Information card for entry 7217762

Structure parameters

• Chemical name: cis-(N-((3-oxy)-5-(hydroxymethyl)-2 -methylpyridin-4-yl)methylene)-4- hydroxylbenzhydrazonato-methanol- dioxo-molybdenum(VI) methanol solvate
• Formula: C17 H21 Mo N3 O8
• Calculated formula: C17 H21 Mo N3 O8
• SMILES: C1(=N[N]2=Cc3c(cnc(c3O[Mo]2(O1)(=O)(=O)[OH]C)C)CO)c1ccc(cc1)O.CO
• 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: 7.8373 ± 0.0005 Å
• b: 9.3588 ± 0.0004 Å
• c: 13.025 ± 0.003 Å
• α: 92.297 ± 0.008°
• β: 103.058 ± 0.005°
• γ: 95.262 ± 0.005°
• Cell volume: 924.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.022
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No