Information card for entry 7054993

Structure parameters

• Chemical name: cis-dioxido-aqua-(2-oxobenzaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI)) chloride
• Formula: C13 H12 Cl Mo N3 O5
• Calculated formula: C13 H12 Cl Mo N3 O5
• SMILES: [Mo]12([OH2])(=O)(OC(=N[N]2=Cc2ccccc2O1)c1cc[nH+]cc1)=O.[Cl-]
• 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: 13.309 ± 0.0005 Å
• b: 9.40511 ± 0.00019 Å
• c: 13.7393 ± 0.0004 Å
• α: 90°
• β: 114.964 ± 0.004°
• γ: 90°
• Cell volume: 1559.11 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0516
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No