Tetrakis(1,4-dimethyl­pyridinium) dodeca­molybdo­phosphate nitrate

Tan, X.-J.; Sun, S.-X.; Ma, J.-P.; Liu, S.-L.; Xing, D.-X.

doi:10.1107/S1600536805008044

Tetrakis(1,4-dimethylpyridinium) dodecamolybdophosphate nitrate

X.-J. Tan, S.-X. Sun, J.-P. Ma, S.-L. Liu and D.-X. Xing

In the title compound, (C₇H₁₀N)₄[PMo₁₂O₄₀]NO₃, the asymmetric unit contains two 1,4-dimethylpyridinium (DMP) cations, one half of a nitrate anion perpendicular to the mirror plane and one half of a dodecamolybdophosphate (PMo₁₂) anion. Because of orientational disorder, a crystallographic centre of symmetry appears at the central P atom of the PMo₁₂ anion, although the PO₄ moiety has a tetrahedral structure and does not have a centre of symmetry. The PMo₁₂ anions show a disordered `pseudo-Keggin' structure and they are linked into an infinite three-dimensional assembly by DMP cations, via electrostatic forces and C—H

O interactions.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805008044/ob6490sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805008044/ob6490Isup2.hkl Contains datablock I

CCDC reference: 270502

checkCIF report

Key indicators

Single-crystal X-ray study
T = 291 K
Mean (C-C) = 0.031 Å
Disorder in main residue
R factor = 0.081
wR factor = 0.183
Data-to-parameter ratio = 13.5

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT301_ALERT_3_B Main Residue  Disorder .........................      35.00 Perc.
PLAT342_ALERT_3_B Low Bond Precision on C-C bonds (x 1000) Ang ...         31

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.25 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       O15A
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        O15
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        C4A
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        C5A
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        C2B
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        N1A
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C3A
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C3B
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N2
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.33
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.20
PLAT432_ALERT_2_C Short Inter X...Y Contact  C2A    ..  O22     ..       2.94 Ang.
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.11 Ratio

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 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
   8 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXL97.

Tetrakis(1,4-dimethylpyridinium) dodecamolybdophosphate nitrate top

Crystal data top

(C₇H₁₀N)₄[Mo₁₂O₄₀P]NO₃	F(000) = 4424
M_r = 2316.90	D_x = 2.579 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 380 reflections
a = 24.271 (6) Å	θ = 7.5–27.1°
b = 11.200 (3) Å	µ = 2.56 mm⁻¹
c = 23.316 (6) Å	T = 291 K
β = 109.679 (3)°	Needle, black
V = 5968 (3) Å³	0.27 × 0.12 × 0.11 mm
Z = 4

Data collection top

Bruker SMART CCD area-detector diffractometer	6338 independent reflections
Radiation source: fine-focus sealed tube	4283 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.055
φ and ω scans	θ_max = 27.1°, θ_min = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −24→30
T_min = 0.693, T_max = 0.757	k = −14→13
16331 measured reflections	l = −23→29

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.081	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.183	H-atom parameters constrained
S = 1.11	w = 1/[σ²(F_o²) + (0.0788P)² + 19.95P] where P = (F_o² + 2F_c²)/3
6338 reflections	(Δ/σ)_max < 0.001
471 parameters	Δρ_max = 1.47 e Å⁻³
77 restraints	Δρ_min = −0.96 e Å⁻³

Special details top

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
C1A	0.0689 (8)	0.1219 (19)	0.3841 (10)	0.105 (7)
H1A	0.0919	0.0946	0.3620	0.126*
C2A	0.0875 (8)	0.2150 (15)	0.4232 (9)	0.086 (6)
H2A	0.1226	0.2517	0.4258	0.103*
C3A	0.0575 (8)	0.2573 (18)	0.4589 (8)	0.093 (7)
C4A	0.0030 (10)	0.209 (3)	0.4485 (11)	0.157 (12)
H4A	−0.0219	0.2391	0.4677	0.188*
C5A	−0.0135 (9)	0.116 (3)	0.4098 (11)	0.151 (11)
H5A	−0.0495	0.0812	0.4056	0.181*
C6A	−0.0104 (12)	−0.028 (2)	0.3302 (12)	0.158 (12)
H6A	−0.0473	−0.0518	0.3332	0.237*
H6B	0.0153	−0.0957	0.3377	0.237*
H6C	−0.0163	0.0025	0.2901	0.237*
C7A	0.0745 (12)	0.363 (3)	0.5004 (11)	0.154 (11)
H7A	0.1116	0.3932	0.5006	0.231*
H7B	0.0773	0.3399	0.5409	0.231*
H7C	0.0453	0.4244	0.4862	0.231*
C1B	0.2656 (9)	0.7493 (11)	0.1978 (7)	0.073 (6)
H1B	0.2838	0.8088	0.1829	0.087*
C2B	0.2061 (9)	0.7433 (16)	0.1807 (7)	0.093 (7)
H2B	0.1845	0.8019	0.1545	0.111*
C3B	0.1763 (8)	0.6576 (15)	0.1994 (7)	0.068 (5)
C4B	0.2099 (8)	0.5771 (14)	0.2390 (6)	0.068 (5)
H4B	0.1918	0.5168	0.2535	0.082*
C5B	0.2693 (8)	0.5810 (14)	0.2584 (7)	0.066 (4)
H5B	0.2908	0.5251	0.2865	0.079*
C6B	0.3622 (9)	0.6689 (19)	0.2571 (11)	0.114 (8)
H6D	0.3783	0.6039	0.2845	0.171*
H6E	0.3759	0.7432	0.2775	0.171*
H6F	0.3743	0.6623	0.2221	0.171*
C7B	0.1118 (9)	0.659 (2)	0.1761 (11)	0.134 (10)
H7D	0.0984	0.7265	0.1498	0.200*
H7E	0.0974	0.6639	0.2096	0.200*
H7F	0.0977	0.5868	0.1536	0.200*
N1A	0.0166 (7)	0.0684 (15)	0.3770 (7)	0.101 (6)
N1B	0.2973 (7)	0.6649 (11)	0.2375 (6)	0.080 (4)
N2	0.0000	0.453 (3)	0.2500	0.17 (2)
O31	0.0023 (18)	0.390 (4)	0.2063 (18)	0.46 (4)
O32	0.0000	0.562 (3)	0.2500	0.214 (16)
O1	0.2483 (6)	0.8311 (11)	0.4462 (6)	0.022 (3)	0.50
O2	0.1975 (6)	0.7237 (11)	0.4450 (5)	0.021 (3)	0.50
O3	0.2521 (6)	0.6206 (12)	0.4777 (6)	0.023 (3)	0.50
O4	0.3060 (6)	0.7313 (11)	0.4857 (6)	0.023 (3)	0.50
O5	0.1359 (5)	0.8679 (9)	0.2750 (4)	0.062 (3)
O6	0.2446 (4)	1.1940 (7)	0.4333 (4)	0.055 (2)
O7	0.3630 (4)	0.8794 (8)	0.3562 (4)	0.057 (3)
O8	0.0223 (4)	0.7342 (9)	0.4178 (5)	0.060 (3)
O9	0.1427 (4)	0.4226 (9)	0.3439 (4)	0.065 (3)
O10	0.3712 (4)	0.4385 (9)	0.4263 (4)	0.061 (3)
O11	0.1867 (12)	0.9964 (19)	0.3745 (8)	0.027 (3)	0.466 (8)
O12	0.2507 (11)	0.836 (2)	0.3356 (9)	0.037 (3)	0.466 (8)
O13	0.1229 (10)	0.829 (3)	0.3906 (15)	0.035 (4)	0.466 (8)
O14	0.1857 (7)	0.6719 (18)	0.3515 (9)	0.023 (3)	0.466 (8)
O15	0.3057 (9)	1.0036 (14)	0.4157 (8)	0.020 (3)	0.466 (8)
O16	0.3183 (8)	0.672 (2)	0.4005 (11)	0.026 (3)	0.466 (8)
O17	0.126 (2)	0.608 (5)	0.423 (3)	0.049 (8)	0.466 (8)
O18	0.2551 (15)	0.485 (2)	0.3873 (14)	0.037 (4)	0.466 (8)
O19	0.1255 (11)	0.661 (4)	0.5220 (19)	0.046 (5)	0.466 (8)
O20	0.4063 (10)	0.614 (3)	0.5125 (13)	0.035 (6)	0.466 (8)
O21	0.3028 (14)	1.0827 (16)	0.5349 (15)	0.038 (4)	0.466 (8)
O22	0.3127 (12)	0.4274 (19)	0.5018 (12)	0.034 (6)	0.466 (8)
O11A	0.1910 (10)	0.9667 (16)	0.3981 (7)	0.027 (3)	0.534 (8)
O12A	0.2489 (10)	0.8075 (19)	0.3588 (8)	0.037 (3)	0.534 (8)
O13A	0.1018 (9)	0.813 (2)	0.3722 (12)	0.035 (4)	0.534 (8)
O14A	0.1614 (6)	0.6571 (15)	0.3367 (7)	0.023 (3)	0.534 (8)
O15A	0.3084 (7)	0.9678 (12)	0.4391 (6)	0.020 (3)	0.534 (8)
O16A	0.3418 (7)	0.6656 (17)	0.4010 (9)	0.026 (3)	0.534 (8)
O17A	0.1044 (17)	0.584 (4)	0.408 (2)	0.049 (8)	0.534 (8)
O18A	0.2556 (13)	0.530 (2)	0.4001 (12)	0.037 (4)	0.534 (8)
O19A	0.1021 (9)	0.669 (3)	0.5217 (16)	0.046 (5)	0.534 (8)
O20A	0.3819 (9)	0.615 (2)	0.5142 (12)	0.036 (5)	0.534 (8)
O21A	0.3047 (12)	1.0333 (14)	0.5309 (12)	0.038 (4)	0.534 (8)
O22A	0.3100 (11)	0.4715 (18)	0.5128 (10)	0.041 (5)	0.534 (8)
P1	0.2500	0.7500	0.5000	0.0213 (7)
Mo1	0.17246 (5)	0.83217 (9)	0.34685 (4)	0.0400 (3)
Mo2	0.24700 (5)	1.05270 (8)	0.45364 (5)	0.0373 (3)
Mo3	0.32760 (5)	0.83895 (9)	0.40202 (5)	0.0409 (3)
Mo4	0.09488 (4)	0.73704 (9)	0.44331 (5)	0.0377 (3)
Mo5	0.17804 (5)	0.52725 (8)	0.39265 (4)	0.0344 (3)
Mo6	0.33343 (5)	0.53714 (8)	0.45088 (5)	0.0343 (3)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1A	0.037 (11)	0.129 (19)	0.15 (2)	0.020 (12)	0.028 (12)	0.022 (16)
C2A	0.071 (13)	0.065 (11)	0.118 (16)	−0.007 (10)	0.026 (12)	0.050 (11)
C3A	0.071 (13)	0.147 (19)	0.075 (12)	−0.042 (13)	0.042 (11)	0.006 (11)
C4A	0.13 (2)	0.27 (3)	0.113 (19)	−0.10 (2)	0.099 (18)	−0.07 (2)
C5A	0.071 (14)	0.28 (3)	0.119 (18)	−0.100 (18)	0.052 (14)	−0.08 (2)
C6A	0.13 (2)	0.18 (3)	0.11 (2)	0.02 (2)	−0.021 (17)	−0.055 (19)
C7A	0.13 (2)	0.21 (3)	0.110 (19)	−0.05 (2)	0.033 (17)	−0.08 (2)
C1B	0.142 (19)	0.027 (7)	0.071 (11)	−0.002 (10)	0.064 (12)	0.007 (7)
C2B	0.128 (19)	0.091 (15)	0.039 (9)	0.060 (15)	0.002 (11)	−0.001 (9)
C3B	0.078 (13)	0.072 (11)	0.063 (10)	0.003 (10)	0.034 (10)	−0.031 (9)
C4B	0.113 (16)	0.058 (9)	0.040 (8)	0.002 (10)	0.033 (9)	−0.001 (7)
C5B	0.095 (14)	0.056 (9)	0.049 (9)	0.002 (10)	0.027 (9)	0.001 (7)
C6B	0.059 (13)	0.114 (17)	0.18 (2)	−0.030 (12)	0.051 (14)	−0.077 (16)
C7B	0.080 (17)	0.13 (2)	0.16 (2)	0.001 (14)	−0.002 (15)	−0.076 (17)
N1A	0.079 (12)	0.130 (15)	0.066 (10)	0.025 (11)	−0.013 (9)	0.023 (10)
N1B	0.104 (13)	0.057 (8)	0.085 (10)	0.015 (9)	0.041 (9)	−0.022 (8)
N2	0.15 (3)	0.10 (2)	0.14 (3)	0.000	−0.09 (3)	0.000
O31	0.20 (3)	0.70 (8)	0.37 (6)	−0.01 (5)	−0.04 (4)	−0.32 (6)
O32	0.25 (4)	0.27 (5)	0.17 (3)	0.000	0.13 (3)	0.000
O1	0.015 (6)	0.024 (6)	0.027 (6)	0.008 (5)	0.007 (5)	−0.003 (5)
O2	0.022 (8)	0.027 (7)	0.013 (6)	0.003 (6)	0.004 (6)	0.000 (5)
O3	0.012 (7)	0.032 (7)	0.021 (7)	−0.007 (6)	0.001 (5)	−0.014 (5)
O4	0.018 (7)	0.025 (7)	0.029 (7)	0.004 (6)	0.010 (6)	−0.003 (6)
O5	0.086 (8)	0.070 (6)	0.025 (5)	0.022 (6)	0.010 (5)	0.011 (4)
O6	0.053 (6)	0.031 (4)	0.079 (7)	0.008 (4)	0.020 (5)	0.023 (4)
O7	0.071 (7)	0.066 (6)	0.051 (6)	−0.016 (5)	0.040 (5)	−0.001 (5)
O8	0.018 (4)	0.083 (7)	0.072 (7)	0.001 (5)	0.007 (4)	−0.003 (5)
O9	0.063 (7)	0.078 (7)	0.058 (6)	−0.035 (6)	0.024 (5)	−0.041 (5)
O10	0.049 (6)	0.073 (7)	0.060 (6)	0.016 (5)	0.018 (5)	−0.026 (5)
O11	0.036 (6)	0.027 (9)	0.010 (9)	0.015 (6)	−0.001 (9)	−0.006 (6)
O12	0.038 (6)	0.053 (11)	0.027 (11)	−0.003 (7)	0.020 (9)	−0.003 (8)
O13	0.020 (13)	0.029 (8)	0.054 (15)	−0.012 (10)	0.011 (10)	−0.010 (9)
O14	0.014 (7)	0.027 (4)	0.027 (6)	0.000 (6)	0.006 (6)	0.006 (4)
O15	0.036 (5)	0.010 (6)	0.021 (8)	−0.012 (5)	0.018 (6)	−0.006 (4)
O16	0.022 (8)	0.029 (3)	0.028 (4)	−0.006 (6)	0.010 (7)	−0.002 (3)
O17	0.07 (3)	0.033 (17)	0.06 (2)	0.002 (13)	0.04 (2)	0.003 (12)
O18	0.036 (6)	0.049 (15)	0.029 (11)	−0.002 (11)	0.014 (7)	−0.015 (8)
O19	0.040 (14)	0.039 (7)	0.048 (6)	−0.006 (13)	0.002 (12)	0.001 (5)
O20	0.028 (15)	0.051 (12)	0.031 (11)	−0.010 (14)	0.015 (13)	0.001 (8)
O21	0.032 (5)	0.020 (10)	0.061 (7)	0.009 (10)	0.016 (5)	0.016 (10)
O22	0.035 (9)	0.027 (9)	0.039 (9)	−0.002 (8)	0.011 (7)	−0.002 (7)
O11A	0.036 (6)	0.027 (9)	0.010 (9)	0.015 (6)	−0.001 (9)	−0.006 (6)
O12A	0.038 (6)	0.053 (11)	0.027 (11)	−0.003 (7)	0.020 (9)	−0.003 (8)
O13A	0.020 (13)	0.029 (8)	0.054 (15)	−0.012 (10)	0.011 (10)	−0.010 (9)
O14A	0.014 (7)	0.027 (4)	0.027 (6)	0.000 (6)	0.006 (6)	0.006 (4)
O15A	0.036 (5)	0.010 (6)	0.021 (8)	−0.012 (5)	0.018 (6)	−0.006 (4)
O16A	0.022 (8)	0.029 (3)	0.028 (4)	−0.006 (6)	0.010 (7)	−0.002 (3)
O17A	0.07 (3)	0.033 (17)	0.06 (2)	0.002 (13)	0.04 (2)	0.003 (12)
O18A	0.036 (6)	0.049 (15)	0.029 (11)	−0.002 (11)	0.014 (7)	−0.015 (8)
O19A	0.040 (14)	0.039 (7)	0.048 (6)	−0.006 (13)	0.002 (12)	0.001 (5)
O20A	0.024 (12)	0.042 (10)	0.040 (11)	−0.019 (11)	0.009 (11)	−0.004 (7)
O21A	0.032 (5)	0.020 (10)	0.061 (7)	0.009 (10)	0.016 (5)	0.016 (10)
O22A	0.049 (12)	0.040 (13)	0.045 (12)	0.011 (11)	0.032 (9)	0.005 (10)
P1	0.0182 (19)	0.0210 (17)	0.0251 (19)	0.0017 (15)	0.0079 (15)	−0.0025 (14)
Mo1	0.0436 (7)	0.0442 (6)	0.0242 (5)	0.0094 (5)	0.0009 (5)	−0.0003 (4)
Mo2	0.0387 (6)	0.0217 (5)	0.0492 (7)	0.0030 (4)	0.0118 (5)	0.0049 (4)
Mo3	0.0473 (7)	0.0429 (6)	0.0442 (6)	−0.0052 (5)	0.0305 (5)	−0.0035 (5)
Mo4	0.0213 (5)	0.0481 (6)	0.0413 (6)	0.0023 (5)	0.0076 (5)	−0.0029 (5)
Mo5	0.0380 (6)	0.0318 (5)	0.0310 (5)	−0.0055 (5)	0.0086 (5)	−0.0081 (4)
Mo6	0.0365 (6)	0.0291 (5)	0.0417 (6)	0.0081 (5)	0.0190 (5)	−0.0029 (4)

Geometric parameters (Å, º) top

C1A—C2A	1.360 (17)	O11—Mo2	2.03 (2)
C1A—N1A	1.361 (16)	O12—Mo3	1.98 (3)
C1A—H1A	0.9300	O12—Mo1	2.00 (2)
C2A—C3A	1.360 (16)	O13—Mo1	1.82 (3)
C2A—H2A	0.9300	O13—Mo4	1.90 (4)
C3A—C4A	1.376 (16)	O14—Mo1	1.82 (2)
C3A—C7A	1.50 (3)	O14—Mo5	1.92 (2)
C4A—C5A	1.35 (2)	O15—Mo3	1.974 (17)
C4A—H4A	0.9300	O15—Mo2	1.991 (18)
C5A—N1A	1.334 (16)	O16—Mo6	1.87 (2)
C5A—H5A	0.9300	O16—Mo3	1.89 (2)
C6A—N1A	1.52 (2)	O17—Mo4	1.76 (6)
C6A—H6A	0.9600	O17—Mo5	1.88 (6)
C6A—H6B	0.9600	O18—Mo5	1.97 (3)
C6A—H6C	0.9600	O18—Mo6	2.06 (3)
C7A—H7A	0.9600	O19—Mo3ⁱⁱ	1.75 (4)
C7A—H7B	0.9600	O19—Mo4	1.93 (4)
C7A—H7C	0.9600	O20—Mo4ⁱⁱ	1.97 (3)
C1B—C2B	1.363 (16)	O20—Mo6	2.05 (3)
C1B—N1B	1.366 (15)	O21—Mo2	1.95 (3)
C1B—H1B	0.9300	O21—Mo5ⁱⁱ	2.01 (3)
C2B—C3B	1.359 (16)	O22—Mo6	1.89 (3)
C2B—H2B	0.9300	O22—Mo2ⁱⁱ	2.06 (3)
C3B—C4B	1.351 (15)	O11A—Mo2	1.81 (2)
C3B—C7B	1.47 (2)	O11A—Mo1	1.881 (19)
C4B—C5B	1.358 (15)	O12A—Mo1	1.80 (2)
C4B—H4B	0.9300	O12A—Mo3	1.87 (2)
C5B—N1B	1.344 (14)	O13A—Mo4	1.92 (3)
C5B—H5B	0.9300	O13A—Mo1	2.00 (3)
C6B—N1B	1.48 (2)	O14A—Mo5	1.904 (17)
C6B—H6D	0.9600	O14A—Mo1	1.983 (17)
C6B—H6E	0.9600	O15A—Mo3	1.822 (14)
C6B—H6F	0.9600	O15A—Mo2	1.892 (16)
C7B—H7D	0.9600	O16A—Mo6	1.903 (18)
C7B—H7E	0.9600	O16A—Mo3	1.974 (19)
C7B—H7F	0.9600	O17A—Mo4	1.95 (4)
N2—O32	1.23 (3)	O17A—Mo5	2.03 (5)
N2—O31	1.25 (3)	O18A—Mo5	1.83 (3)
N2—O31ⁱ	1.25 (3)	O18A—Mo6	1.86 (3)
O1—P1	1.538 (13)	O19A—Mo4	1.93 (4)
O1—Mo1	2.425 (13)	O19A—Mo3ⁱⁱ	2.01 (3)
O1—Mo3	2.471 (13)	O20A—Mo6	1.78 (2)
O1—Mo2	2.489 (12)	O20A—Mo4ⁱⁱ	1.92 (3)
O2—P1	1.501 (13)	O21A—Mo5ⁱⁱ	1.82 (3)
O2—Mo1	2.479 (12)	O21A—Mo2	1.89 (3)
O2—Mo4	2.482 (14)	O22A—Mo2ⁱⁱ	1.82 (2)
O2—Mo5	2.484 (12)	O22A—Mo6	1.87 (2)
O3—P1	1.547 (13)	P1—O2ⁱⁱ	1.501 (13)
O3—Mo5	2.420 (12)	P1—O4ⁱⁱ	1.518 (13)
O3—Mo6	2.447 (13)	P1—O1ⁱⁱ	1.538 (13)
O3—Mo2ⁱⁱ	2.512 (14)	P1—O3ⁱⁱ	1.547 (13)
O4—P1	1.518 (13)	Mo2—O22Aⁱⁱ	1.82 (2)
O4—Mo4ⁱⁱ	2.444 (14)	Mo2—O22ⁱⁱ	2.06 (3)
O4—Mo6	2.490 (12)	Mo2—O3ⁱⁱ	2.512 (14)
O4—Mo3	2.496 (13)	Mo3—O7	1.645 (8)
O5—Mo1	1.658 (8)	Mo3—O19ⁱⁱ	1.75 (4)
O6—Mo2	1.648 (8)	Mo3—O19Aⁱⁱ	2.01 (3)
O7—Mo3	1.645 (8)	Mo4—O20Aⁱⁱ	1.92 (3)
O8—Mo4	1.660 (9)	Mo4—O20ⁱⁱ	1.97 (3)
O9—Mo5	1.656 (8)	Mo4—O4ⁱⁱ	2.444 (14)
O10—Mo6	1.657 (8)	Mo5—O21Aⁱⁱ	1.82 (3)
O11—Mo1	1.94 (2)	Mo5—O21ⁱⁱ	2.01 (3)

C2A—C1A—N1A	120.3 (19)	O11A—Mo2—O11	17.4 (8)
C2A—C1A—H1A	119.9	O22Aⁱⁱ—Mo2—O11	85.7 (10)
N1A—C1A—H1A	119.9	O21A—Mo2—O11	155.3 (8)
C1A—C2A—C3A	123.6 (18)	O15A—Mo2—O11	93.0 (8)
C1A—C2A—H2A	118.2	O21—Mo2—O11	171.0 (9)
C3A—C2A—H2A	118.2	O15—Mo2—O11	85.1 (9)
C2A—C3A—C4A	115.8 (18)	O6—Mo2—O22ⁱⁱ	94.6 (7)
C2A—C3A—C7A	125.7 (18)	O11A—Mo2—O22ⁱⁱ	86.1 (10)
C4A—C3A—C7A	117.8 (19)	O22Aⁱⁱ—Mo2—O22ⁱⁱ	15.4 (9)
C5A—C4A—C3A	118 (2)	O21A—Mo2—O22ⁱⁱ	87.3 (11)
C5A—C4A—H4A	120.8	O15A—Mo2—O22ⁱⁱ	151.0 (8)
C3A—C4A—H4A	120.8	O21—Mo2—O22ⁱⁱ	82.4 (12)
N1A—C5A—C4A	126.6 (19)	O15—Mo2—O22ⁱⁱ	169.8 (8)
N1A—C5A—H5A	116.7	O11—Mo2—O22ⁱⁱ	94.5 (10)
C4A—C5A—H5A	116.7	O6—Mo2—O1	159.6 (5)
N1A—C6A—H6A	109.5	O11A—Mo2—O1	56.1 (6)
N1A—C6A—H6B	109.5	O22Aⁱⁱ—Mo2—O1	84.9 (7)
H6A—C6A—H6B	109.5	O21A—Mo2—O1	85.9 (6)
N1A—C6A—H6C	109.5	O15A—Mo2—O1	57.1 (5)
H6A—C6A—H6C	109.5	O21—Mo2—O1	102.6 (6)
H6B—C6A—H6C	109.5	O15—Mo2—O1	70.5 (5)
C3A—C7A—H7A	109.5	O11—Mo2—O1	69.5 (7)
C3A—C7A—H7B	109.5	O22ⁱⁱ—Mo2—O1	99.8 (7)
H7A—C7A—H7B	109.5	O6—Mo2—O3ⁱⁱ	156.6 (4)
C3A—C7A—H7C	109.5	O11A—Mo2—O3ⁱⁱ	83.6 (6)
H7A—C7A—H7C	109.5	O22Aⁱⁱ—Mo2—O3ⁱⁱ	57.1 (7)
H7B—C7A—H7C	109.5	O21A—Mo2—O3ⁱⁱ	57.1 (7)
C2B—C1B—N1B	117.7 (14)	O15A—Mo2—O3ⁱⁱ	83.5 (5)
C2B—C1B—H1B	121.2	O21—Mo2—O3ⁱⁱ	70.1 (7)
N1B—C1B—H1B	121.2	O15—Mo2—O3ⁱⁱ	102.5 (5)
C3B—C2B—C1B	124.5 (16)	O11—Mo2—O3ⁱⁱ	100.9 (6)
C3B—C2B—H2B	117.7	O22ⁱⁱ—Mo2—O3ⁱⁱ	67.6 (7)
C1B—C2B—H2B	117.7	O1—Mo2—O3ⁱⁱ	43.6 (4)
C4B—C3B—C2B	115.2 (16)	O7—Mo3—O7	0.0 (4)
C4B—C3B—C7B	125.5 (19)	O7—Mo3—O19ⁱⁱ	110.6 (11)
C2B—C3B—C7B	119.3 (19)	O7—Mo3—O19ⁱⁱ	110.6 (11)
C3B—C4B—C5B	122.3 (16)	O7—Mo3—O15A	111.3 (5)
C3B—C4B—H4B	118.8	O7—Mo3—O15A	111.3 (5)
C5B—C4B—H4B	118.8	O19ⁱⁱ—Mo3—O15A	72.6 (13)
N1B—C5B—C4B	120.8 (16)	O7—Mo3—O12A	111.4 (6)
N1B—C5B—H5B	119.6	O7—Mo3—O12A	111.4 (6)
C4B—C5B—H5B	119.6	O19ⁱⁱ—Mo3—O12A	137.9 (11)
N1B—C6B—H6D	109.5	O15A—Mo3—O12A	91.6 (8)
N1B—C6B—H6E	109.5	O7—Mo3—O16	110.3 (7)
H6D—C6B—H6E	109.5	O7—Mo3—O16	110.3 (7)
N1B—C6B—H6F	109.5	O19ⁱⁱ—Mo3—O16	93.1 (16)
H6D—C6B—H6F	109.5	O15A—Mo3—O16	138.4 (7)
H6E—C6B—H6F	109.5	O12A—Mo3—O16	73.1 (9)
C3B—C7B—H7D	109.5	O7—Mo3—O16A	97.6 (6)
C3B—C7B—H7E	109.5	O7—Mo3—O16A	97.6 (6)
H7D—C7B—H7E	109.5	O19ⁱⁱ—Mo3—O16A	87.6 (15)
C3B—C7B—H7F	109.5	O15A—Mo3—O16A	149.1 (7)
H7D—C7B—H7F	109.5	O12A—Mo3—O16A	87.7 (8)
H7E—C7B—H7F	109.5	O16—Mo3—O16A	16.8 (6)
C5A—N1A—C1A	115.1 (18)	O7—Mo3—O15	94.4 (6)
C5A—N1A—C6A	121 (2)	O7—Mo3—O15	94.4 (6)
C1A—N1A—C6A	124 (2)	O19ⁱⁱ—Mo3—O15	87.3 (14)
C5B—N1B—C1B	119.4 (15)	O15A—Mo3—O15	19.6 (4)
C5B—N1B—C6B	121.5 (16)	O12A—Mo3—O15	89.0 (9)
C1B—N1B—C6B	119.1 (17)	O16—Mo3—O15	153.4 (7)
O32—N2—O31	124 (3)	O16A—Mo3—O15	168.0 (6)
O32—N2—O31ⁱ	124 (3)	O7—Mo3—O12	93.3 (6)
O31—N2—O31ⁱ	112 (6)	O7—Mo3—O12	93.3 (6)
P1—O1—O2	54.6 (6)	O19ⁱⁱ—Mo3—O12	155.2 (11)
P1—O1—O4	53.7 (6)	O15A—Mo3—O12	93.3 (9)
O2—O1—O4	90.2 (8)	O12A—Mo3—O12	18.9 (6)
P1—O1—Mo1	125.8 (7)	O16—Mo3—O12	84.0 (10)
O2—O1—Mo1	71.2 (6)	O16A—Mo3—O12	95.7 (9)
O4—O1—Mo1	135.0 (7)	O15—Mo3—O12	84.6 (9)
P1—O1—Mo3	123.4 (7)	O7—Mo3—O19Aⁱⁱ	96.5 (9)
O2—O1—Mo3	132.4 (7)	O7—Mo3—O19Aⁱⁱ	96.5 (9)
O4—O1—Mo3	69.7 (6)	O19ⁱⁱ—Mo3—O19Aⁱⁱ	15.8 (16)
Mo1—O1—Mo3	92.8 (4)	O15A—Mo3—O19Aⁱⁱ	83.9 (11)
P1—O1—Mo2	122.0 (6)	O12A—Mo3—O19Aⁱⁱ	151.4 (10)
O2—O1—Mo2	132.4 (8)	O16—Mo3—O19Aⁱⁱ	91.8 (12)
O4—O1—Mo2	127.9 (8)	O16A—Mo3—O19Aⁱⁱ	82.2 (12)
Mo1—O1—Mo2	92.2 (4)	O15—Mo3—O19Aⁱⁱ	95.4 (11)
Mo3—O1—Mo2	91.4 (4)	O12—Mo3—O19Aⁱⁱ	170.2 (10)
P1—O2—O1	56.7 (6)	O7—Mo3—O1	158.7 (5)
P1—O2—O4ⁱⁱ	55.7 (6)	O7—Mo3—O1	158.7 (5)
O1—O2—O4ⁱⁱ	92.4 (9)	O19ⁱⁱ—Mo3—O1	84.9 (10)
P1—O2—O3	56.7 (6)	O15A—Mo3—O1	58.1 (5)
O1—O2—O3	91.2 (9)	O12A—Mo3—O1	54.5 (6)
O4ⁱⁱ—O2—O3	93.1 (8)	O16—Mo3—O1	82.4 (6)
P1—O2—Mo1	124.5 (7)	O16A—Mo3—O1	97.7 (5)
O1—O2—Mo1	67.8 (6)	O15—Mo3—O1	71.1 (6)
O4ⁱⁱ—O2—Mo1	130.5 (8)	O12—Mo3—O1	70.4 (6)
O3—O2—Mo1	130.3 (8)	O19Aⁱⁱ—Mo3—O1	100.3 (9)
P1—O2—Mo4	124.1 (7)	O7—Mo3—O4	159.2 (5)
O1—O2—Mo4	132.1 (8)	O7—Mo3—O4	159.2 (5)
O4ⁱⁱ—O2—Mo4	68.4 (6)	O19ⁱⁱ—Mo3—O4	56.4 (13)
O3—O2—Mo4	131.6 (8)	O15A—Mo3—O4	81.7 (5)
Mo1—O2—Mo4	91.3 (4)	O12A—Mo3—O4	83.4 (6)
P1—O2—Mo5	124.0 (7)	O16—Mo3—O4	58.6 (7)
O1—O2—Mo5	130.2 (7)	O16A—Mo3—O4	67.5 (6)
O4ⁱⁱ—O2—Mo5	131.3 (8)	O15—Mo3—O4	100.7 (5)
O3—O2—Mo5	67.4 (6)	O12—Mo3—O4	102.3 (6)
Mo1—O2—Mo5	91.9 (4)	O19Aⁱⁱ—Mo3—O4	68.0 (10)
Mo4—O2—Mo5	91.2 (4)	O1—Mo3—O4	42.1 (4)
P1—O3—O2	54.2 (6)	O8—Mo4—O17	112.4 (12)
P1—O3—O4	54.1 (6)	O8—Mo4—O13	110.3 (8)
O2—O3—O4	90.4 (9)	O17—Mo4—O13	89 (2)
P1—O3—Mo5	125.5 (7)	O8—Mo4—O20Aⁱⁱ	107.1 (7)
O2—O3—Mo5	71.3 (6)	O17—Mo4—O20Aⁱⁱ	140.5 (13)
O4—O3—Mo5	135.2 (8)	O13—Mo4—O20Aⁱⁱ	75.9 (11)
P1—O3—Mo6	124.4 (7)	O8—Mo4—O13A	95.2 (7)
O2—O3—Mo6	135.0 (8)	O17—Mo4—O13A	88 (2)
O4—O3—Mo6	70.3 (6)	O13—Mo4—O13A	17.3 (7)
Mo5—O3—Mo6	93.8 (4)	O20Aⁱⁱ—Mo4—O13A	88.0 (10)
P1—O3—Mo2ⁱⁱ	120.3 (7)	O8—Mo4—O19	110.8 (9)
O2—O3—Mo2ⁱⁱ	129.6 (8)	O17—Mo4—O19	81 (2)
O4—O3—Mo2ⁱⁱ	128.9 (8)	O13—Mo4—O19	138.4 (11)
Mo5—O3—Mo2ⁱⁱ	91.9 (4)	O20Aⁱⁱ—Mo4—O19	86.6 (15)
Mo6—O3—Mo2ⁱⁱ	91.9 (5)	O13A—Mo4—O19	154.0 (11)
P1—O4—O2ⁱⁱ	54.8 (6)	O8—Mo4—O19A	94.5 (7)
P1—O4—O3	55.6 (6)	O17—Mo4—O19A	92 (2)
O2ⁱⁱ—O4—O3	92.1 (9)	O13—Mo4—O19A	152.7 (11)
P1—O4—O1	54.8 (6)	O20Aⁱⁱ—Mo4—O19A	86.2 (13)
O2ⁱⁱ—O4—O1	91.4 (8)	O13A—Mo4—O19A	169.9 (9)
O3—O4—O1	87.8 (9)	O19—Mo4—O19A	17.2 (11)
P1—O4—Mo4ⁱⁱ	125.6 (7)	O8—Mo4—O17A	95.4 (11)
O2ⁱⁱ—O4—Mo4ⁱⁱ	70.7 (6)	O17—Mo4—O17A	17 (2)
O3—O4—Mo4ⁱⁱ	134.3 (8)	O13—Mo4—O17A	94.8 (18)
O1—O4—Mo4ⁱⁱ	132.9 (8)	O20Aⁱⁱ—Mo4—O17A	157.4 (12)
P1—O4—Mo6	123.4 (7)	O13A—Mo4—O17A	88.1 (17)
O2ⁱⁱ—O4—Mo6	131.7 (8)	O19—Mo4—O17A	87.2 (19)
O3—O4—Mo6	67.8 (6)	O19A—Mo4—O17A	94.1 (19)
O1—O4—Mo6	128.9 (8)	O8—Mo4—O20ⁱⁱ	90.1 (7)
Mo4ⁱⁱ—O4—Mo6	92.1 (4)	O17—Mo4—O20ⁱⁱ	156.9 (14)
P1—O4—Mo3	123.0 (7)	O13—Mo4—O20ⁱⁱ	87.1 (12)
O2ⁱⁱ—O4—Mo3	133.0 (8)	O20Aⁱⁱ—Mo4—O20ⁱⁱ	17.9 (6)
O3—O4—Mo3	126.8 (8)	O13A—Mo4—O20ⁱⁱ	95.5 (11)
O1—O4—Mo3	68.2 (6)	O19—Mo4—O20ⁱⁱ	87.0 (15)
Mo4ⁱⁱ—O4—Mo3	92.3 (4)	O19A—Mo4—O20ⁱⁱ	81.4 (14)
Mo6—O4—Mo3	91.0 (4)	O17A—Mo4—O20ⁱⁱ	173.1 (16)
Mo1—O11—Mo2	126.1 (10)	O8—Mo4—O4ⁱⁱ	158.4 (5)
Mo3—O12—Mo1	125.6 (9)	O17—Mo4—O4ⁱⁱ	83.9 (13)
Mo1—O13—Mo4	145 (2)	O13—Mo4—O4ⁱⁱ	82.7 (7)
Mo1—O14—Mo5	144.6 (11)	O20Aⁱⁱ—Mo4—O4ⁱⁱ	58.2 (8)
Mo3—O15—Mo2	127.0 (8)	O13A—Mo4—O4ⁱⁱ	99.7 (6)
Mo6—O16—Mo3	142.3 (14)	O19—Mo4—O4ⁱⁱ	56.3 (10)
Mo4—O17—Mo5	154 (3)	O19A—Mo4—O4ⁱⁱ	70.2 (8)
Mo5—O18—Mo6	123.4 (10)	O17A—Mo4—O4ⁱⁱ	100.6 (12)
Mo3ⁱⁱ—O19—Mo4	150 (2)	O20ⁱⁱ—Mo4—O4ⁱⁱ	73.0 (8)
Mo4ⁱⁱ—O20—Mo6	124.0 (13)	O8—Mo4—O2	160.6 (5)
Mo2—O21—Mo5ⁱⁱ	126.7 (12)	O17—Mo4—O2	56.1 (13)
Mo6—O22—Mo2ⁱⁱ	128.9 (12)	O13—Mo4—O2	57.8 (9)
Mo2—O11A—Mo1	147.5 (12)	O20Aⁱⁱ—Mo4—O2	85.7 (7)
Mo1—O12A—Mo3	150.1 (12)	O13A—Mo4—O2	70.3 (7)
Mo4—O13A—Mo1	129.2 (13)	O19—Mo4—O2	83.9 (8)
Mo5—O14A—Mo1	133.2 (8)	O19A—Mo4—O2	101.0 (7)
Mo3—O15A—Mo2	145.6 (9)	O17A—Mo4—O2	72.1 (11)
Mo6—O16A—Mo3	133.0 (10)	O20ⁱⁱ—Mo4—O2	103.6 (7)
Mo4—O17A—Mo5	125.7 (14)	O4ⁱⁱ—Mo4—O2	40.9 (4)
Mo5—O18A—Mo6	148.3 (14)	O9—Mo5—O21Aⁱⁱ	107.7 (8)
Mo4—O19A—Mo3ⁱⁱ	129.3 (14)	O9—Mo5—O18A	110.7 (6)
Mo6—O20A—Mo4ⁱⁱ	148.4 (16)	O21Aⁱⁱ—Mo5—O18A	91.3 (12)
Mo5ⁱⁱ—O21A—Mo2	146.2 (15)	O9—Mo5—O17	109.7 (10)
Mo2ⁱⁱ—O22A—Mo6	149.3 (14)	O21Aⁱⁱ—Mo5—O17	77 (2)
O2—P1—O2ⁱⁱ	180.000 (4)	O18A—Mo5—O17	139.6 (11)
O2—P1—O4	110.5 (7)	O9—Mo5—O14A	97.4 (6)
O2ⁱⁱ—P1—O4	69.5 (7)	O21Aⁱⁱ—Mo5—O14A	151.8 (7)
O2—P1—O4ⁱⁱ	69.5 (7)	O18A—Mo5—O14A	91.6 (10)
O2ⁱⁱ—P1—O4ⁱⁱ	110.5 (7)	O17—Mo5—O14A	82.6 (19)
O4—P1—O4ⁱⁱ	180.000 (4)	O9—Mo5—O14	111.6 (7)
O2—P1—O1	68.7 (7)	O21Aⁱⁱ—Mo5—O14	140.7 (8)
O2ⁱⁱ—P1—O1	111.3 (7)	O18A—Mo5—O14	76.4 (10)
O4—P1—O1	71.5 (7)	O17—Mo5—O14	88.3 (18)
O4ⁱⁱ—P1—O1	108.5 (7)	O14A—Mo5—O14	18.0 (5)
O2—P1—O1ⁱⁱ	111.3 (7)	O9—Mo5—O18	93.9 (8)
O2ⁱⁱ—P1—O1ⁱⁱ	68.7 (7)	O21Aⁱⁱ—Mo5—O18	93.5 (13)
O4—P1—O1ⁱⁱ	108.5 (7)	O18A—Mo5—O18	17.1 (9)
O4ⁱⁱ—P1—O1ⁱⁱ	71.5 (7)	O17—Mo5—O18	156.2 (12)
O1—P1—O1ⁱⁱ	180.000 (4)	O14A—Mo5—O18	97.3 (11)
O2—P1—O3	69.1 (7)	O14—Mo5—O18	85.3 (11)
O2ⁱⁱ—P1—O3	110.9 (7)	O9—Mo5—O21ⁱⁱ	93.6 (9)
O4—P1—O3	70.3 (7)	O21Aⁱⁱ—Mo5—O21ⁱⁱ	16.0 (10)
O4ⁱⁱ—P1—O3	109.7 (7)	O18A—Mo5—O21ⁱⁱ	89.4 (13)
O1—P1—O3	105.9 (7)	O17—Mo5—O21ⁱⁱ	89 (2)
O1ⁱⁱ—P1—O3	74.1 (7)	O14A—Mo5—O21ⁱⁱ	167.8 (8)
O2—P1—O3ⁱⁱ	110.9 (7)	O14—Mo5—O21ⁱⁱ	154.1 (10)
O2ⁱⁱ—P1—O3ⁱⁱ	69.1 (7)	O18—Mo5—O21ⁱⁱ	87.1 (13)
O4—P1—O3ⁱⁱ	109.7 (7)	O9—Mo5—O17A	93.3 (9)
O4ⁱⁱ—P1—O3ⁱⁱ	70.3 (7)	O21Aⁱⁱ—Mo5—O17A	82.7 (17)
O1—P1—O3ⁱⁱ	74.1 (7)	O18A—Mo5—O17A	155.9 (9)
O1ⁱⁱ—P1—O3ⁱⁱ	105.9 (7)	O17—Mo5—O17A	16.4 (16)
O3—P1—O3ⁱⁱ	180.0 (9)	O14A—Mo5—O17A	83.3 (15)
O5—Mo1—O12A	111.5 (6)	O14—Mo5—O17A	93.5 (15)
O5—Mo1—O14	108.8 (7)	O18—Mo5—O17A	172.6 (11)
O12A—Mo1—O14	71.8 (8)	O21ⁱⁱ—Mo5—O17A	90.8 (17)
O5—Mo1—O13	109.9 (10)	O9—Mo5—O3	159.7 (5)
O12A—Mo1—O13	138.6 (10)	O21Aⁱⁱ—Mo5—O3	59.7 (8)
O14—Mo1—O13	94.9 (12)	O18A—Mo5—O3	57.3 (7)
O5—Mo1—O11A	112.3 (6)	O17—Mo5—O3	84.1 (12)
O12A—Mo1—O11A	90.6 (10)	O14A—Mo5—O3	99.2 (6)
O14—Mo1—O11A	138.8 (7)	O14—Mo5—O3	82.8 (6)
O13—Mo1—O11A	73.8 (10)	O18—Mo5—O3	72.4 (8)
O5—Mo1—O11	94.7 (6)	O21ⁱⁱ—Mo5—O3	71.3 (9)
O12A—Mo1—O11	92.0 (11)	O17A—Mo5—O3	100.2 (10)
O14—Mo1—O11	155.0 (8)	O9—Mo5—O2	158.9 (5)
O13—Mo1—O11	84.7 (12)	O21Aⁱⁱ—Mo5—O2	84.6 (6)
O11A—Mo1—O11	18.6 (5)	O18A—Mo5—O2	85.4 (6)
O5—Mo1—O14A	96.5 (6)	O17—Mo5—O2	55.3 (11)
O12A—Mo1—O14A	87.6 (8)	O14A—Mo5—O2	67.8 (5)
O14—Mo1—O14A	17.4 (6)	O14—Mo5—O2	57.6 (6)
O13—Mo1—O14A	87.7 (11)	O18—Mo5—O2	102.5 (8)
O11A—Mo1—O14A	149.5 (6)	O21ⁱⁱ—Mo5—O2	100.2 (8)
O11—Mo1—O14A	168.1 (7)	O17A—Mo5—O2	70.8 (9)
O5—Mo1—O12	94.0 (7)	O3—Mo5—O2	41.3 (4)
O12A—Mo1—O12	18.6 (7)	O10—Mo6—O20A	109.0 (8)
O14—Mo1—O12	82.8 (9)	O10—Mo6—O18A	108.2 (6)
O13—Mo1—O12	155.2 (9)	O20A—Mo6—O18A	142.8 (9)
O11A—Mo1—O12	91.7 (10)	O10—Mo6—O16	109.5 (7)
O11—Mo1—O12	87.1 (11)	O20A—Mo6—O16	93.6 (11)
O14A—Mo1—O12	96.0 (8)	O18A—Mo6—O16	72.2 (10)
O5—Mo1—O13A	95.9 (8)	O10—Mo6—O22A	110.6 (7)
O12A—Mo1—O13A	151.3 (9)	O20A—Mo6—O22A	80.7 (11)
O14—Mo1—O13A	91.7 (10)	O18A—Mo6—O22A	88.1 (12)
O13—Mo1—O13A	16.4 (10)	O16—Mo6—O22A	139.1 (8)
O11A—Mo1—O13A	86.7 (9)	O10—Mo6—O22	94.6 (8)
O11—Mo1—O13A	94.4 (11)	O20A—Mo6—O22	92.2 (11)
O14A—Mo1—O13A	80.6 (9)	O18A—Mo6—O22	86.7 (12)
O12—Mo1—O13A	169.8 (10)	O16—Mo6—O22	151.8 (9)
O5—Mo1—O1	160.3 (5)	O22A—Mo6—O22	17.4 (7)
O12A—Mo1—O1	56.0 (6)	O10—Mo6—O16A	96.2 (6)
O14—Mo1—O1	82.9 (6)	O20A—Mo6—O16A	87.7 (10)
O13—Mo1—O1	84.1 (8)	O18A—Mo6—O16A	86.6 (10)
O11A—Mo1—O1	57.0 (6)	O16—Mo6—O16A	17.4 (6)
O11—Mo1—O1	72.2 (6)	O22A—Mo6—O16A	153.0 (8)
O14A—Mo1—O1	97.9 (5)	O22—Mo6—O16A	168.7 (9)
O12—Mo1—O1	71.2 (7)	O10—Mo6—O20	94.2 (9)
O13A—Mo1—O1	99.7 (8)	O20A—Mo6—O20	16.3 (10)
O5—Mo1—O2	158.7 (5)	O18A—Mo6—O20	156.0 (10)
O12A—Mo1—O2	82.1 (6)	O16—Mo6—O20	92.5 (11)
O14—Mo1—O2	58.6 (7)	O22A—Mo6—O20	92.2 (11)
O13—Mo1—O2	58.4 (11)	O22—Mo6—O20	100.4 (11)
O11A—Mo1—O2	82.8 (5)	O16A—Mo6—O20	82.3 (10)
O11—Mo1—O2	101.4 (6)	O10—Mo6—O18	92.6 (7)
O14A—Mo1—O2	66.8 (5)	O20A—Mo6—O18	158.3 (10)
O12—Mo1—O2	100.6 (7)	O18A—Mo6—O18	16.1 (9)
O13A—Mo1—O2	69.2 (9)	O16—Mo6—O18	80.7 (11)
O1—Mo1—O2	40.9 (4)	O22A—Mo6—O18	89.9 (12)
O6—Mo2—O11A	111.1 (6)	O22—Mo6—O18	83.7 (13)
O6—Mo2—O22Aⁱⁱ	108.0 (7)	O16A—Mo6—O18	92.2 (11)
O11A—Mo2—O22Aⁱⁱ	74.5 (10)	O20—Mo6—O18	171.7 (12)
O6—Mo2—O21A	109.2 (6)	O10—Mo6—O3	158.6 (5)
O11A—Mo2—O21A	139.5 (8)	O20A—Mo6—O3	88.0 (8)
O22Aⁱⁱ—Mo2—O21A	90.0 (11)	O18A—Mo6—O3	56.4 (6)
O6—Mo2—O15A	112.6 (5)	O16—Mo6—O3	81.3 (7)
O11A—Mo2—O15A	93.0 (8)	O22A—Mo6—O3	58.2 (7)
O22Aⁱⁱ—Mo2—O15A	139.4 (8)	O22—Mo6—O3	71.3 (8)
O21A—Mo2—O15A	74.7 (9)	O16A—Mo6—O3	97.4 (6)
O6—Mo2—O21	93.5 (7)	O20—Mo6—O3	103.9 (8)
O11A—Mo2—O21	153.6 (9)	O18—Mo6—O3	70.4 (7)
O22Aⁱⁱ—Mo2—O21	89.3 (12)	O10—Mo6—O4	159.3 (5)
O21A—Mo2—O21	16.9 (6)	O20A—Mo6—O4	58.4 (9)
O15A—Mo2—O21	86.0 (9)	O18A—Mo6—O4	85.4 (6)
O6—Mo2—O15	95.6 (6)	O16—Mo6—O4	58.9 (7)
O11A—Mo2—O15	90.7 (8)	O22A—Mo6—O4	84.7 (7)
O22Aⁱⁱ—Mo2—O15	155.3 (8)	O22—Mo6—O4	101.8 (7)
O21A—Mo2—O15	88.8 (9)	O16A—Mo6—O4	68.6 (6)
O15A—Mo2—O15	19.4 (5)	O20—Mo6—O4	70.7 (9)
O21—Mo2—O15	96.5 (10)	O18—Mo6—O4	101.5 (7)
O6—Mo2—O11	95.3 (7)	O3—Mo6—O4	41.9 (4)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C1A—H1A···O11ⁱⁱⁱ	0.93	2.48	3.26 (3)	142
C2A—H2A···O21ⁱⁱ	0.93	2.54	3.38 (3)	151
C4A—H4A···O19A^iv	0.93	2.28	3.17 (4)	159
C6A—H6B···O13Aⁱⁱⁱ	0.96	2.22	3.12 (4)	155
C7A—H7A···O15ⁱⁱ	0.96	2.56	3.27 (3)	131
C7A—H7A···O21ⁱⁱ	0.96	2.50	3.40 (4)	157
C7A—H7A···O15Aⁱⁱ	0.96	2.52	3.31 (3)	140
C7A—H7A···O21Aⁱⁱ	0.96	2.52	3.45 (4)	164
C1B—H1B···O9^v	0.93	2.44	3.34 (2)	162
C1B—H1B···O18^v	0.93	2.53	3.24 (2)	133
C2B—H2B···O10^v	0.93	2.45	3.37 (2)	172
C6B—H6E···O7	0.96	2.49	3.30 (2)	142
C7B—H7F···O7^vi	0.96	2.55	3.32 (2)	138

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

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Tetrakis(1,4-dimethyl­pyridinium) dodeca­molybdo­phosphate nitrate

Supporting information

Key indicators

checkCIF/PLATON results

Tetrakis(1,4-dimethylpyridinium) dodecamolybdophosphate nitrate