Information card for entry 7702877

Structure parameters

• Common name: Molybdenum(VI) oxide 2:1 complex with 4,9-bis(1,2,4-triazol-4- yl)diamantane Semihydrate
• Chemical name: Molybdenum(VI) oxide 2:1 complex with 4,9-bis(1,2,4-triazol-4-yl)diamantane Semihydrate
• Formula: C18 H23 Mo2 N6 O6.5
• Calculated formula: C18 H22 Mo2 N6 O6.5
• 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: 12.4256 ± 0.0009 Å
• b: 16.6809 ± 0.0016 Å
• c: 10.4993 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2176.2 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 67
• Hermann-Mauguin space group symbol: C m m a
• Hall space group symbol: -C 2a 2
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No