Information card for entry 2011408

Structure parameters

• Common name: Ni(t-salpd)
• Formula: C19 H24 N2 Ni O6
• Calculated formula: C19 H24 N2 Ni O6
• SMILES: c12c(cccc1C=[N]1CCC[N]3[Ni]1(O2)([OH2])(Oc1c(cccc1C=3)OC)[OH2])OC
• Title of publication: Diaqua{6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}nickel(II)
• Authors of publication: Gomes, Ligia; Sousa, Carla; Freire, Cristina; de Castro, Baltazar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1201 - 1203
• a: 7.4077 ± 0.0011 Å
• b: 22.064 ± 0.003 Å
• c: 11.585 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1893.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes