Information card for entry 7217758

Structure parameters

• Chemical name: pyridoxal-isonicotinoyl-hydrazone (μU~eq~6-oxo) -dodecakis(μU~eq~2-oxo)-hexa(oxomolybdenum) acetone solvate (1/3)
• Formula: C23 H34 Mo6 N4 O25
• Calculated formula: C23 H34 Mo6 N4 O25
• 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: 10.5047 ± 0.0002 Å
• b: 18.6297 ± 0.0003 Å
• c: 10.7312 ± 0.0002 Å
• α: 90°
• β: 109.882 ± 0.002°
• γ: 90°
• Cell volume: 1974.91 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No