Information card for entry 2230609

Structure parameters

• Chemical name: methanol[<i>N</i>'-(3-methoxy-2- oxidobenzylidene)benzohydrazidato]dioxidomolybdenum(VI)
• Formula: C16 H16 Mo N2 O6
• Calculated formula: C16 H16 Mo N2 O6
• SMILES: [Mo]12(OC(=N[N]2=Cc2c(O1)c(OC)ccc2)c1ccccc1)(=O)(=O)[OH]C
• Title of publication: A new Mo^VI^ Schiff base complex: methanol[<i>N</i>'-(3-methoxy-2-oxidobenzylidene)benzohydrazidato]dioxidomolybdenum(VI)
• Authors of publication: Sheikhshoaie, Iran; Langer, Vratislav; Yasrebi, Seyed Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m839 - m840
• a: 29.4 ± 0.013 Å
• b: 8.553 ± 0.004 Å
• c: 14.391 ± 0.006 Å
• α: 90°
• β: 112.993 ± 0.008°
• γ: 90°
• Cell volume: 3331 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes