Information card for entry 4308641

Structure parameters

• Common name: [Ni(3MeOsalamo)(H2O)2]
• Formula: C18 H22 N2 Ni O8
• Calculated formula: C18 H22 N2 Ni O8
• SMILES: [Ni]123(Oc4c(cccc4OC)C=[N]1OCCO[N]2=Cc1c(c(ccc1)OC)O3)([OH2])[OH2]
• Title of publication: Novel Thiosalamo Ligand as a Remarkably Stable N2S2 Salen-Type Chelate and Synthesis of a Nickel(II) Complex
• Authors of publication: Shigehisa Akine; Tatsuya Nabeshima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1205 - 1207
• a: 23.795 ± 0.004 Å
• b: 10.8068 ± 0.0016 Å
• c: 7.5256 ± 0.0015 Å
• α: 90°
• β: 107.184 ± 0.01°
• γ: 90°
• Cell volume: 1848.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1549
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No