Information card for entry 2235138

Structure parameters

• Chemical name: Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II)
• Formula: C28 H21 N7 Ni O4
• Calculated formula: C28 H21 N7 Ni O4
• SMILES: [Ni]12(OC(=O)c3[n]1c(ccc3)C(=O)O2)([n]1c2c([nH]c1)cccc2)([n]1c2ccccc2[nH]c1)[n]1c2c([nH]c1)cccc2
• Title of publication: Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II)
• Authors of publication: Li, Yue-Hua; Li, Feng-Feng; Liu, Xin-Hua; Zhao, Ling-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m740
• a: 9.4546 ± 0.0019 Å
• b: 10.487 ± 0.002 Å
• c: 27.532 ± 0.005 Å
• α: 90°
• β: 98.94 ± 0.03°
• γ: 90°
• Cell volume: 2696.6 ± 0.9 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: 0.1592
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes