Information card for entry 2240063

Structure parameters

• Chemical name: Bis[2-(1<i>H</i>-benzimidazol-2-yl)-4-bromophenolato-κ^2^<i>N</i>^3^,<i>O</i>]cobalt(II)
• Formula: C26 H16 Br2 Co N4 O2
• Calculated formula: C26 H16 Br2 Co N4 O2
• SMILES: Brc1cc2c3[n]([Co]4(Oc2cc1)Oc1c(c2[n]4c4c([nH]2)cccc4)cc(Br)cc1)c1c([nH]3)cccc1
• Title of publication: Crystal structure of bis[2-(1<i>H</i>-benzimidazol-2-yl)-4-bromophenolato-κ^2^<i>N</i>^3^,<i>O</i>]cobalt(II)
• Authors of publication: Fan, Yan; Qu, Zhi-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: m363 - m364
• a: 22.4334 ± 0.0016 Å
• b: 8.3598 ± 0.0006 Å
• c: 30.0748 ± 0.0016 Å
• α: 90°
• β: 125.323 ± 0.004°
• γ: 90°
• Cell volume: 4601.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1125
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes