Information card for entry 2018295

Structure parameters

• Chemical name: <i>trans</i>-bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis(1<i>H</i>- benzimidazole-2-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)nickel(II)
• Formula: C30 H22 N8 Ni O4
• Calculated formula: C30 H22 N8 Ni O4
• SMILES: C1(=O)O[Ni]2([n]3c1[nH]c1ccccc31)([n]1c(C(=O)O2)[nH]c2ccccc12)([n]1c[nH]c2c1cccc2)[n]1c[nH]c2c1cccc2
• Title of publication: Two mononuclear octahedral complexes with benzimidazole-2-carboxylate: supramolecular networks constructed by hydrogen bonds
• Authors of publication: Fan, Jun; Cai, Song-Liang; Zheng, Sheng-Run; Zhang, Wei-Guang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m346 - m350
• a: 10.321 ± 0.002 Å
• b: 12.923 ± 0.003 Å
• c: 11.495 ± 0.002 Å
• α: 90°
• β: 112.21 ± 0.03°
• γ: 90°
• Cell volume: 1419.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes