Information card for entry 4346224

Structure parameters

• Chemical name: poly[di-μ~3~-oxido-μ- [4-[4'-(2H-tetrazol-5-yl)phenyl]-4H-1,2,4-triazole- κ^2^N1:N2]-tetraoxodimolybdenum(VI)]
• Formula: C9 H7 Mo2 N7 O6
• Calculated formula: C9 H7 Mo2 N7 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: 7.209 ± 0.0009 Å
• b: 7.2984 ± 0.001 Å
• c: 13.5507 ± 0.0012 Å
• α: 89.506 ± 0.011°
• β: 81.088 ± 0.01°
• γ: 87.361 ± 0.011°
• Cell volume: 703.6 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No