Information card for entry 2225643

Structure parameters

• Chemical name: {6,6'-Dibromo-4,4'-dichloro-2,2'-[<i>o</i>- phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)
• Formula: C20 H10 Br2 Cl2 N2 Ni O2
• Calculated formula: C20 H10 Br2 Cl2 N2 Ni O2
• SMILES: [Ni]123Oc4c(cc(Cl)cc4Br)C=[N]3c3c([N]2=Cc2c(O1)c(Br)cc(Cl)c2)cccc3
• Title of publication: {6,6'-Dibromo-4,4'-dichloro-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)
• Authors of publication: Ali, Abdulaziz; Abdullah, Norbani; Maah, Mohd Jamil; Lo, Kong Mun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m458
• a: 10.4289 ± 0.0002 Å
• b: 9.2712 ± 0.0002 Å
• c: 20.6731 ± 0.0004 Å
• α: 90°
• β: 102.101 ± 0.001°
• γ: 90°
• Cell volume: 1954.43 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes