Information card for entry 2205074

Structure parameters

• Chemical name: [N,N'-Ethylenebis(salicylideneiminato)]nickel(II) chloroform solvate
• Formula: C17 H15 Cl3 N2 Ni O2
• Calculated formula: C17 H15 Cl3 N2 Ni O2
• SMILES: c12ccccc1C=[N]1CC[N]3[Ni]1(O2)Oc1ccccc1C=3.C(Cl)(Cl)Cl
• Title of publication: [<i>N</i>,<i>N</i>'-Ethylenebis(salicylideneiminato)]nickel(II) chloroform solvate
• Authors of publication: Cheng, Xiao-Li; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m385 - m386
• a: 6.997 ± 0.001 Å
• b: 14.221 ± 0.003 Å
• c: 18.355 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1826.4 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes