82.49 (8)	C9—C10—H10	126.4
O3—Mo1—O19	80.71 (8)	N6—C10—H10	126.4
O23—Mo1—O19	70.72 (7)	N5—C11—N6	108.4 (3)
O1—Mo1—Mo6	95.01 (8)	N5—C11—C12	124.7 (3)
O2—Mo1—Mo6	137.30 (8)	N6—C11—C12	126.8 (4)
O18—Mo1—Mo6	35.98 (6)	C11—C12—H12A	109.5
O3—Mo1—Mo6	114.62 (6)	C11—C12—H12B	109.5
O23—Mo1—Mo6	41.13 (5)	H12A—C12—H12B	109.5
O19—Mo1—Mo6	84.26 (5)	C11—C12—H12C	109.5
O4—Mo2—O5	105.64 (12)	H12A—C12—H12C	109.5
O4—Mo2—O6	96.30 (9)	H12B—C12—H12C	109.5
O5—Mo2—O6	97.94 (10)	C11—N5—C9	109.3 (3)
O4—Mo2—O3	102.62 (10)	C11—N5—H5N	127.0 (19)
O5—Mo2—O3	95.05 (10)	C9—N5—H5N	123.7 (19)
O6—Mo2—O3	153.21 (8)	C11—N6—C10	108.7 (3)
O4—Mo2—O23	93.82 (10)	C11—N6—H6N	127.8 (19)
O5—Mo2—O23	159.22 (10)	C10—N6—H6N	123.1 (19)
O6—Mo2—O23	86.87 (8)	C14—C13—N7	106.2 (4)
O3—Mo2—O23	73.22 (8)	C14—C13—H13	126.9
O4—Mo2—O20	161.90 (10)	N7—C13—H13	126.9
O5—Mo2—O20	90.12 (10)	C13—C14—N8	107.0 (4)
O6—Mo2—O20	72.28 (7)	C13—C14—H14	126.5
O3—Mo2—O20	84.40 (8)	N8—C14—H14	126.5
O23—Mo2—O20	72.01 (7)	N8—C15—N7	106.8 (4)
O8—Mo3—O7	104.86 (12)	N8—C15—C16	126.4 (4)
O8—Mo3—O6	100.55 (10)	N7—C15—C16	126.8 (4)
O7—Mo3—O6	96.34 (10)	C15—C16—H16A	109.5
O8—Mo3—O9	92.85 (10)	C15—C16—H16B	109.5
O7—Mo3—O9	100.23 (11)	H16A—C16—H16B	109.5
O6—Mo3—O9	155.25 (9)	C15—C16—H16C	109.5
O8—Mo3—O24	155.03 (9)	H16A—C16—H16C	109.5
O7—Mo3—O24	97.84 (10)	H16B—C16—H16C	109.5
O6—Mo3—O24	86.96 (8)	C15—N7—C13	110.3 (4)
O9—Mo3—O24	72.72 (8)	C15—N7—H7N	125 (2)
O8—Mo3—O20	87.48 (10)	C13—N7—H7N	124 (2)
O7—Mo3—O20	165.23 (10)	C15—N8—C14	109.7 (4)
O6—Mo3—O20	73.05 (7)	C15—N8—H8N	125 (2)
O9—Mo3—O20	86.99 (9)	C14—N8—H8N	124 (2)
O24—Mo3—O20	71.84 (7)	C18—C17—N9	107.4 (3)
O10—Mo4—O11	106.30 (14)	C18—C17—H17	126.3
O10—Mo4—O12	99.66 (12)	N9—C17—H17	126.3
O11—Mo4—O12	101.36 (12)	C17—C18—N10	106.6 (3)
O10—Mo4—O9	100.30 (12)	C17—C18—H18	126.7
O11—Mo4—O9	99.31 (12)	N10—C18—H18	126.7
O12—Mo4—O9	145.80 (9)	N9—C19—N10	108.1 (3)
O10—Mo4—O24	106.87 (10)	N9—C19—C20	126.5 (3)
O11—Mo4—O24	146.81 (11)	N10—C19—C20	125.3 (3)
O12—Mo4—O24	74.02 (8)	C19—C20—H20A	109.5
O9—Mo4—O24	73.74 (8)	C19—C20—H20B	109.5
O10—Mo4—Mo5	93.77 (10)	H20A—C20—H20B	109.5
O11—Mo4—Mo5	135.81 (10)	C19—C20—H20C	109.5
O12—Mo4—Mo5	35.45 (6)	H20A—C20—H20C	109.5
O9—Mo4—Mo5	115.58 (6)	H20B—C20—H20C	109.5
O24—Mo4—Mo5	42.18 (5)	C19—N9—C17	108.7 (3)
O13—Mo5—O14	105.18 (11)	C19—N9—H9N	128.0 (19)
O13—Mo5—O15	96.34 (10)	C17—N9—H9N	123.0 (19)
O14—Mo5—O15	99.61 (10)	C19—N10—C18	109.2 (3)
O13—Mo5—O12	99.85 (10)	C19—N10—H10N	125.4 (19)
O14—Mo5—O12	92.28 (10)	C18—N10—H10N	125.4 (19)
O15—Mo5—O12	156.65 (9)	C22—C21—N11	106.6 (3)
O13—Mo5—O24	95.51 (10)	C22—C21—H21	126.7
O14—Mo5—O24	156.48 (9)	N11—C21—H21	126.7
O15—Mo5—O24	88.88 (8)	C21—C22—N12	107.2 (3)
O12—Mo5—O24	72.96 (8)	C21—C22—H22	126.4
O13—Mo5—O22	165.08 (10)	N12—C22—H22	126.4
O14—Mo5—O22	88.42 (9)	N12—C23—N11	108.1 (3)
O15—Mo5—O22	74.97 (7)	N12—C23—C24	125.8 (3)
O12—Mo5—O22	85.42 (8)	N11—C23—C24	126.1 (3)
O24—Mo5—O22	72.54 (7)	C23—C24—H24A	109.5
O13—Mo5—Mo4	87.53 (8)	C23—C24—H24B	109.5
O14—Mo5—Mo4	126.61 (8)	H24A—C24—H24B	109.5
O15—Mo5—Mo4	130.86 (6)	C23—C24—H24C	109.5
O12—Mo5—Mo4	34.41 (6)	H24A—C24—H24C	109.5
O24—Mo5—Mo4	42.08 (5)	H24B—C24—H24C	109.5
O22—Mo5—Mo4	89.18 (5)	C23—N11—C21	109.3 (2)
O16—Mo6—O17	105.29 (12)	C23—N11—H11N	125.3 (18)
O16—Mo6—O15	98.56 (10)	C21—N11—H11N	125.4 (18)
O17—Mo6—O15	99.46 (10)	C23—N12—C22	108.8 (2)
O16—Mo6—O18	100.69 (10)	C23—N12—H12N	124.9 (19)
O17—Mo6—O18	90.59 (9)	C22—N12—H12N	125.9 (19)
O15—Mo6—O18	155.08 (8)	C26—C25—N13	105.5 (4)
O16—Mo6—O23	97.03 (10)	C26—C25—H25	127.2
O17—Mo6—O23	154.60 (9)	N13—C25—H25	127.2
O15—Mo6—O23	88.86 (8)	C25—C26—N14	109.8 (5)
O18—Mo6—O23	73.23 (8)	C25—C26—H26	125.1
O16—Mo6—O22	166.13 (10)	N14—C26—H26	125.1
O17—Mo6—O22	87.49 (9)	N14—C27—N13	109.4 (4)
O15—Mo6—O22	73.58 (7)	N14—C27—C28	126.1 (4)
O18—Mo6—O22	84.24 (8)	N13—C27—C28	124.5 (4)
O23—Mo6—O22	71.80 (7)	C27—C28—H28A	109.5
O16—Mo6—Mo1	90.80 (8)	C27—C28—H28B	109.5
O17—Mo6—Mo1	124.59 (7)	H28A—C28—H28B	109.5
O15—Mo6—Mo1	130.62 (6)	C27—C28—H28C	109.5
O18—Mo6—Mo1	34.01 (6)	H28A—C28—H28C	109.5
O23—Mo6—Mo1	41.78 (5)	H28B—C28—H28C	109.5
O22—Mo6—Mo1	86.14 (5)	C27—N13—C25	108.9 (4)
O21—Mo7—O19	103.66 (11)	C27—N13—H13N	126 (2)
O21—Mo7—O22	102.76 (10)	C25—N13—H13N	125 (2)
O19—Mo7—O22	101.19 (9)	C27—N14—C26	106.3 (4)
O21—Mo7—O20	101.84 (10)	C30—C29—N15	105.7 (3)
O19—Mo7—O20	100.32 (9)	C30—C29—H29	127.1
O22—Mo7—O20	142.21 (8)	N15—C29—H29	127.1
O21—Mo7—O24	85.71 (9)	C29—C30—N16	109.6 (3)
O19—Mo7—O24	170.59 (8)	C29—C30—H30	125.2
O22—Mo7—O24	77.15 (8)	N16—C30—H30	125.2
O20—Mo7—O24	76.58 (8)	N16—C31—N15	110.4 (3)
O21—Mo7—O23	174.78 (9)	N16—C31—C32	125.2 (3)
O19—Mo7—O23	81.55 (8)	N15—C31—C32	124.4 (3)
O22—Mo7—O23	76.12 (8)	C31—C32—H32A	109.5
O20—Mo7—O23	76.77 (8)	C31—C32—H32B	109.5
O24—Mo7—O23	89.07 (6)	H32A—C32—H32B	109.5
C2—C1—N1	106.8 (3)	C31—C32—H32C	109.5
C2—C1—H1	126.6	H32A—C32—H32C	109.5
N1—C1—H1	126.6	H32B—C32—H32C	109.5
C1—C2—N2	106.9 (3)	C31—N15—C29	108.1 (3)
C1—C2—H2	126.6	C31—N15—H15N	127.1 (19)
N2—C2—H2	126.6	C29—N15—H15N	124.8 (19)
N1—C3—N2	108.0 (3)	C31—N16—C30	106.1 (3)
N1—C3—C4	125.0 (3)	H25V—O25—H25W	105 (3)
N2—C3—C4	127.0 (3)	H26V—O26—H26W	107 (4)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1N···O22^i	0.88 (2)	1.85 (2)	2.710 (3)	167 (2)
N2—H2N···O20	0.87 (2)	1.79 (2)	2.655 (3)	172 (2)
N3—H3N···O18^i	0.88 (2)	1.87 (2)	2.743 (4)	171 (5)
N4—H4N···O9	0.88 (2)	1.79 (2)	2.662 (4)	171 (5)
N5—H5N···O12	0.89 (2)	1.77 (3)	2.644 (4)	168 (4)
N6—H6N···O3^ii	0.90 (2)	1.80 (3)	2.684 (4)	168 (5)
N7—H7N···O1^iii	0.89 (3)	1.83 (3)	2.697 (4)	167 (3)
N8—H8N···O25	0.89 (3)	1.78 (3)	2.659 (4)	172 (5)
N9—H9N···N14^iv	0.89 (2)	1.81 (2)	2.698 (4)	177 (3)
N10—H10N···O15	0.88 (2)	1.98 (2)	2.852 (3)	174 (3)
N11—H11N···O6	0.88 (2)	1.78 (2)	2.636 (3)	166 (3)
N12—H12N···N16^v	0.88 (2)	1.87 (2)	2.725 (4)	165 (3)
N13—H13N···O5	0.88 (4)	2.32 (4)	3.186 (5)	167 (3)
N13—H13N···O8	0.88 (4)	2.55 (4)	3.043 (5)	116 (2)
N15—H15N···O14	0.87 (3)	2.22 (3)	2.953 (4)	142 (3)
N15—H15N···O17	0.87 (3)	2.27 (3)	2.917 (4)	132 (3)
O25—H25V···O19	0.86 (2)	2.00 (2)	2.788 (3)	154 (5)
O25—H25W···O26^vi	0.86 (3)	1.85 (3)	2.702 (4)	176 (5)
O26—H26V···O10	0.83 (4)	2.50 (6)	2.999 (4)	119 (5)
O26—H26V···O13	0.83 (4)	2.25 (5)	3.009 (4)	151 (6)
O26—H26W···O7	0.83 (4)	1.99 (6)	2.737 (4)	149 (6)
C4—H4A···O8	0.98	2.35	3.228 (5)	149
C8—H8B···O2^i	0.98	2.54	3.517 (6)	176
C8—H8C···O8	0.98	2.49	3.386 (5)	152
C10—H10···O26^vii	0.95	2.45	3.318 (5)	151
C12—H12A···O5^ii	0.98	2.44	3.407 (5)	167
C13—H13···O4^iii	0.95	2.50	3.297 (6)	141
C17—H17···O2^viii	0.95	2.46	3.154 (4)	130
C18—H18···O26	0.95	2.58	3.522 (5)	172
C21—H21···O16	0.95	2.46	3.302 (4)	147
C22—H22···O11^ix	0.95	2.22	3.113 (4)	156
C24—H24B···O7	0.98	2.50	3.346 (5)	145
C25—H25···O8	0.95	2.59	3.055 (5)	110
C32—H32B···O14	0.98	2.55	3.234 (5)	126

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