Information card for entry 2207098

Structure parameters

• Common name: Tris(2,2'-biimidazole)nickel(II) phthalate
• Chemical name: Tris(2,2'-biimidazole)nickel(II) phthalate
• Formula: C26 H22 N12 Ni O4
• Calculated formula: C26 H22 N12 Ni O4
• SMILES: [Ni]123([n]4cc[nH]c4c4[n]1cc[nH]4)([n]1cc[nH]c1c1[n]2cc[nH]1)[n]1c([nH]cc1)c1[n]3cc[nH]1.O=C([O-])c1ccccc1C(=O)[O-]
• Title of publication: Tris(2,2'-biimidazole)nickel(II) phthalate
• Authors of publication: Yang, Li-Ning; Li, Jun; Zhang, Feng-Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2169 - m2171
• a: 23.5242 ± 0.0018 Å
• b: 11.1168 ± 0.0009 Å
• c: 23.8578 ± 0.0019 Å
• α: 90°
• β: 115.325 ± 0.001°
• γ: 90°
• Cell volume: 5639.5 ± 0.8 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: 0.0698
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No