Information card for entry 2235085

Structure parameters

• Chemical name: Tris(5,6-dimethyl-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: C34 H33 N7 Ni O4
• Calculated formula: C34 H33 N7 Ni O4
• SMILES: [Ni]12([n]3c(C(=O)O1)cccc3C(=O)O2)([n]1c2cc(c(cc2[nH]c1)C)C)([n]1c2cc(C)c(cc2[nH]c1)C)[n]1c[nH]c2cc(c(cc12)C)C
• Title of publication: Tris(5,6-dimethyl-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: m739
• a: 7.5884 ± 0.0007 Å
• b: 9.4499 ± 0.0009 Å
• c: 23.839 ± 0.002 Å
• α: 89.004 ± 0.0009°
• β: 81.484 ± 0.001°
• γ: 74.078 ± 0.001°
• Cell volume: 1625.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes