Information card for entry 2205895

Structure parameters

• Chemical name: Bis(5-bromo-N-cyclohexylsalicylideneaminato)nickel(II)
• Formula: C26 H30 Br2 N2 Ni O2
• Calculated formula: C26 H30 Br2 N2 Ni O2
• SMILES: [Ni]12(Oc3c(cc(Br)cc3)C=[N]1C1CCCCC1)Oc1c(cc(Br)cc1)C=[N]2C1CCCCC1
• Title of publication: Bis(5-bromo-<i>N</i>-cyclohexylsalicylideneaminato)nickel(II): an orthorhombic polymorph
• Authors of publication: Sun, Yu-Xi; Yang, Guang; Chen, Guang; Sun, Min; Zhang, Hong-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1103 - m1104
• a: 14.979 ± 0.003 Å
• b: 13.609 ± 0.003 Å
• c: 25.164 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5129.7 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0977
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes