Information card for entry 7058984

Structure parameters

• Formula: C16 H17 Mo N3 O6
• Calculated formula: C16 H17 Mo N3 O6
• Title of publication: Discrete mononuclear and dinuclear compounds containing a MoO22+ core and 4-aminobenzhydrazone ligands: synthesis, structure and organic-solvent-free epoxidation activity
• Authors of publication: Cvijanović, Danijela; Pisk, Jana; Pavlović, Gordana; Šišak-Jung, Dubravka; Matković-Čalogović, Dubravka; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1791
• a: 7.7385 ± 0.0003 Å
• b: 21.167 ± 0.0006 Å
• c: 10.5127 ± 0.0005 Å
• α: 90°
• β: 98.484 ± 0.004°
• γ: 90°
• Cell volume: 1703.15 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No