Information card for entry 2209418

Structure parameters

• Chemical name: Bis[1-(but-2-enyl)-5-nitro-1H-benzimidazole-κN^3^]dichlorocobalt(II)
• Formula: C22 H22 Cl2 Co N6 O4
• Calculated formula: C22 H22 Cl2 Co N6 O4
• SMILES: c12cc(ccc1n(c[n]2[Co]([n]1c2cc(ccc2n(c1)C/C=C/C)N(=O)=O)(Cl)Cl)C/C=C/C)N(=O)=O
• Title of publication: Bis[1-(but-2-enyl)-5-nitro-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]dichlorocobalt(II)
• Authors of publication: Şerife Pınar; Mehmet Akkurt; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1663 - m1665
• a: 15.9533 ± 0.0011 Å
• b: 11.4385 ± 0.0006 Å
• c: 15.4545 ± 0.001 Å
• α: 90°
• β: 114.736 ± 0.005°
• γ: 90°
• Cell volume: 2561.4 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0561
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes