Information card for entry 2011457

Structure parameters

• Common name: Tetraimidazolium octamolybdate(VI)
• Formula: C12 H20 Mo8 N8 O26
• Calculated formula: C12 H20 Mo8 N8 O26
• SMILES: c1[nH]cc[nH+]1.[nH]1c[nH+]cc1.O1[Mo]23([O]4[Mo]567(=O)[O]89[Mo]%10%11%12([O]26[Mo]2([O]%10[Mo]8(O[Mo](O[Mo]49([O]3%11)(=O)=O)(O5)(=O)=O)([O]72)(=O)=O)(O[Mo]1(O%12)(=O)=O)(=O)=O)=O)(=O)=O.c1[nH]cc[nH+]1.c1[nH]cc[nH+]1
• Title of publication: A new inorganic‒organic hybrid: tetraimidazolium octamolybdate(VI) containing the β-form of the [Mo~8~O~26~]^4{-^} anion
• Authors of publication: Gili, Pedro; Núñez, Pedro; Martín-Zarza, Pedro; Lorenzo-Luis, Pablo A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e441 - e442
• a: 9.3491 ± 0.0015 Å
• b: 9.7506 ± 0.0012 Å
• c: 10.3634 ± 0.0016 Å
• α: 83.938 ± 0.011°
• β: 75.667 ± 0.012°
• γ: 64.891 ± 0.01°
• Cell volume: 828.8 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No