Information card for entry 7217757

Structure parameters

• Chemical name: bis(cis-(NCsp^3^'-((3-oxy)-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzhydrazonato-dioxo-molybdenum(VI)) (μU~eq~6-oxo)-dodecakis(μU~eq~2-oxo)-hexa(oxomolybdenum) acetonitrile solvate (1/2)
• Formula: C17 H17 Mo4 N4 O14.5
• Calculated formula: C17 H17 Mo4 N4 O14.5
• Title of publication: Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions
• Authors of publication: Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 16.04016 ± 0.00012 Å
• b: 16.04016 ± 0.00012 Å
• c: 17.79763 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3965.61 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No