Information card for entry 2229700

Structure parameters

• Chemical name: {4,4'-Dibromo-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)
• Formula: C19 H18 Br2 N2 Ni O2
• Calculated formula: C19 H18 Br2 N2 Ni O2
• SMILES: CC1(C)C[N]2[Ni]3([N](C1)=Cc1cc(ccc1O3)Br)Oc1ccc(cc1C=2)Br
• Title of publication: {4,4'-Dibromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)
• Authors of publication: Rayati, Saeed; Ghaemi, Akbar; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m448
• a: 24.227 ± 0.006 Å
• b: 11.03 ± 0.003 Å
• c: 7.535 ± 0.002 Å
• α: 90°
• β: 107.939 ± 0.019°
• γ: 90°
• Cell volume: 1915.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes