Information card for entry 2212502

Structure parameters

• Chemical name: Bis[2-methoxy-6-(cyclopentyliminomethyl)phenolato]nickel(II)
• Formula: C26 H32 N2 Ni O4
• Calculated formula: C26 H32 N2 Ni O4
• SMILES: c12c(cccc2C=[N]([Ni]2(O1)[N](=Cc1c(c(ccc1)OC)O2)C1CCCC1)C1CCCC1)OC
• Title of publication: Bis[6-(cyclopentyliminomethyl)-2-methoxyphenolato]nickel(II)
• Authors of publication: Xiao-Fan Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m704 - m705
• a: 12.062 ± 0.001 Å
• b: 10.811 ± 0.001 Å
• c: 17.887 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2332.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes