Information card for entry 2224587

Structure parameters

• Chemical name: Bis[2-(cyclohexyliminomethyl)-5-methoxyphenolato]copper(II)
• Formula: C28 H36 Cu N2 O4
• Calculated formula: C28 H36 Cu N2 O4
• SMILES: c12C=[N]([Cu]3([N](=Cc4c(cc(cc4)OC)O3)C3CCCCC3)Oc1cc(cc2)OC)C1CCCCC1
• Title of publication: Bis[2-(cyclohexyliminomethyl)-5-methoxyphenolato]copper(II)
• Authors of publication: Miao, Jian-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m14
• a: 6.4557 ± 0.001 Å
• b: 11.517 ± 0.0017 Å
• c: 17.074 ± 0.003 Å
• α: 90°
• β: 99.138 ± 0.002°
• γ: 90°
• Cell volume: 1253.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes