Information card for entry 7702875

Structure parameters

• Common name: Molybdenum(VI) oxide 2:1 complex with trans-1,4-bis(1,2,4- triazol-4-yl)cyclohexane
• Chemical name: Molybdenum(VI) oxide 2:1 complex with trans-1,4-bis(1,2,4-triazol-4-yl)cyclohexane
• Formula: C10 H14 Mo2 N6 O6
• Calculated formula: C10 H14 Mo2 N6 O6
• Title of publication: Metal oxide-organic frameworks (MOOFs), a new series of coordination hybrids constructed from molybdenum(VI) oxide and bitopic 1,2,4-triazole linkers.
• Authors of publication: Lysenko, Andrey B.; Senchyk, Ganna A.; Lincke, Jörg; Lässig, Daniel; Fokin, Andrey A.; Butova, Ekaterina D.; Schreiner, Peter R.; Krautscheid, Harald; Domasevitch, Konstantin V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 17
• Pages of publication: 4223 - 4231
• a: 12.0221 ± 0.0007 Å
• b: 13.0629 ± 0.0008 Å
• c: 19.4476 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3054.1 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No