Information card for entry 4346221

Structure parameters

• Chemical name: poly[di-μ-oxido-bis-μ-[4-amino-4H-1,2,4-triazole- κ^4^N1:N2]-tetraoxodimolybdenum(VI)]
• Formula: C4 H8 Mo2 N8 O6
• Calculated formula: C4 H8 Mo2 N8 O6
• 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: 12.7099 ± 0.0007 Å
• b: 12.2485 ± 0.0006 Å
• c: 14.8299 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2308.7 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No