Tetra­kis(1,4-dimethyl­pyridinium) dodeca­molybdosilicate

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

doi:10.1107/S1600536805023111

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Tetrakis(1,4-dimethylpyridinium) dodecamolybdosilicate

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

The anion of the title compound, (C₇H₁₀N)₄[SiMo₁₂O₄₀], has a disordered centrosymmetric `pseudo-Keggin' structure and neighboring anions are linked into a layered structure via weak C—H

O hydrogen bonding involving the DMP cations.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805023111/xu6013sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805023111/xu6013Isup2.hkl Contains datablock I

CCDC reference: 282701

checkCIF report

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.042 Å
Disorder in main residue
R factor = 0.100
wR factor = 0.226
Data-to-parameter ratio = 9.3

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.94
PLAT301_ALERT_3_B Main Residue  Disorder .........................      35.00 Perc.
PLAT342_ALERT_3_B Low Bond Precision on C-C bonds (x 1000) Ang ...         42

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           25.00
           From the CIF: _diffrn_reflns_theta_full          25.00
           From the CIF: _reflns_number_total               4474
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         4762
           Completeness (_total/calc)             93.95%
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.94
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       9.26
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.03
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.43 Ratio
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        C4B
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        N1B
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C3B
PLAT432_ALERT_2_C Short Inter X...Y Contact  O19    ..  C1B     ..       2.98 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact  O22    ..  C4A     ..       2.93 Ang.

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

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

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT-Plus (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) dodecamolybdosilicate top

Crystal data top

(C₇H₁₀N)₄[SiMo₁₂O₄₀]	Z = 1
M_r = 2252.01	F(000) = 1074.0
Triclinic, P1	D_x = 2.760 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 11.033 (5) Å	Cell parameters from 378 reflections
b = 11.951 (5) Å	θ = 1.8–25.0°
c = 12.034 (5) Å	µ = 2.81 mm⁻¹
α = 69.081 (5)°	T = 298 K
β = 77.369 (4)°	Block, yellow
γ = 66.626 (5)°	0.4 × 0.2 × 0.05 mm
V = 1355.1 (10) Å³

Data collection top

Bruker SMART CCD area-detector diffractometer	4474 independent reflections
Radiation source: fine-focus sealed tube	4355 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.026
φ and ω scans	θ_max = 25.0°, θ_min = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −12→13
T_min = 0.513, T_max = 0.872	k = −12→14
8908 measured reflections	l = 0→14

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)] = 0.100	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.226	H-atom parameters constrained
S = 1.15	w = 1/[σ²(F_o²) + 102.4837P] where P = (F_o² + 2F_c²)/3
4474 reflections	(Δ/σ)_max < 0.001
483 parameters	Δρ_max = 2.49 e Å⁻³
48 restraints	Δρ_min = −1.23 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	0.259 (3)	0.910 (2)	0.497 (2)	0.068 (9)
H1A	0.2869	0.8377	0.5616	0.082*
C2A	0.157 (3)	1.014 (3)	0.5118 (19)	0.060 (7)
H2A	0.1227	1.0148	0.5892	0.072*
C3A	0.101 (3)	1.121 (2)	0.417 (3)	0.059 (7)
N1A	0.317 (2)	0.912 (2)	0.3894 (19)	0.056 (6)
C4A	0.165 (3)	1.111 (3)	0.307 (2)	0.069 (9)
H4A	0.1334	1.1789	0.2391	0.082*
C5A	0.274 (3)	1.006 (3)	0.292 (2)	0.062 (7)
H5A	0.3147	1.0023	0.2163	0.074*
C6A	0.435 (3)	0.805 (4)	0.375 (3)	0.087 (10)
H6A	0.4564	0.7442	0.4522	0.131*
H6B	0.5075	0.8352	0.3386	0.131*
H6C	0.4194	0.7657	0.3258	0.131*
C7A	−0.017 (4)	1.232 (3)	0.435 (4)	0.109 (14)
H7A	−0.0453	1.2904	0.3583	0.163*
H7B	0.0050	1.2746	0.4771	0.163*
H7C	−0.0880	1.2026	0.4799	0.163*
C1B	0.139 (2)	0.290 (2)	0.812 (2)	0.054 (6)
H1B	0.1073	0.3181	0.8793	0.065*
C2B	0.147 (2)	0.375 (2)	0.707 (2)	0.055 (6)
H2B	0.1201	0.4606	0.7021	0.066*
C3B	0.194 (2)	0.340 (2)	0.6086 (19)	0.040 (5)
N1B	0.175 (2)	0.1602 (17)	0.8265 (19)	0.052 (5)
C4B	0.235 (4)	0.214 (4)	0.618 (4)	0.091 (11)
H4B	0.2671	0.1862	0.5507	0.110*
C5B	0.229 (3)	0.128 (2)	0.730 (3)	0.073 (9)
H5B	0.2662	0.0410	0.7369	0.087*
C6B	0.162 (3)	0.075 (3)	0.951 (3)	0.084 (10)
H6D	0.2397	−0.0006	0.9640	0.126*
H6E	0.0852	0.0525	0.9620	0.126*
H6F	0.1533	0.1196	1.0065	0.126*
C7B	0.205 (3)	0.432 (3)	0.485 (2)	0.068 (8)
H7D	0.1761	0.5171	0.4897	0.102*
H7E	0.1516	0.4286	0.4340	0.102*
H7F	0.2963	0.4079	0.4519	0.102*
O1	0.477 (2)	0.573 (2)	1.099 (2)	0.025 (5)	0.50
O2	0.566 (2)	0.412 (2)	1.122 (2)	0.029 (5)	0.50
O3	0.340 (2)	0.580 (2)	1.034 (2)	0.027 (5)	0.50
O4	0.428 (3)	0.389 (2)	1.061 (2)	0.027 (5)	0.50
O5	0.609 (2)	0.468 (2)	1.4102 (16)	0.072 (6)
O6	0.154 (2)	0.7748 (16)	1.2541 (16)	0.078 (7)
O7	0.5842 (18)	0.8699 (16)	1.057 (2)	0.074 (6)
O8	0.9345 (16)	0.1538 (18)	1.1729 (18)	0.070 (6)
O9	0.4827 (19)	0.1084 (15)	1.3630 (14)	0.057 (4)
O10	0.9451 (14)	0.5710 (16)	0.8389 (15)	0.054 (4)
O11	0.390 (4)	0.587 (4)	1.302 (3)	0.041 (6)	0.500 (15)
O12	0.604 (2)	0.610 (2)	1.146 (2)	0.022 (4)	0.500 (15)
O13	0.753 (3)	0.350 (3)	1.254 (3)	0.032 (7)	0.500 (15)
O14	0.496 (3)	0.349 (3)	1.292 (3)	0.036 (5)	0.500 (15)
O15	0.373 (4)	0.800 (3)	1.120 (3)	0.034 (6)	0.500 (15)
O16	0.749 (3)	0.686 (3)	0.966 (3)	0.048 (8)	0.500 (15)
O17	0.662 (3)	0.204 (2)	1.169 (2)	0.026 (4)	0.500 (15)
O18	0.889 (4)	0.380 (3)	1.023 (3)	0.039 (8)	0.500 (15)
O19	0.153 (3)	0.586 (3)	1.200 (3)	0.036 (7)	0.500 (15)
O20	0.487 (3)	0.800 (3)	0.900 (3)	0.038 (8)	0.500 (15)
O21	0.834 (4)	0.205 (3)	0.979 (3)	0.036 (8)	0.500 (15)
O22	0.292 (3)	0.301 (4)	1.249 (3)	0.035 (7)	0.500 (15)
O11A	0.382 (4)	0.572 (4)	1.265 (3)	0.041 (6)	0.500 (15)
O12A	0.605 (2)	0.630 (2)	1.203 (2)	0.022 (4)	0.500 (15)
O13A	0.716 (3)	0.380 (3)	1.205 (3)	0.027 (7)	0.500 (15)
O14A	0.517 (3)	0.324 (3)	1.346 (3)	0.036 (5)	0.500 (15)
O15A	0.383 (4)	0.776 (3)	1.087 (3)	0.034 (6)	0.500 (15)
O16A	0.715 (3)	0.629 (3)	0.993 (2)	0.036 (7)	0.500 (15)
O17A	0.690 (3)	0.170 (2)	1.227 (2)	0.026 (4)	0.500 (15)
O18A	0.821 (3)	0.428 (3)	1.023 (3)	0.037 (8)	0.500 (15)
O19A	0.224 (3)	0.543 (3)	1.186 (3)	0.038 (7)	0.500 (15)
O20A	0.523 (3)	0.852 (4)	0.868 (3)	0.037 (7)	0.500 (15)
O21A	0.773 (4)	0.254 (3)	0.984 (3)	0.044 (10)	0.500 (15)
O22A	0.322 (3)	0.360 (3)	1.220 (3)	0.043 (8)	0.500 (15)
Si1	0.5000	0.5000	1.0000	0.0328 (16)
Mo1	0.58120 (18)	0.47661 (17)	1.27556 (15)	0.0343 (4)
Mo2	0.26273 (19)	0.68032 (17)	1.17907 (16)	0.0374 (4)
Mo3	0.54671 (19)	0.76079 (17)	1.03413 (18)	0.0402 (5)
Mo4	0.79318 (18)	0.26123 (17)	1.11882 (17)	0.0394 (5)
Mo5	0.4804 (2)	0.23969 (17)	1.25159 (16)	0.0429 (5)
Mo6	0.80474 (19)	0.5463 (2)	0.89926 (17)	0.0484 (6)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1A	0.12 (3)	0.035 (13)	0.055 (17)	−0.022 (15)	−0.051 (17)	0.003 (11)
C2A	0.083 (19)	0.075 (18)	0.016 (10)	−0.033 (15)	0.015 (11)	−0.011 (11)
C3A	0.078 (18)	0.041 (13)	0.072 (18)	−0.030 (13)	−0.022 (14)	−0.014 (12)
N1A	0.067 (14)	0.061 (13)	0.049 (13)	−0.044 (12)	−0.019 (10)	0.006 (10)
C4A	0.11 (2)	0.059 (16)	0.047 (15)	−0.055 (18)	−0.036 (16)	0.015 (13)
C5A	0.09 (2)	0.076 (19)	0.038 (13)	−0.050 (17)	−0.007 (13)	−0.014 (13)
C6A	0.07 (2)	0.12 (3)	0.062 (19)	−0.03 (2)	−0.007 (15)	−0.017 (19)
C7A	0.12 (3)	0.07 (2)	0.14 (4)	−0.01 (2)	−0.05 (3)	−0.05 (2)
C1B	0.060 (15)	0.041 (12)	0.067 (16)	−0.027 (11)	0.013 (12)	−0.024 (12)
C2B	0.060 (15)	0.027 (11)	0.062 (16)	−0.010 (10)	0.000 (12)	−0.004 (11)
C3B	0.039 (11)	0.042 (12)	0.043 (12)	−0.020 (9)	0.004 (9)	−0.015 (10)
N1B	0.056 (12)	0.026 (9)	0.065 (13)	−0.013 (8)	−0.011 (10)	−0.003 (9)
C4B	0.10 (3)	0.10 (3)	0.11 (3)	−0.06 (2)	0.01 (2)	−0.05 (2)
C5B	0.10 (2)	0.034 (13)	0.08 (2)	−0.024 (14)	0.021 (18)	−0.038 (14)
C6B	0.051 (16)	0.056 (17)	0.11 (3)	−0.015 (13)	0.010 (16)	0.004 (17)
C7B	0.072 (19)	0.050 (15)	0.067 (18)	−0.012 (14)	0.000 (14)	−0.015 (13)
O1	0.034 (13)	0.016 (11)	0.028 (13)	−0.008 (10)	−0.008 (10)	−0.009 (10)
O2	0.035 (14)	0.031 (13)	0.027 (13)	−0.010 (11)	−0.014 (11)	−0.010 (11)
O3	0.031 (13)	0.029 (13)	0.034 (14)	−0.009 (11)	−0.002 (11)	−0.024 (11)
O4	0.047 (15)	0.024 (12)	0.017 (12)	−0.025 (12)	−0.002 (10)	−0.002 (10)
O5	0.076 (13)	0.116 (17)	0.050 (10)	−0.054 (12)	−0.017 (9)	−0.024 (11)
O6	0.089 (14)	0.045 (10)	0.046 (10)	0.012 (9)	0.022 (9)	−0.007 (8)
O7	0.058 (11)	0.045 (9)	0.121 (17)	−0.022 (8)	−0.052 (11)	0.002 (10)
O8	0.041 (9)	0.069 (12)	0.095 (14)	0.018 (8)	−0.037 (10)	−0.041 (11)
O9	0.085 (13)	0.044 (9)	0.042 (9)	−0.035 (9)	0.007 (8)	−0.007 (7)
O10	0.032 (8)	0.058 (10)	0.062 (11)	−0.012 (7)	−0.005 (7)	−0.009 (8)
O11	0.047 (8)	0.036 (8)	0.039 (11)	−0.014 (7)	−0.009 (8)	−0.010 (7)
O12	0.019 (6)	0.013 (6)	0.032 (9)	−0.004 (5)	0.004 (7)	−0.008 (6)
O13	0.028 (17)	0.036 (18)	0.032 (19)	0.001 (14)	−0.010 (13)	−0.021 (15)
O14	0.037 (8)	0.038 (8)	0.037 (10)	−0.011 (6)	−0.008 (8)	−0.017 (8)
O15	0.035 (7)	0.032 (9)	0.035 (11)	−0.009 (7)	−0.008 (8)	−0.008 (7)
O16	0.036 (16)	0.024 (15)	0.07 (2)	0.004 (13)	−0.037 (15)	−0.001 (15)
O17	0.032 (8)	0.017 (7)	0.029 (9)	−0.004 (6)	−0.011 (7)	−0.008 (7)
O18	0.06 (2)	0.04 (2)	0.034 (17)	−0.025 (18)	−0.008 (18)	−0.014 (16)
O19	0.035 (11)	0.037 (11)	0.029 (10)	−0.007 (8)	−0.008 (8)	−0.005 (8)
O20	0.032 (18)	0.040 (18)	0.05 (2)	−0.018 (14)	−0.006 (15)	−0.016 (15)
O21	0.04 (2)	0.03 (2)	0.050 (19)	−0.017 (15)	−0.015 (18)	−0.007 (17)
O22	0.024 (15)	0.06 (2)	0.015 (14)	−0.002 (15)	−0.006 (11)	−0.014 (15)
O11A	0.047 (8)	0.036 (8)	0.039 (11)	−0.014 (7)	−0.009 (8)	−0.010 (7)
O12A	0.019 (6)	0.013 (6)	0.032 (9)	−0.004 (5)	0.004 (7)	−0.008 (6)
O13A	0.028 (17)	0.022 (15)	0.034 (19)	−0.013 (13)	−0.013 (13)	−0.001 (13)
O14A	0.037 (8)	0.038 (8)	0.037 (10)	−0.011 (6)	−0.008 (8)	−0.017 (8)
O15A	0.035 (7)	0.032 (9)	0.035 (11)	−0.009 (7)	−0.008 (8)	−0.008 (7)
O16A	0.053 (19)	0.048 (18)	0.022 (14)	−0.040 (16)	0.012 (12)	−0.010 (13)
O17A	0.032 (8)	0.017 (7)	0.029 (9)	−0.004 (6)	−0.011 (7)	−0.008 (7)
O18A	0.036 (18)	0.027 (17)	0.029 (15)	−0.001 (13)	−0.016 (15)	0.008 (13)
O19A	0.045 (19)	0.031 (16)	0.047 (18)	−0.006 (15)	−0.023 (15)	−0.019 (14)
O20A	0.011 (13)	0.06 (2)	0.032 (17)	−0.003 (14)	0.001 (11)	−0.018 (16)
O21A	0.05 (2)	0.014 (17)	0.044 (19)	0.001 (15)	−0.011 (19)	0.009 (14)
O22A	0.039 (19)	0.034 (18)	0.035 (19)	−0.002 (15)	−0.004 (14)	0.001 (14)
Si1	0.033 (4)	0.034 (4)	0.034 (4)	−0.015 (3)	−0.004 (3)	−0.009 (3)
Mo1	0.0403 (10)	0.0373 (9)	0.0267 (8)	−0.0146 (8)	−0.0080 (7)	−0.0070 (7)
Mo2	0.0449 (10)	0.0325 (9)	0.0329 (9)	−0.0126 (8)	0.0037 (8)	−0.0127 (7)
Mo3	0.0392 (10)	0.0338 (9)	0.0521 (11)	−0.0056 (8)	−0.0151 (8)	−0.0197 (8)
Mo4	0.0329 (9)	0.0286 (9)	0.0484 (11)	−0.0059 (7)	−0.0197 (8)	0.0019 (8)
Mo5	0.0462 (11)	0.0318 (9)	0.0293 (9)	−0.0035 (8)	−0.0021 (8)	0.0030 (7)
Mo6	0.0366 (10)	0.0837 (15)	0.0313 (10)	−0.0332 (10)	0.0010 (8)	−0.0133 (10)

Geometric parameters (Å, º) top

C1A—N1A	1.31 (4)	O12—Mo1	1.84 (2)
C1A—C2A	1.34 (4)	O13—Mo1	1.93 (3)
C1A—H1A	0.9300	O13—Mo4	2.12 (3)
C2A—C3A	1.40 (4)	O14—Mo5	1.62 (3)
C2A—H2A	0.9300	O14—Mo1	2.02 (3)
C3A—C4A	1.38 (4)	O15—Mo3	1.93 (4)
C3A—C7A	1.49 (4)	O15—Mo2	2.08 (4)
N1A—C5A	1.32 (3)	O16—Mo6	1.93 (3)
N1A—C6A	1.44 (4)	O16—Mo3	2.14 (3)
C4A—C5A	1.39 (4)	O17—Mo4	1.74 (3)
C4A—H4A	0.9300	O17—Mo5	1.98 (3)
C5A—H5A	0.9300	O18—Mo4	1.99 (3)
C6A—H6A	0.9600	O18—Mo6	2.02 (4)
C6A—H6B	0.9600	O19—Mo2	1.88 (3)
C6A—H6C	0.9600	O19—Mo6ⁱ	2.16 (3)
C7A—H7A	0.9600	O20—Mo3	1.71 (3)
C7A—H7B	0.9600	O20—Mo5ⁱ	1.97 (3)
C7A—H7C	0.9600	O21—Mo4	1.93 (4)
C1B—C2B	1.32 (3)	O21—Mo2ⁱ	2.12 (4)
C1B—N1B	1.39 (3)	O22—Mo5	1.92 (3)
C1B—H1B	0.9300	O22—Mo6ⁱ	2.15 (3)
C2B—C3B	1.33 (3)	O11A—Mo2	1.67 (4)
C2B—H2B	0.9300	O11A—Mo1	2.04 (4)
C3B—C4B	1.36 (4)	O12A—Mo1	1.82 (2)
C3B—C7B	1.52 (3)	O12A—Mo3	2.12 (3)
N1B—C5B	1.30 (3)	O13A—Mo1	1.75 (3)
N1B—C6B	1.49 (3)	O13A—Mo4	1.88 (3)
C4B—C5B	1.38 (5)	O14A—Mo5	1.95 (3)
C4B—H4B	0.9300	O14A—Mo1	2.05 (3)
C5B—H5B	0.9300	O15A—Mo3	1.74 (4)
C6B—H6D	0.9600	O15A—Mo2	1.98 (4)
C6B—H6E	0.9600	O16A—Mo6	1.66 (3)
C6B—H6F	0.9600	O16A—Mo3	2.00 (3)
C7B—H7D	0.9600	O17A—Mo4	1.87 (3)
C7B—H7E	0.9600	O17A—Mo5	2.11 (3)
C7B—H7F	0.9600	O18A—Mo6	1.63 (3)
O1—Si1	1.64 (2)	O18A—Mo4	2.02 (3)
O1—O3	1.81 (3)	O19A—Mo2	1.82 (3)
O1—Mo1	2.33 (2)	O19A—Mo6ⁱ	1.87 (3)
O1—Mo2	2.37 (2)	O20A—Mo3	1.92 (3)
O1—Mo3	2.47 (2)	O20A—Mo5ⁱ	2.11 (3)
O2—Si1	1.60 (2)	O21A—Mo4	1.71 (4)
O2—Mo1	2.30 (2)	O21A—Mo2ⁱ	1.91 (4)
O2—Mo4	2.44 (2)	O22A—Mo5	1.78 (3)
O2—Mo5	2.48 (3)	O22A—Mo6ⁱ	1.94 (3)
O3—Si1	1.68 (2)	Si1—O2ⁱ	1.60 (2)
O3—Mo2	2.30 (2)	Si1—O1ⁱ	1.64 (2)
O3—Mo4ⁱ	2.37 (2)	Si1—O4ⁱ	1.68 (2)
O3—Mo6ⁱ	2.44 (2)	Si1—O3ⁱ	1.68 (2)
O4—Si1	1.68 (2)	Mo2—O21Aⁱ	1.91 (4)
O4—Mo3ⁱ	2.35 (2)	Mo2—O21ⁱ	2.12 (4)
O4—Mo6ⁱ	2.36 (3)	Mo3—O4ⁱ	2.35 (2)
O4—Mo5	2.37 (2)	Mo4—O3ⁱ	2.37 (2)
O5—Mo1	1.673 (17)	Mo5—O20ⁱ	1.97 (3)
O6—Mo2	1.647 (16)	Mo5—O20Aⁱ	2.11 (3)
O7—Mo3	1.639 (17)	Mo6—O19Aⁱ	1.87 (3)
O8—Mo4	1.662 (15)	Mo6—O22Aⁱ	1.94 (3)
O9—Mo5	1.656 (15)	Mo6—O22ⁱ	2.15 (3)
O10—Mo6	1.652 (15)	Mo6—O19ⁱ	2.16 (3)
O11—Mo2	1.97 (4)	Mo6—O4ⁱ	2.36 (3)
O11—Mo1	2.02 (4)	Mo6—O3ⁱ	2.44 (2)
O12—Mo3	1.79 (2)

N1A—C1A—C2A	119 (2)	O19A—Mo2—O3	57.2 (12)
N1A—C1A—H1A	120.5	O19—Mo2—O3	74.1 (12)
C2A—C1A—H1A	120.5	O21Aⁱ—Mo2—O3	51.0 (12)
C1A—C2A—C3A	123 (2)	O11—Mo2—O3	106.5 (12)
C1A—C2A—H2A	118.3	O15A—Mo2—O3	83.5 (11)
C3A—C2A—H2A	118.3	O15—Mo2—O3	98.8 (11)
C4A—C3A—C2A	113 (3)	O21ⁱ—Mo2—O3	68.8 (12)
C4A—C3A—C7A	124 (3)	O6—Mo2—O1	155.9 (11)
C2A—C3A—C7A	123 (3)	O11A—Mo2—O1	57.5 (14)
C1A—N1A—C5A	124 (3)	O19A—Mo2—O1	85.5 (12)
C1A—N1A—C6A	119 (2)	O19—Mo2—O1	108.9 (12)
C5A—N1A—C6A	118 (3)	O21Aⁱ—Mo2—O1	82.6 (13)
C3A—C4A—C5A	123 (2)	O11—Mo2—O1	68.0 (13)
C3A—C4A—H4A	118.4	O15A—Mo2—O1	59.3 (11)
C5A—C4A—H4A	118.4	O15—Mo2—O1	70.3 (11)
N1A—C5A—C4A	117 (3)	O21ⁱ—Mo2—O1	101.2 (12)
N1A—C5A—H5A	121.4	O3—Mo2—O1	45.7 (8)
C4A—C5A—H5A	121.4	O7—Mo3—O20	116.8 (13)
N1A—C6A—H6A	109.5	O7—Mo3—O15A	110.4 (13)
N1A—C6A—H6B	109.5	O20—Mo3—O15A	81.7 (16)
H6A—C6A—H6B	109.5	O7—Mo3—O12	111.6 (11)
N1A—C6A—H6C	109.5	O20—Mo3—O12	130.5 (14)
H6A—C6A—H6C	109.5	O15A—Mo3—O12	90.8 (14)
H6B—C6A—H6C	109.5	O7—Mo3—O20A	94.1 (14)
C3A—C7A—H7A	109.5	O20—Mo3—O20A	24.7 (11)
C3A—C7A—H7B	109.5	O15A—Mo3—O20A	98.9 (14)
H7A—C7A—H7B	109.5	O12—Mo3—O20A	147.4 (14)
C3A—C7A—H7C	109.5	O7—Mo3—O15	95.4 (13)
H7A—C7A—H7C	109.5	O20—Mo3—O15	94.2 (15)
H7B—C7A—H7C	109.5	O15A—Mo3—O15	16.3 (14)
C2B—C1B—N1B	123 (2)	O12—Mo3—O15	90.6 (13)
C2B—C1B—H1B	118.7	O20A—Mo3—O15	107.1 (13)
N1B—C1B—H1B	118.7	O7—Mo3—O16A	108.4 (11)
C1B—C2B—C3B	121 (2)	O20—Mo3—O16A	93.0 (14)
C1B—C2B—H2B	119.4	O15A—Mo3—O16A	138.8 (15)
C3B—C2B—H2B	119.4	O12—Mo3—O16A	62.0 (11)
C2B—C3B—C4B	119 (3)	O20A—Mo3—O16A	91.7 (12)
C2B—C3B—C7B	124 (2)	O15—Mo3—O16A	148.6 (14)
C4B—C3B—C7B	117 (2)	O7—Mo3—O12A	92.1 (9)
C5B—N1B—C1B	115 (2)	O20—Mo3—O12A	151.1 (13)
C5B—N1B—C6B	128 (2)	O15A—Mo3—O12A	89.0 (13)
C1B—N1B—C6B	117 (2)	O12—Mo3—O12A	21.7 (9)
C3B—C4B—C5B	118 (3)	O20A—Mo3—O12A	167.6 (11)
C3B—C4B—H4B	120.8	O15—Mo3—O12A	83.0 (12)
C5B—C4B—H4B	120.8	O16A—Mo3—O12A	76.2 (10)
N1B—C5B—C4B	124 (2)	O7—Mo3—O16	87.9 (12)
N1B—C5B—H5B	118.0	O20—Mo3—O16	93.2 (14)
C4B—C5B—H5B	118.0	O15A—Mo3—O16	161.4 (15)
N1B—C6B—H6D	109.5	O12—Mo3—O16	78.9 (12)
N1B—C6B—H6E	109.5	O20A—Mo3—O16	82.5 (12)
H6D—C6B—H6E	109.5	O15—Mo3—O16	169.5 (14)
N1B—C6B—H6F	109.5	O16A—Mo3—O16	23.1 (9)
H6D—C6B—H6F	109.5	O12A—Mo3—O16	87.0 (11)
H6E—C6B—H6F	109.5	O7—Mo3—O4ⁱ	154.8 (10)
C3B—C7B—H7D	109.5	O20—Mo3—O4ⁱ	56.1 (12)
C3B—C7B—H7E	109.5	O15A—Mo3—O4ⁱ	93.1 (12)
H7D—C7B—H7E	109.5	O12—Mo3—O4ⁱ	75.8 (10)
C3B—C7B—H7F	109.5	O20A—Mo3—O4ⁱ	72.7 (13)
H7D—C7B—H7F	109.5	O15—Mo3—O4ⁱ	108.8 (12)
H7E—C7B—H7F	109.5	O16A—Mo3—O4ⁱ	52.3 (11)
Si1—O1—O3	57.9 (10)	O12A—Mo3—O4ⁱ	97.5 (9)
Si1—O1—Mo1	123.4 (11)	O16—Mo3—O4ⁱ	69.5 (11)
O3—O1—Mo1	141.1 (15)	O7—Mo3—O1	153.7 (10)
Si1—O1—Mo2	122.5 (12)	O20—Mo3—O1	86.9 (13)
O3—O1—Mo2	64.8 (10)	O15A—Mo3—O1	59.6 (13)
Mo1—O1—Mo2	98.0 (9)	O12—Mo3—O1	48.9 (10)
Si1—O1—Mo3	116.9 (12)	O20A—Mo3—O1	111.0 (13)
O3—O1—Mo3	119.7 (13)	O15—Mo3—O1	70.5 (12)
Mo1—O1—Mo3	95.1 (8)	O16A—Mo3—O1	79.4 (10)
Mo2—O1—Mo3	94.2 (7)	O12A—Mo3—O1	64.9 (9)
Si1—O2—Mo1	127.4 (13)	O16—Mo3—O1	102.4 (11)
Si1—O2—Mo4	120.4 (13)	O4ⁱ—Mo3—O1	48.2 (8)
Mo1—O2—Mo4	95.9 (8)	O8—Mo4—O21A	112.4 (14)
Si1—O2—Mo5	117.8 (12)	O8—Mo4—O17	112.5 (12)
Mo1—O2—Mo5	95.5 (9)	O21A—Mo4—O17	83.0 (16)
Mo4—O2—Mo5	91.9 (8)	O8—Mo4—O17A	93.6 (11)
Si1—O3—O1	55.8 (10)	O21A—Mo4—O17A	102.4 (15)
Si1—O3—Mo2	125.1 (12)	O17—Mo4—O17A	22.9 (9)
O1—O3—Mo2	69.5 (10)	O8—Mo4—O13A	110.2 (12)
Si1—O3—Mo4ⁱ	120.3 (13)	O21A—Mo4—O13A	135.8 (15)
O1—O3—Mo4ⁱ	132.5 (14)	O17—Mo4—O13A	91.5 (12)
Mo2—O3—Mo4ⁱ	98.9 (9)	O17A—Mo4—O13A	86.0 (12)
Si1—O3—Mo6ⁱ	115.5 (11)	O8—Mo4—O21	91.3 (12)
O1—O3—Mo6ⁱ	132.1 (15)	O21A—Mo4—O21	21.1 (11)
Mo2—O3—Mo6ⁱ	96.6 (9)	O17—Mo4—O21	91.6 (13)
Mo4ⁱ—O3—Mo6ⁱ	94.0 (8)	O17A—Mo4—O21	105.6 (13)
Si1—O4—Mo3ⁱ	121.4 (12)	O13A—Mo4—O21	155.1 (15)
Si1—O4—Mo6ⁱ	119.7 (12)	O8—Mo4—O18	89.4 (14)
Mo3ⁱ—O4—Mo6ⁱ	97.2 (9)	O21A—Mo4—O18	85.8 (16)
Si1—O4—Mo5	119.9 (12)	O17—Mo4—O18	157.9 (14)
Mo3ⁱ—O4—Mo5	96.3 (8)	O17A—Mo4—O18	169.3 (12)
Mo6ⁱ—O4—Mo5	96.8 (8)	O13A—Mo4—O18	83.3 (13)
Mo2—O11—Mo1	125.7 (18)	O21—Mo4—O18	84.6 (13)
Mo3—O12—Mo1	153.8 (14)	O8—Mo4—O18A	109.3 (12)
Mo1—O13—Mo4	120.8 (16)	O21A—Mo4—O18A	85.4 (15)
Mo5—O14—Mo1	152.7 (19)	O17—Mo4—O18A	137.9 (12)
Mo3—O15—Mo2	124.5 (17)	O17A—Mo4—O18A	151.0 (13)
Mo6—O16—Mo3	120.1 (18)	O13A—Mo4—O18A	69.8 (14)
Mo4—O17—Mo5	143.5 (14)	O21—Mo4—O18A	91.8 (14)
Mo4—O18—Mo6	123.0 (19)	O18—Mo4—O18A	21.3 (10)
Mo2—O19—Mo6ⁱ	121.9 (16)	O8—Mo4—O13	92.1 (11)
Mo3—O20—Mo5ⁱ	145.4 (19)	O21A—Mo4—O13	154.4 (15)
Mo4—O21—Mo2ⁱ	122.1 (18)	O17—Mo4—O13	95.0 (13)
Mo5—O22—Mo6ⁱ	121.1 (17)	O17A—Mo4—O13	82.7 (12)
Mo2—O11A—Mo1	146 (2)	O13A—Mo4—O13	18.6 (9)
Mo1—O12A—Mo3	127.7 (14)	O21—Mo4—O13	170.8 (14)
Mo1—O13A—Mo4	153.0 (18)	O18—Mo4—O13	86.9 (13)
Mo5—O14A—Mo1	124.8 (16)	O18A—Mo4—O13	79.1 (14)
Mo3—O15A—Mo2	145 (2)	O8—Mo4—O3ⁱ	154.5 (10)
Mo6—O16A—Mo3	148.6 (18)	O21A—Mo4—O3ⁱ	50.6 (12)
Mo4—O17A—Mo5	125.1 (13)	O17—Mo4—O3ⁱ	86.2 (11)
Mo6—O18A—Mo4	149 (2)	O17A—Mo4—O3ⁱ	107.9 (10)
Mo2—O19A—Mo6ⁱ	146.5 (19)	O13A—Mo4—O3ⁱ	85.3 (11)
Mo3—O20A—Mo5ⁱ	122 (2)	O21—Mo4—O3ⁱ	70.2 (12)
Mo4—O21A—Mo2ⁱ	156 (2)	O18—Mo4—O3ⁱ	72.0 (12)
Mo5—O22A—Mo6ⁱ	144 (2)	O18A—Mo4—O3ⁱ	56.0 (11)
O2—Si1—O2ⁱ	180.000 (5)	O13—Mo4—O3ⁱ	103.8 (11)
O2—Si1—O1	64.6 (12)	O8—Mo4—O2	157.6 (9)
O2ⁱ—Si1—O1	115.4 (12)	O21A—Mo4—O2	88.6 (14)
O2—Si1—O1ⁱ	115.4 (12)	O17—Mo4—O2	60.4 (10)
O2ⁱ—Si1—O1ⁱ	64.6 (12)	O17A—Mo4—O2	73.3 (10)
O1—Si1—O1ⁱ	180.000 (4)	O13A—Mo4—O2	51.9 (11)
O2—Si1—O4ⁱ	105.8 (12)	O21—Mo4—O2	109.6 (12)
O2ⁱ—Si1—O4ⁱ	74.2 (12)	O18—Mo4—O2	100.4 (13)
O1—Si1—O4ⁱ	72.8 (12)	O18A—Mo4—O2	79.1 (11)
O1ⁱ—Si1—O4ⁱ	107.2 (12)	O13—Mo4—O2	68.6 (10)
O2—Si1—O4	74.2 (12)	O3ⁱ—Mo4—O2	47.1 (8)
O2ⁱ—Si1—O4	105.8 (12)	O14—Mo5—O9	113.8 (13)
O1—Si1—O4	107.2 (12)	O14—Mo5—O22A	80.8 (17)
O1ⁱ—Si1—O4	72.8 (12)	O9—Mo5—O22A	116.6 (14)
O4ⁱ—Si1—O4	180.000 (4)	O14—Mo5—O22	100.3 (15)
O2—Si1—O3ⁱ	71.8 (13)	O9—Mo5—O22	93.3 (13)
O2ⁱ—Si1—O3ⁱ	108.2 (13)	O22A—Mo5—O22	25.7 (12)
O1—Si1—O3ⁱ	113.7 (11)	O14—Mo5—O14A	18.7 (13)
O1ⁱ—Si1—O3ⁱ	66.3 (11)	O9—Mo5—O14A	95.7 (11)
O4ⁱ—Si1—O3ⁱ	74.1 (12)	O22A—Mo5—O14A	92.8 (15)
O4—Si1—O3ⁱ	105.9 (12)	O22—Mo5—O14A	106.9 (13)
O2—Si1—O3	108.2 (13)	O14—Mo5—O20ⁱ	134.5 (16)
O2ⁱ—Si1—O3	71.8 (13)	O9—Mo5—O20ⁱ	108.5 (12)
O1—Si1—O3	66.3 (11)	O22A—Mo5—O20ⁱ	94.8 (15)
O1ⁱ—Si1—O3	113.7 (11)	O22—Mo5—O20ⁱ	92.8 (13)
O4ⁱ—Si1—O3	105.9 (12)	O14A—Mo5—O20ⁱ	147.8 (14)
O4—Si1—O3	74.1 (12)	O14—Mo5—O17	90.7 (13)
O3ⁱ—Si1—O3	180.000 (4)	O9—Mo5—O17	106.5 (10)
O5—Mo1—O13A	113.6 (13)	O22A—Mo5—O17	135.9 (14)
O5—Mo1—O12A	93.7 (11)	O22—Mo5—O17	151.2 (11)
O13A—Mo1—O12A	99.7 (12)	O14A—Mo5—O17	92.0 (12)
O5—Mo1—O12	118.4 (11)	O20ⁱ—Mo5—O17	61.4 (13)
O13A—Mo1—O12	84.7 (12)	O14—Mo5—O20Aⁱ	156.5 (16)
O12A—Mo1—O12	25.3 (9)	O9—Mo5—O20Aⁱ	89.1 (12)
O5—Mo1—O13	93.0 (12)	O22A—Mo5—O20Aⁱ	94.1 (15)
O13A—Mo1—O13	20.8 (10)	O22—Mo5—O20Aⁱ	82.8 (12)
O12A—Mo1—O13	104.9 (13)	O14A—Mo5—O20Aⁱ	168.8 (13)
O12—Mo1—O13	97.2 (13)	O20ⁱ—Mo5—O20Aⁱ	22.4 (10)
O5—Mo1—O11	90.0 (12)	O17—Mo5—O20Aⁱ	76.9 (11)
O13A—Mo1—O11	155.6 (15)	O14—Mo5—O17A	85.8 (13)
O12A—Mo1—O11	83.8 (13)	O9—Mo5—O17A	90.6 (10)
O12—Mo1—O11	89.1 (13)	O22A—Mo5—O17A	152.6 (14)
O13—Mo1—O11	170.6 (15)	O22—Mo5—O17A	170.7 (11)
O5—Mo1—O14	110.3 (11)	O14A—Mo5—O17A	81.1 (11)
O13A—Mo1—O14	84.3 (13)	O20ⁱ—Mo5—O17A	77.9 (12)
O12A—Mo1—O14	151.9 (13)	O17—Mo5—O17A	20.2 (8)
O12—Mo1—O14	130.4 (13)	O20Aⁱ—Mo5—O17A	88.8 (10)
O13—Mo1—O14	88.8 (13)	O14—Mo5—O4	89.4 (13)
O11—Mo1—O14	81.8 (13)	O9—Mo5—O4	154.9 (8)
O5—Mo1—O11A	105.1 (12)	O22A—Mo5—O4	55.6 (13)
O13A—Mo1—O11A	139.7 (15)	O22—Mo5—O4	72.4 (12)
O12A—Mo1—O11A	88.4 (13)	O14A—Mo5—O4	108.0 (11)
O12—Mo1—O11A	86.8 (13)	O20ⁱ—Mo5—O4	53.6 (11)
O13—Mo1—O11A	157.0 (14)	O17—Mo5—O4	81.3 (10)
O11—Mo1—O11A	16.0 (12)	O20Aⁱ—Mo5—O4	69.2 (11)
O14—Mo1—O11A	71.8 (13)	O17A—Mo5—O4	100.8 (10)
O5—Mo1—O14A	92.3 (11)	O14—Mo5—O2	53.5 (13)
O13A—Mo1—O14A	86.9 (13)	O9—Mo5—O2	155.3 (9)
O12A—Mo1—O14A	168.5 (12)	O22A—Mo5—O2	84.1 (14)
O12—Mo1—O14A	149.0 (13)	O22—Mo5—O2	109.2 (13)
O13—Mo1—O14A	84.7 (13)	O14A—Mo5—O2	68.6 (11)
O11—Mo1—O14A	86.4 (14)	O20ⁱ—Mo5—O2	81.1 (12)
O14—Mo1—O14A	18.6 (9)	O17—Mo5—O2	57.3 (9)
O11A—Mo1—O14A	80.5 (13)	O20Aⁱ—Mo5—O2	103.3 (12)
O5—Mo1—O2	159.7 (10)	O17A—Mo5—O2	68.8 (9)
O13A—Mo1—O2	55.8 (12)	O4—Mo5—O2	47.9 (8)
O12A—Mo1—O2	104.9 (11)	O18A—Mo6—O10	113.3 (13)
O12—Mo1—O2	79.6 (10)	O18A—Mo6—O16A	81.2 (17)
O13—Mo1—O2	74.6 (11)	O10—Mo6—O16A	115.2 (12)
O11—Mo1—O2	99.9 (11)	O18A—Mo6—O19Aⁱ	93.3 (16)
O14—Mo1—O2	54.7 (11)	O10—Mo6—O19Aⁱ	106.5 (13)
O11A—Mo1—O2	84.0 (11)	O16A—Mo6—O19Aⁱ	136.7 (15)
O14A—Mo1—O2	71.0 (11)	O18A—Mo6—O16	99.2 (17)
O5—Mo1—O1	154.8 (10)	O10—Mo6—O16	91.2 (13)
O13A—Mo1—O1	89.7 (12)	O16A—Mo6—O16	25.7 (12)
O12A—Mo1—O1	72.1 (10)	O19Aⁱ—Mo6—O16	152.2 (13)
O12—Mo1—O1	51.5 (10)	O18A—Mo6—O22Aⁱ	136.7 (17)
O13—Mo1—O1	110.5 (11)	O10—Mo6—O22Aⁱ	107.7 (12)
O11—Mo1—O1	68.3 (11)	O16A—Mo6—O22Aⁱ	93.9 (15)
O14—Mo1—O1	80.2 (11)	O19Aⁱ—Mo6—O22Aⁱ	61.4 (15)
O11A—Mo1—O1	55.2 (12)	O16—Mo6—O22Aⁱ	93.2 (13)
O14A—Mo1—O1	98.7 (10)	O18A—Mo6—O18	20.1 (14)
O2—Mo1—O1	43.8 (8)	O10—Mo6—O18	95.4 (12)
O6—Mo2—O11A	109.6 (14)	O16A—Mo6—O18	97.1 (14)
O6—Mo2—O19A	115.0 (14)	O19Aⁱ—Mo6—O18	90.1 (13)
O11A—Mo2—O19A	84.3 (16)	O16—Mo6—O18	109.8 (13)
O6—Mo2—O19	92.9 (14)	O22Aⁱ—Mo6—O18	147.1 (15)
O11A—Mo2—O19	100.7 (16)	O18A—Mo6—O22ⁱ	158.1 (16)
O19A—Mo2—O19	23.9 (10)	O10—Mo6—O22ⁱ	88.5 (11)
O6—Mo2—O21Aⁱ	109.8 (13)	O16A—Mo6—O22ⁱ	91.2 (13)
O11A—Mo2—O21Aⁱ	139.6 (18)	O19Aⁱ—Mo6—O22ⁱ	78.2 (13)
O19A—Mo2—O21Aⁱ	86.8 (14)	O16—Mo6—O22ⁱ	81.1 (13)
O19—Mo2—O21Aⁱ	85.6 (15)	O22Aⁱ—Mo6—O22ⁱ	22.9 (11)
O6—Mo2—O11	96.0 (13)	O18—Mo6—O22ⁱ	168.3 (13)
O11A—Mo2—O11	15.1 (16)	O18A—Mo6—O19ⁱ	89.3 (15)
O19A—Mo2—O11	96.0 (14)	O10—Mo6—O19ⁱ	89.8 (11)
O19—Mo2—O11	108.6 (15)	O16A—Mo6—O19ⁱ	155.0 (14)
O21Aⁱ—Mo2—O11	150.1 (17)	O19Aⁱ—Mo6—O19ⁱ	20.4 (10)
O6—Mo2—O15A	104.0 (12)	O16—Mo6—O19ⁱ	170.2 (11)
O11A—Mo2—O15A	91.0 (17)	O22Aⁱ—Mo6—O19ⁱ	77.2 (14)
O19A—Mo2—O15A	140.0 (15)	O18—Mo6—O19ⁱ	79.8 (12)
O19—Mo2—O15A	155.0 (13)	O22ⁱ—Mo6—O19ⁱ	89.2 (12)
O21Aⁱ—Mo2—O15A	71.5 (16)	O18A—Mo6—O4ⁱ	89.9 (13)
O11—Mo2—O15A	88.1 (15)	O10—Mo6—O4ⁱ	153.9 (8)
O6—Mo2—O15	90.4 (13)	O16A—Mo6—O4ⁱ	54.5 (12)
O11A—Mo2—O15	88.8 (17)	O19Aⁱ—Mo6—O4ⁱ	82.7 (12)
O19A—Mo2—O15	154.6 (15)	O16—Mo6—O4ⁱ	72.7 (12)
O19—Mo2—O15	168.2 (13)	O22Aⁱ—Mo6—O4ⁱ	54.7 (12)
O21Aⁱ—Mo2—O15	82.6 (15)	O18—Mo6—O4ⁱ	109.2 (12)
O11—Mo2—O15	82.3 (15)	O22ⁱ—Mo6—O4ⁱ	69.2 (10)
O15A—Mo2—O15	15.4 (12)	O19ⁱ—Mo6—O4ⁱ	102.7 (10)
O6—Mo2—O21ⁱ	90.9 (13)	O18A—Mo6—O3ⁱ	57.6 (14)
O11A—Mo2—O21ⁱ	158.6 (17)	O10—Mo6—O3ⁱ	153.7 (8)
O19A—Mo2—O21ⁱ	92.6 (12)	O16A—Mo6—O3ⁱ	88.9 (11)
O19—Mo2—O21ⁱ	83.7 (12)	O19Aⁱ—Mo6—O3ⁱ	53.8 (12)
O21Aⁱ—Mo2—O21ⁱ	19.1 (12)	O16—Mo6—O3ⁱ	114.0 (13)
O11—Mo2—O21ⁱ	165.5 (15)	O22Aⁱ—Mo6—O3ⁱ	79.4 (13)
O15A—Mo2—O21ⁱ	77.9 (13)	O18—Mo6—O3ⁱ	69.9 (11)
O15—Mo2—O21ⁱ	85.0 (13)	O22ⁱ—Mo6—O3ⁱ	102.1 (12)
O6—Mo2—O3	156.7 (10)	O19ⁱ—Mo6—O3ⁱ	66.7 (10)
O11A—Mo2—O3	92.1 (14)	O4ⁱ—Mo6—O3ⁱ	49.8 (8)

Symmetry code: (i) −x+1, −y+1, −z+2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C1A—H1A···O14Aⁱ	0.93	2.42	3.21 (4)	143
C1A—H1A···O17Aⁱ	0.93	2.58	3.23 (4)	127
C2B—H2B···O10ⁱⁱ	0.93	2.51	3.15 (3)	126
C5B—H5B···O17ⁱⁱⁱ	0.93	2.58	3.47 (4)	160
C5B—H5B···O17Aⁱⁱⁱ	0.93	2.26	3.17 (3)	167
C6A—H6A···O14Aⁱ	0.96	2.32	3.22 (4)	156
C6A—H6C···O11^iv	0.96	2.41	3.27 (5)	150
C6A—H6C···O15^iv	0.96	2.49	3.31 (5)	144
C6B—H6D···O15A^v	0.96	2.58	3.47 (4)	155
C7B—H7F···O14A^iv	0.96	2.49	3.43 (4)	168

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

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