Information card for entry 2218736

Structure parameters

• Chemical name: {4,4',6,6'-Tetrachloro-2,2'-[(spiro[4.4]nonane-1,6- diyl)bis(nitrilomethylidyne)]diphenolato-κ^4^O,N,N',O'}nickel(II)
• Formula: C23 H20 Cl4 N2 Ni O2
• Calculated formula: C23 H20 Cl4 N2 Ni O2
• SMILES: [Ni]123Oc4c(Cl)cc(cc4C=[N]2[C@H]2CCCC42[C@H]([N]3=Cc2c(c(Cl)cc(c2)Cl)O1)CCC4)Cl.[Ni]123Oc4c(Cl)cc(cc4C=[N]2[C@@H]2CCCC42[C@@H]([N]3=Cc2c(c(Cl)cc(c2)Cl)O1)CCC4)Cl
• Title of publication: {4,4',6,6'-Tetrachloro-2,2'-[(spiro[4.4]nonane-1,6-diyl)bis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)
• Authors of publication: Ni, Fan; Wu, Zhi-Qing; Liang, Lei; Zhou, Xiang-Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m903
• a: 13.344 ± 0.002 Å
• b: 12.073 ± 0.002 Å
• c: 14.081 ± 0.002 Å
• α: 90°
• β: 97.181 ± 0.003°
• γ: 90°
• Cell volume: 2250.7 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No