Information card for entry 7054996

Structure parameters

• Chemical name: cis-dioxido-methanol-(2-oxo-1-naphthaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI) chloride
• Formula: C18 H16 Cl Mo N3 O5
• Calculated formula: C18 H16 Cl Mo N3 O5
• SMILES: C1c2c(ccc3c2cccc3)O[Mo]2([N]=1N=C(c1cc[nH+]cc1)O2)(=O)(=O)[OH]C.[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: 7.5013 ± 0.0005 Å
• b: 9.4538 ± 0.0009 Å
• c: 13.3244 ± 0.0007 Å
• α: 96.89 ± 0.006°
• β: 90.248 ± 0.005°
• γ: 97.558 ± 0.007°
• Cell volume: 929.74 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No