Information card for entry 7054999

Structure parameters

• Chemical name: cis-dioxido-methanol-(2-oxo-1-naphthaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI)
• Formula: C18 H15 Mo N3 O5
• Calculated formula: C18 H15 Mo N3 O5
• SMILES: C1c2c(ccc3c2cccc3)O[Mo]2(OC(=N[N]=12)c1ccncc1)(=O)(=O)[OH]C
• Title of publication: Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation
• Authors of publication: Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 7322
• a: 25.2633 ± 0.0003 Å
• b: 25.2633 ± 0.0003 Å
• c: 11.2412 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7174.52 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No