Information card for entry 2016456

Structure parameters

• Chemical name: {2-[(2-hydroxyethyl)iminiomethyl]phenolato-κO}dioxido(2-[(2-\ oxidoethyl)iminomethyl]phenolato-κ^3^O,N,O')molybdenum(VI)
• Formula: C18 H20 Mo N2 O6
• Calculated formula: C18 H20 Mo N2 O6
• SMILES: [Mo]12([N](=Cc3ccccc3O1)CCO2)(=O)(=O)Oc1ccccc1/C=[NH+]/CCO
• Title of publication: Polymorph of {2-[(2-hydroxyethyl)iminiomethyl]phenolato-κ<i>O</i>}dioxido{2-[(2-oxidoethyl)iminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}molybdenum(VI)
• Authors of publication: Agustin, Dominique; Jean-Claude Daran; Poli, Rinaldo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m101 - m104
• a: 10.0953 ± 0.0005 Å
• b: 13.5645 ± 0.0008 Å
• c: 21.8864 ± 0.0014 Å
• α: 81.731 ± 0.005°
• β: 86.437 ± 0.005°
• γ: 71.422 ± 0.005°
• Cell volume: 2810.9 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes