Information card for entry 2215054

Structure parameters

• Chemical name: Bis[2-(1H-benzimidazol-2-yl-κN^3^)-4,6-dibromophenolato-κO]nickel(II)
• Formula: C26 H14 Br4 N4 Ni O2
• Calculated formula: C26 H14 Br4 N4 Ni O2
• SMILES: c12ccccc2[nH]c2c3cc(cc(c3O[Ni]3([n]12)[n]1c(c2cc(cc(c2O3)Br)Br)[nH]c2c1cccc2)Br)Br
• Title of publication: Bis[2-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)-4,6-dibromophenolato-κ<i>O</i>]nickel(II)
• Authors of publication: Yu Wu; Bin Xie; Like Zou; Jian-Shen Feng; Zongqiu Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2298 - m2298
• a: 12.4177 ± 0.0014 Å
• b: 12.4177 ± 0.0014 Å
• c: 33.389 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5148.6 ± 1.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1348
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes