Information card for entry 4346226

Structure parameters

• Chemical name: poly[di-μ-oxido-μ~4~-[1,3-bis-(1,2,4-triazol-4-yl)adamantane- κ^4^N1:N2:N1':N2']-tetraoxodimolybdenum(VI)] Monohydrate
• Formula: C14 H20 Mo2 N6 O7
• Calculated formula: C14 H20 Mo2 N6 O7
• Title of publication: Synthesis and Structural Elucidation of Triazolylmolybdenum(VI) Oxide Hybrids and Their Behavior as Oxidation Catalysts.
• Authors of publication: Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Hauser, Jürg; Fuhrmann, Daniel; Kobalz, Merten; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8327 - 8338
• a: 12.5413 ± 0.0009 Å
• b: 17.265 ± 0.0015 Å
• c: 17.6107 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3813.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 69
• Hermann-Mauguin space group symbol: F m m m
• Hall space group symbol: -F 2 2
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No