Information card for entry 2238655

Structure parameters

• Chemical name: {5,5'-Dihydroxy-2,2'-[(2-hydroxypropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II) dihydrate
• Formula: C17 H20 N2 Ni O7
• Calculated formula: C17 H20 N2 Ni O7
• Title of publication: {5,5'-Dihydroxy-2,2'-[(2-hydroxypropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II) dihydrate
• Authors of publication: Datta, Amitabha; Huang, Jui-Hsien; Sheu, Shiann-Cherng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m559 - m560
• a: 8.201 ± 0.001 Å
• b: 17.887 ± 0.003 Å
• c: 11.863 ± 0.002 Å
• α: 90°
• β: 92.444 ± 0.003°
• γ: 90°
• Cell volume: 1738.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No