Information card for entry 7702876

Structure parameters

• Common name: Molybdenum(VI) oxide 2:1 complex with 1,3-bis(1,2,4-triazol-4- yl)adamantane Hexahydrate
• Chemical name: Molybdenum(VI) oxide 2:1 complex with 1,3-bis(1,2,4-triazol-4-yl)adamantane Hexahydrate
• Formula: C14 H30 Mo2 N6 O12
• Calculated formula: C14 H30 Mo2 N6 O12
• 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: 15.1155 ± 0.0009 Å
• b: 12.4471 ± 0.0007 Å
• c: 12.4209 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2336.9 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No