Information card for entry 2209860

Structure parameters

• Chemical name: Bis[2-(cyclohexyliminomethyl)-6-methoxyphenolato]nickel(II)
• Formula: C28 H36 N2 Ni O4
• Calculated formula: C28 H36 N2 Ni O4
• SMILES: C1c2c(O[Ni]3([N]=1C1CCCCC1)[N](=Cc1c(c(ccc1)OC)O3)C1CCCCC1)c(ccc2)OC
• Title of publication: Bis[2-(cyclohexyliminomethyl)-6-methoxyphenolato]nickel(II)
• Authors of publication: Chenyi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1754 - m1755
• a: 11.043 ± 0.001 Å
• b: 18.041 ± 0.004 Å
• c: 6.465 ± 0.002 Å
• α: 90°
• β: 99.99 ± 0.003°
• γ: 90°
• Cell volume: 1268.5 ± 0.5 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: 0.1136
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes