Information card for entry 8105311

Structure parameters

• Chemical name: (2,2'-(cyclohexane-1,2-diylbis((nitrilo)methylylidene))bis(3-bromo-5-\ chlorophenolato))-nickel(II)
• Formula: C20 H16 Br2 Cl2 N2 Ni O2
• Calculated formula: C20 H16 Br2 Cl2 N2 Ni O2
• SMILES: Brc1c2c(C=[N]3[C@@H]4CCCC[C@@H]4[N]4=Cc5cc(cc(c5O[Ni]34O2)Br)Cl)cc(c1)Cl
• Title of publication: Crystal structure of 6,6′-((cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-bromo-4-chlorophenolato-κ4 N,N′,O,O′)nickel(II), C20H16Br2Cl2NiN2O2
• Authors of publication: Jiang, Fang; Lei, Yan; Ting, Liu; Yang, Xiongzi; Wu, Qiong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 863 - 864
• a: 12.6946 ± 0.0007 Å
• b: 11.9262 ± 0.0007 Å
• c: 14.9398 ± 0.0009 Å
• α: 90°
• β: 115.14°
• γ: 90°
• Cell volume: 2047.6 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No