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In the title compound, tetra­ammonium octamolybdate bis(2-methyl­benz­imidazole), (NH4)4[Mo8O26]·2C8H8N2, the crystal packing is stabilized by N—H...O, N—H...N and C—H...O intra- and intermolecular hydrogen bonds, as well as π–π stacking. The anion lies on an inversion center.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805006677/hb6161sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805006677/hb6161Isup2.hkl
Contains datablock I

CCDC reference: 270329

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.010 Å
  • R factor = 0.032
  • wR factor = 0.089
  • Data-to-parameter ratio = 12.3

checkCIF/PLATON results

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Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H34 .. H43 .. 1.85 Ang.
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 10 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.23 Ratio
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 3 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2000); program(s) used to refine structure: SHELXL97 (Sheldrick, 2000); molecular graphics: SHELXTL/PC (Sheldrick, 1999); software used to prepare material for publication: SHELXTL/PC.

tetraammonium octamolybdate bis(2-methylbenzimidazole), top
Crystal data top
(NH4)4[Mo8O26]·2C8H8N2Z = 1
Mr = 1520.02F(000) = 728
Triclinic, P1Dx = 2.682 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 8.7122 (19) ÅCell parameters from 2898 reflections
b = 10.400 (2) Åθ = 2.5–27.0°
c = 12.007 (3) ŵ = 2.68 mm1
α = 93.292 (3)°T = 293 K
β = 107.373 (2)°Block, yellow
γ = 112.457 (2)°0.30 × 0.20 × 0.20 mm
V = 941.2 (4) Å3
Data collection top
Bruker SMART 1K CCD area-detector
diffractometer
3247 independent reflections
Radiation source: fine-focus sealed tube2812 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.016
ω scansθmax = 25.0°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2000)
h = 109
Tmin = 0.475, Tmax = 0.585k = 1210
4606 measured reflectionsl = 1414
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.032Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.089H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.0523P)2 + 1.1475P]
where P = (Fo2 + 2Fc2)/3
3247 reflections(Δ/σ)max = 0.005
263 parametersΔρmax = 0.55 e Å3
0 restraintsΔρmin = 1.15 e Å3
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
xyzUiso*/Ueq
Mo10.41857 (5)0.20371 (4)0.95774 (4)0.02126 (13)
Mo20.59355 (5)0.70924 (4)0.78169 (4)0.02338 (13)
Mo30.71409 (5)0.46257 (4)0.87014 (4)0.02421 (14)
Mo40.30308 (5)0.45055 (4)0.87474 (3)0.01947 (13)
O10.7220 (5)0.3210 (4)0.7987 (3)0.0360 (9)
O20.6944 (4)0.3982 (3)1.0196 (3)0.0217 (7)
O30.9257 (4)0.5885 (4)0.9227 (3)0.0331 (8)
O40.6118 (4)0.5345 (3)0.7394 (3)0.0251 (7)
O50.5165 (5)0.7451 (4)0.6462 (3)0.0367 (9)
O60.8119 (5)0.8226 (4)0.8384 (3)0.0323 (8)
O70.1977 (4)0.0975 (4)0.9125 (3)0.0302 (8)
O80.5097 (5)0.1058 (4)0.9062 (3)0.0315 (8)
O90.4870 (4)0.1946 (3)1.1224 (3)0.0251 (7)
O100.4114 (4)0.3275 (3)0.8387 (3)0.0230 (7)
O110.3945 (4)0.3972 (3)1.0442 (3)0.0224 (7)
O120.3196 (4)0.5401 (3)0.7569 (3)0.0252 (7)
O130.0888 (4)0.3336 (3)0.8320 (3)0.0287 (8)
C10.1896 (8)0.3260 (7)0.4633 (5)0.0441 (14)
C20.1391 (7)0.0999 (6)0.4199 (5)0.0356 (12)
C30.2754 (7)0.1608 (6)0.5295 (5)0.0378 (13)
C40.3582 (8)0.0836 (7)0.5931 (5)0.0474 (15)
H40.44770.12280.66700.057*
C50.2977 (9)0.0555 (8)0.5384 (6)0.0550 (17)
H50.35030.11130.57670.066*
C60.1619 (8)0.1165 (7)0.4286 (6)0.0502 (16)
H60.12610.21100.39600.060*
C70.0803 (8)0.0390 (7)0.3681 (5)0.0437 (14)
H70.01110.07890.29500.052*
C80.1767 (9)0.4635 (8)0.4547 (6)0.0612 (19)
H8A0.26980.52470.43000.092*
H8B0.18770.50740.53100.092*
H8C0.06400.44760.39750.092*
N10.0893 (6)0.2078 (5)0.3826 (4)0.0378 (11)
N20.3021 (6)0.3011 (5)0.5530 (4)0.0424 (12)
H20.37910.36250.61560.051*
N30.8388 (5)0.2151 (5)0.1814 (4)0.0318 (10)
H310.90140.21740.25370.048*
H320.72630.17070.17030.048*
H330.86140.30260.17080.048*
H340.86500.17160.13000.048*
N40.8656 (6)0.1201 (5)0.9329 (4)0.0379 (11)
H410.75270.08860.92110.057*
H420.90600.20820.92470.057*
H430.92120.11441.00470.057*
H440.88210.06910.88150.057*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mo10.0215 (2)0.0177 (2)0.0251 (2)0.00826 (18)0.00838 (18)0.00510 (17)
Mo20.0248 (2)0.0226 (2)0.0257 (2)0.01048 (19)0.01144 (18)0.00796 (18)
Mo30.0227 (2)0.0257 (3)0.0271 (2)0.01116 (19)0.01083 (18)0.00703 (18)
Mo40.0168 (2)0.0191 (2)0.0217 (2)0.00731 (17)0.00574 (17)0.00449 (17)
O10.038 (2)0.036 (2)0.042 (2)0.0203 (18)0.0178 (18)0.0069 (17)
O20.0226 (17)0.0208 (17)0.0230 (16)0.0103 (14)0.0078 (14)0.0061 (13)
O30.0249 (19)0.034 (2)0.040 (2)0.0096 (16)0.0135 (16)0.0113 (17)
O40.0290 (18)0.0268 (18)0.0244 (17)0.0135 (15)0.0130 (15)0.0093 (14)
O50.043 (2)0.041 (2)0.035 (2)0.0209 (19)0.0194 (18)0.0164 (17)
O60.0278 (19)0.0274 (19)0.041 (2)0.0074 (16)0.0163 (16)0.0061 (16)
O70.0254 (18)0.0241 (18)0.037 (2)0.0066 (15)0.0096 (15)0.0072 (15)
O80.037 (2)0.0263 (19)0.040 (2)0.0186 (16)0.0170 (17)0.0089 (16)
O90.0290 (18)0.0227 (17)0.0303 (18)0.0147 (15)0.0137 (15)0.0098 (14)
O100.0241 (17)0.0218 (17)0.0237 (16)0.0101 (14)0.0087 (14)0.0041 (13)
O110.0235 (17)0.0207 (17)0.0233 (17)0.0083 (14)0.0094 (14)0.0062 (14)
O120.0258 (18)0.0270 (18)0.0232 (17)0.0129 (15)0.0061 (14)0.0073 (14)
O130.0218 (18)0.0259 (19)0.0348 (19)0.0073 (15)0.0088 (15)0.0045 (15)
C10.044 (4)0.056 (4)0.038 (3)0.024 (3)0.020 (3)0.005 (3)
C20.033 (3)0.046 (3)0.026 (3)0.016 (3)0.010 (2)0.007 (2)
C30.032 (3)0.050 (4)0.027 (3)0.015 (3)0.009 (2)0.003 (2)
C40.040 (3)0.061 (4)0.033 (3)0.023 (3)0.002 (3)0.003 (3)
C50.054 (4)0.066 (5)0.051 (4)0.034 (4)0.013 (3)0.018 (3)
C60.056 (4)0.044 (4)0.048 (4)0.021 (3)0.015 (3)0.005 (3)
C70.033 (3)0.059 (4)0.031 (3)0.015 (3)0.006 (2)0.005 (3)
C80.064 (5)0.072 (5)0.054 (4)0.035 (4)0.021 (4)0.007 (4)
N10.033 (3)0.048 (3)0.031 (2)0.017 (2)0.010 (2)0.005 (2)
N20.038 (3)0.050 (3)0.028 (2)0.013 (2)0.006 (2)0.003 (2)
N30.026 (2)0.047 (3)0.033 (2)0.025 (2)0.0093 (19)0.018 (2)
N40.034 (3)0.032 (3)0.047 (3)0.012 (2)0.014 (2)0.009 (2)
Geometric parameters (Å, º) top
Mo1—O81.700 (3)O11—Mo3i2.355 (3)
Mo1—O71.703 (3)O11—Mo2i2.414 (3)
Mo1—O91.906 (3)C1—N11.323 (7)
Mo1—O101.981 (3)C1—N21.336 (7)
Mo1—O112.320 (3)C1—C81.484 (9)
Mo1—O22.338 (3)C2—C71.370 (8)
Mo2—O51.686 (3)C2—C31.392 (7)
Mo2—O61.701 (4)C2—N11.400 (7)
Mo2—O9i1.925 (3)C3—N21.385 (7)
Mo2—O41.936 (3)C3—C41.390 (8)
Mo2—O122.278 (3)C4—C51.380 (9)
Mo2—O11i2.414 (3)C4—H40.9300
Mo3—O11.695 (3)C5—C61.392 (8)
Mo3—O31.697 (4)C5—H50.9300
Mo3—O41.904 (3)C6—C71.372 (8)
Mo3—O21.983 (3)C6—H60.9300
Mo3—O11i2.355 (3)C7—H70.9300
Mo3—O102.363 (3)C8—H8A0.9600
Mo4—O131.688 (3)C8—H8B0.9600
Mo4—O121.749 (3)C8—H8C0.9600
Mo4—O2i1.952 (3)N2—H20.8600
Mo4—O101.954 (3)N3—H310.8693
Mo4—O112.141 (3)N3—H320.8720
Mo4—O11i2.345 (3)N3—H330.8799
Mo4—Mo3i3.2064 (8)N3—H340.8769
Mo1—Mo43.2037 (8)N4—H410.8720
Mo3—Mo4i3.2064 (8)N4—H420.8704
O2—Mo4i1.952 (3)N4—H430.8711
O9—Mo2i1.925 (3)N4—H440.8700
O11—Mo4i2.345 (3)
O8—Mo1—O7105.59 (17)O2i—Mo4—Mo1125.41 (9)
O8—Mo1—O9101.38 (15)O10—Mo4—Mo135.78 (9)
O7—Mo1—O9100.30 (15)O11—Mo4—Mo146.36 (8)
O8—Mo1—O10100.29 (15)O11i—Mo4—Mo186.14 (7)
O7—Mo1—O1098.30 (15)O13—Mo4—Mo3i88.83 (12)
O9—Mo1—O10146.33 (14)O12—Mo4—Mo3i132.58 (11)
O8—Mo1—O11159.85 (15)O2i—Mo4—Mo3i35.74 (9)
O7—Mo1—O1194.38 (14)O10—Mo4—Mo3i125.71 (9)
O9—Mo1—O1177.09 (12)O11—Mo4—Mo3i47.25 (8)
O10—Mo1—O1173.71 (12)O11i—Mo4—Mo3i86.15 (7)
O8—Mo1—O288.66 (14)Mo1—Mo4—Mo3i92.161 (17)
O7—Mo1—O2164.34 (14)Mo4i—O2—Mo3109.15 (14)
O9—Mo1—O282.79 (13)Mo4i—O2—Mo1110.34 (14)
O10—Mo1—O272.27 (12)Mo3—O2—Mo1103.94 (13)
O11—Mo1—O271.20 (11)Mo3—O4—Mo2115.24 (16)
O8—Mo1—Mo4135.49 (12)Mo1—O9—Mo2i116.08 (15)
O7—Mo1—Mo485.95 (11)Mo4—O10—Mo1109.00 (15)
O9—Mo1—Mo4118.98 (9)Mo4—O10—Mo3110.37 (14)
O10—Mo1—Mo435.22 (9)Mo1—O10—Mo3103.10 (13)
O11—Mo1—Mo441.90 (7)Mo4—O11—Mo191.74 (11)
O2—Mo1—Mo479.22 (7)Mo4—O11—Mo4i104.90 (13)
O5—Mo2—O6105.30 (18)Mo1—O11—Mo4i98.30 (11)
O5—Mo2—O9i102.71 (15)Mo4—O11—Mo3i90.87 (11)
O6—Mo2—O9i97.23 (15)Mo1—O11—Mo3i162.05 (15)
O5—Mo2—O4101.15 (16)Mo4i—O11—Mo3i98.18 (11)
O6—Mo2—O4100.04 (15)Mo4—O11—Mo2i163.09 (16)
O9i—Mo2—O4145.54 (14)Mo1—O11—Mo2i86.69 (10)
O5—Mo2—O1290.87 (15)Mo4i—O11—Mo2i91.99 (10)
O6—Mo2—O12163.82 (14)Mo3i—O11—Mo2i85.67 (10)
O9i—Mo2—O1278.07 (13)Mo4—O12—Mo2115.85 (15)
O4—Mo2—O1277.06 (13)N1—C1—N2109.2 (5)
O5—Mo2—O11i161.44 (16)N1—C1—C8124.9 (6)
O6—Mo2—O11i93.26 (14)N2—C1—C8125.9 (6)
O9i—Mo2—O11i74.42 (12)C7—C2—C3121.9 (5)
O4—Mo2—O11i75.02 (12)C7—C2—N1132.0 (5)
O12—Mo2—O11i70.57 (11)C3—C2—N1106.0 (5)
O1—Mo3—O3105.40 (18)N2—C3—C4131.8 (5)
O1—Mo3—O4101.23 (16)N2—C3—C2106.3 (5)
O3—Mo3—O4100.92 (16)C4—C3—C2121.9 (6)
O1—Mo3—O2100.41 (16)C5—C4—C3115.0 (5)
O3—Mo3—O299.73 (16)C5—C4—H4122.5
O4—Mo3—O2144.74 (13)C3—C4—H4122.5
O1—Mo3—O11i160.76 (15)C4—C5—C6123.2 (6)
O3—Mo3—O11i93.68 (15)C4—C5—H5118.4
O4—Mo3—O11i77.05 (12)C6—C5—H5118.4
O2—Mo3—O11i73.39 (12)C7—C6—C5120.8 (6)
O1—Mo3—O1090.06 (15)C7—C6—H6119.6
O3—Mo3—O10163.65 (14)C5—C6—H6119.6
O4—Mo3—O1080.79 (13)C2—C7—C6117.1 (5)
O2—Mo3—O1071.68 (12)C2—C7—H7121.4
O11i—Mo3—O1070.72 (11)C6—C7—H7121.4
O1—Mo3—Mo4i135.44 (13)C1—C8—H8A109.5
O3—Mo3—Mo4i86.21 (13)C1—C8—H8B109.5
O4—Mo3—Mo4i118.92 (10)H8A—C8—H8B109.5
O2—Mo3—Mo4i35.11 (9)C1—C8—H8C109.5
O11i—Mo3—Mo4i41.88 (7)H8A—C8—H8C109.5
O10—Mo3—Mo4i78.89 (7)H8B—C8—H8C109.5
O13—Mo4—O12105.37 (16)C1—N1—C2109.1 (5)
O13—Mo4—O2i100.97 (15)C1—N2—C3109.4 (5)
O12—Mo4—O2i96.84 (14)C1—N2—H2125.3
O13—Mo4—O10100.89 (15)C3—N2—H2125.3
O12—Mo4—O1096.26 (14)H31—N3—H32109.9
O2i—Mo4—O10150.47 (13)H31—N3—H33109.0
O13—Mo4—O1197.95 (15)H32—N3—H33108.8
O12—Mo4—O11156.68 (14)H31—N3—H34110.4
O2i—Mo4—O1179.05 (12)H32—N3—H34109.2
O10—Mo4—O1178.46 (12)H33—N3—H34109.6
O13—Mo4—O11i173.04 (14)H41—N4—H42109.4
O12—Mo4—O11i81.58 (13)H41—N4—H43109.3
O2i—Mo4—O11i77.63 (12)H42—N4—H43109.5
O10—Mo4—O11i78.27 (12)H41—N4—H44109.5
O11—Mo4—O11i75.10 (13)H42—N4—H44109.6
O13—Mo4—Mo189.23 (11)H43—N4—H44109.5
O12—Mo4—Mo1132.04 (10)
O8—Mo1—Mo4—O13107.6 (2)O8—Mo1—O10—Mo364.42 (17)
O7—Mo1—Mo4—O130.59 (15)O7—Mo1—O10—Mo3172.03 (14)
O9—Mo1—Mo4—O13100.12 (16)O9—Mo1—O10—Mo365.0 (3)
O10—Mo1—Mo4—O13110.0 (2)O11—Mo1—O10—Mo395.80 (13)
O11—Mo1—Mo4—O13101.76 (17)O2—Mo1—O10—Mo320.82 (11)
O2—Mo1—Mo4—O13175.56 (14)Mo4—Mo1—O10—Mo3117.3 (2)
O8—Mo1—Mo4—O122.6 (2)O1—Mo3—O10—Mo4167.62 (18)
O7—Mo1—Mo4—O12110.76 (19)O3—Mo3—O10—Mo431.2 (6)
O9—Mo1—Mo4—O12149.70 (19)O4—Mo3—O10—Mo466.25 (16)
O10—Mo1—Mo4—O120.2 (2)O2—Mo3—O10—Mo491.43 (16)
O11—Mo1—Mo4—O12148.07 (19)O11i—Mo3—O10—Mo413.16 (12)
O2—Mo1—Mo4—O1274.27 (16)Mo4i—Mo3—O10—Mo455.83 (12)
O8—Mo1—Mo4—O2i149.5 (2)O1—Mo3—O10—Mo176.08 (16)
O7—Mo1—Mo4—O2i102.34 (17)O3—Mo3—O10—Mo185.1 (5)
O9—Mo1—Mo4—O2i2.81 (16)O4—Mo3—O10—Mo1177.45 (15)
O10—Mo1—Mo4—O2i147.1 (2)O2—Mo3—O10—Mo124.87 (13)
O11—Mo1—Mo4—O2i1.18 (15)O11i—Mo3—O10—Mo1103.14 (14)
O2—Mo1—Mo4—O2i72.62 (16)Mo4i—Mo3—O10—Mo160.46 (10)
O8—Mo1—Mo4—O102.4 (2)O13—Mo4—O11—Mo181.27 (14)
O7—Mo1—Mo4—O10110.6 (2)O12—Mo4—O11—Mo197.2 (3)
O9—Mo1—Mo4—O10149.9 (2)O2i—Mo4—O11—Mo1179.02 (13)
O11—Mo1—Mo4—O10148.3 (2)O10—Mo4—O11—Mo118.29 (12)
O2—Mo1—Mo4—O1074.47 (18)O11i—Mo4—O11—Mo199.06 (14)
O8—Mo1—Mo4—O11150.6 (2)Mo3i—Mo4—O11—Mo1162.24 (16)
O7—Mo1—Mo4—O11101.17 (17)O13—Mo4—O11—Mo4i179.67 (14)
O9—Mo1—Mo4—O111.64 (16)O12—Mo4—O11—Mo4i1.9 (4)
O10—Mo1—Mo4—O11148.3 (2)O2i—Mo4—O11—Mo4i79.96 (13)
O2—Mo1—Mo4—O1173.80 (14)O10—Mo4—O11—Mo4i80.77 (14)
O8—Mo1—Mo4—O11i77.59 (19)O11i—Mo4—O11—Mo4i0.0
O7—Mo1—Mo4—O11i174.21 (14)Mo1—Mo4—O11—Mo4i99.06 (14)
O9—Mo1—Mo4—O11i74.67 (14)Mo3i—Mo4—O11—Mo4i98.70 (13)
O10—Mo1—Mo4—O11i75.22 (17)O13—Mo4—O11—Mo3i80.97 (14)
O11—Mo1—Mo4—O11i73.04 (16)O12—Mo4—O11—Mo3i100.6 (3)
O2—Mo1—Mo4—O11i0.76 (10)O2i—Mo4—O11—Mo3i18.74 (12)
O8—Mo1—Mo4—Mo3i163.59 (17)O10—Mo4—O11—Mo3i179.47 (13)
O7—Mo1—Mo4—Mo3i88.21 (12)O11i—Mo4—O11—Mo3i98.70 (13)
O9—Mo1—Mo4—Mo3i11.32 (11)Mo1—Mo4—O11—Mo3i162.24 (16)
O10—Mo1—Mo4—Mo3i161.22 (16)O13—Mo4—O11—Mo2i3.1 (5)
O11—Mo1—Mo4—Mo3i12.96 (12)O12—Mo4—O11—Mo2i178.5 (4)
O2—Mo1—Mo4—Mo3i86.75 (8)O2i—Mo4—O11—Mo2i96.6 (5)
O1—Mo3—O2—Mo4i176.65 (15)O10—Mo4—O11—Mo2i102.6 (5)
O3—Mo3—O2—Mo4i68.87 (19)O11i—Mo4—O11—Mo2i176.6 (6)
O4—Mo3—O2—Mo4i56.3 (3)Mo1—Mo4—O11—Mo2i84.3 (5)
O11i—Mo3—O2—Mo4i22.10 (13)Mo3i—Mo4—O11—Mo2i77.9 (5)
O10—Mo3—O2—Mo4i96.78 (15)O8—Mo1—O11—Mo493.6 (4)
O1—Mo3—O2—Mo165.62 (17)O7—Mo1—O11—Mo478.96 (15)
O3—Mo3—O2—Mo1173.40 (14)O9—Mo1—O11—Mo4178.53 (14)
O4—Mo3—O2—Mo161.4 (3)O10—Mo1—O11—Mo418.42 (12)
O11i—Mo3—O2—Mo195.63 (13)O2—Mo1—O11—Mo494.79 (12)
O10—Mo3—O2—Mo120.95 (11)O8—Mo1—O11—Mo4i11.7 (4)
Mo4i—Mo3—O2—Mo1117.73 (19)O7—Mo1—O11—Mo4i175.71 (14)
O8—Mo1—O2—Mo4i167.01 (17)O9—Mo1—O11—Mo4i76.14 (13)
O7—Mo1—O2—Mo4i37.1 (6)O10—Mo1—O11—Mo4i86.90 (13)
O9—Mo1—O2—Mo4i65.36 (15)O2—Mo1—O11—Mo4i10.54 (10)
O10—Mo1—O2—Mo4i91.74 (15)Mo4—Mo1—O11—Mo4i105.33 (14)
O11—Mo1—O2—Mo4i13.41 (12)O8—Mo1—O11—Mo3i168.2 (4)
Mo4—Mo1—O2—Mo4i56.06 (11)O7—Mo1—O11—Mo3i19.2 (5)
O8—Mo1—O2—Mo376.09 (16)O9—Mo1—O11—Mo3i80.3 (5)
O7—Mo1—O2—Mo379.8 (5)O10—Mo1—O11—Mo3i116.6 (5)
O9—Mo1—O2—Mo3177.74 (14)O2—Mo1—O11—Mo3i167.0 (5)
O10—Mo1—O2—Mo325.16 (13)Mo4—Mo1—O11—Mo3i98.2 (5)
O11—Mo1—O2—Mo3103.49 (13)O8—Mo1—O11—Mo2i103.3 (4)
Mo4—Mo1—O2—Mo360.84 (10)O7—Mo1—O11—Mo2i84.18 (13)
O1—Mo3—O4—Mo2175.76 (17)O9—Mo1—O11—Mo2i15.39 (12)
O3—Mo3—O4—Mo267.5 (2)O10—Mo1—O11—Mo2i178.44 (12)
O2—Mo3—O4—Mo257.4 (3)O2—Mo1—O11—Mo2i102.07 (11)
O11i—Mo3—O4—Mo223.85 (16)Mo4—Mo1—O11—Mo2i163.14 (16)
O10—Mo3—O4—Mo296.03 (17)O13—Mo4—O12—Mo2179.96 (15)
Mo4i—Mo3—O4—Mo224.2 (2)O2i—Mo4—O12—Mo276.65 (17)
O5—Mo2—O4—Mo3175.21 (18)O10—Mo4—O12—Mo276.83 (17)
O6—Mo2—O4—Mo367.3 (2)O11—Mo4—O12—Mo21.5 (4)
O9i—Mo2—O4—Mo351.7 (3)O11i—Mo4—O12—Mo20.29 (14)
O12—Mo2—O4—Mo396.47 (17)Mo1—Mo4—O12—Mo276.71 (19)
O11i—Mo2—O4—Mo323.44 (16)Mo3i—Mo4—O12—Mo277.10 (18)
O8—Mo1—O9—Mo2i178.84 (17)O5—Mo2—O12—Mo4179.40 (19)
O7—Mo1—O9—Mo2i70.5 (2)O6—Mo2—O12—Mo43.2 (6)
O10—Mo1—O9—Mo2i52.0 (3)O9i—Mo2—O12—Mo477.79 (18)
O11—Mo1—O9—Mo2i21.72 (17)O4—Mo2—O12—Mo478.16 (18)
O2—Mo1—O9—Mo2i94.00 (18)O11i—Mo2—O12—Mo40.29 (14)
Mo4—Mo1—O9—Mo2i20.6 (2)C7—C2—C3—N2178.8 (5)
O13—Mo4—O10—Mo173.13 (18)N1—C2—C3—N20.2 (6)
O12—Mo4—O10—Mo1179.85 (15)C7—C2—C3—C40.7 (9)
O2i—Mo4—O10—Mo164.0 (3)N1—C2—C3—C4179.8 (5)
O11—Mo4—O10—Mo122.86 (15)N2—C3—C4—C5178.1 (6)
O11i—Mo4—O10—Mo199.83 (15)C2—C3—C4—C51.3 (9)
Mo3i—Mo4—O10—Mo123.34 (19)C3—C4—C5—C61.1 (10)
O13—Mo4—O10—Mo3174.32 (15)C4—C5—C6—C70.2 (10)
O12—Mo4—O10—Mo367.30 (16)C3—C2—C7—C60.2 (9)
O2i—Mo4—O10—Mo348.6 (3)N1—C2—C7—C6178.5 (6)
O11—Mo4—O10—Mo389.69 (14)C5—C6—C7—C20.4 (9)
O11i—Mo4—O10—Mo312.73 (12)N2—C1—N1—C20.8 (6)
Mo1—Mo4—O10—Mo3112.6 (2)C8—C1—N1—C2179.7 (5)
Mo3i—Mo4—O10—Mo389.21 (13)C7—C2—N1—C1178.3 (6)
O8—Mo1—O10—Mo4178.31 (16)C3—C2—N1—C10.6 (6)
O7—Mo1—O10—Mo470.70 (18)N1—C1—N2—C30.6 (7)
O9—Mo1—O10—Mo452.3 (3)C8—C1—N2—C3179.9 (6)
O11—Mo1—O10—Mo421.47 (14)C4—C3—N2—C1179.2 (6)
O2—Mo1—O10—Mo496.45 (16)C2—C3—N2—C10.2 (6)
Symmetry code: (i) x+1, y+1, z+2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N4—H44···O6ii0.872.383.042 (6)133
N4—H43···O6iii0.872.343.117 (6)149
N4—H42···O13iv0.872.262.932 (6)134
N4—H41···O80.872.152.964 (6)156
N3—H34···N4v0.882.403.192 (6)151
N3—H33···O2v0.882.483.128 (5)131
N3—H32···O9v0.872.112.851 (5)143
N3—H31···N1iv0.871.932.757 (6)159
N2—H2···O40.862.162.992 (6)164
C4—H4···O10.932.463.299 (7)150
C8—H8B···O120.962.563.401 (7)147
C7—H7···O7vi0.932.483.369 (6)159
Symmetry codes: (ii) x, y1, z; (iii) x+2, y+1, z+2; (iv) x+1, y, z; (v) x, y, z1; (vi) x, y, z+1.
 

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