Information card for entry 2234213

Structure parameters

• Chemical name: [<i>N'</i>-(3-Ethoxy-2-oxidobenzylidene)-4-hydroxy-3- methoxybenzohydrazidato](methanol)dioxidomolybdenum(VI)
• Formula: C18 H20 Mo N2 O8
• Calculated formula: C18 H20 Mo N2 O8
• SMILES: [Mo]12([N](N=C(O2)c2cc(OC)c(O)cc2)=Cc2c(O1)c(OCC)ccc2)([OH]C)(=O)=O
• Title of publication: [<i>N</i>'-(3-Ethoxy-2-oxidobenzylidene)-4-hydroxy-3-methoxybenzohydrazidato](methanol)dioxidomolybdenum(VI)
• Authors of publication: Wang, Shou-Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m358 - m359
• a: 10.054 ± 0.002 Å
• b: 16.401 ± 0.003 Å
• c: 12.233 ± 0.003 Å
• α: 90°
• β: 101.946 ± 0.002°
• γ: 90°
• Cell volume: 1973.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes