Information card for entry 7702878

Structure parameters

• Common name: Molybdenum(VI) oxide 4:1 complex with 1,6-bis(1,2,4-triazol-4- yl)diamantane Dihydrate
• Chemical name: Molybdenum(VI) oxide 4:1 complex with 1,6-bis(1,2,4-triazol-4-yl)diamantane Dihydrate
• Formula: C18 H26 Mo4 N6 O14
• Calculated formula: C18 H26 Mo4 N6 O14
• 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: 7.3804 ± 0.0008 Å
• b: 7.567 ± 0.001 Å
• c: 11.5827 ± 0.0014 Å
• α: 85.928 ± 0.012°
• β: 86.074 ± 0.01°
• γ: 89.873 ± 0.011°
• Cell volume: 643.72 ± 0.14 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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: 0.0302
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No