Information card for entry 4346222

Structure parameters

• Chemical name: poly[di-μ-oxido-μ- [4-[3,5-dimethylpyrazol-4-yl]-4H-1,2,4-triazole- κ^4^N1:N2]-diaqua-tetraoxodimolybdenum(VI)]
• Formula: C7 H13 Mo2 N5 O8
• Calculated formula: C7 H13 Mo2 N5 O8
• 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: 7.71946 ± 0.00006 Å
• b: 20.35701 ± 0.00013 Å
• c: 9.41202 ± 0.00009 Å
• α: 90°
• β: 99.2369 ± 0.0008°
• γ: 90°
• Cell volume: 1459.87 ± 0.02 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No