Information card for entry 2224529

Structure parameters

• Chemical name: Tetraaquabis[3-(4-pyridyl)benzoato-κ<i>N</i>]nickel(II)
• Formula: C24 H24 N2 Ni O8
• Calculated formula: C24 H24 N2 Ni O8
• SMILES: C(=O)(c1cccc(c1)c1cc[n](cc1)[Ni]([OH2])([OH2])([n]1ccc(c2cccc(C(=O)[O-])c2)cc1)([OH2])[OH2])[O-]
• Title of publication: Tetraaquabis[3-(4-pyridyl)benzoato-κ<i>N</i>]nickel(II)
• Authors of publication: Wang, Qiang-Xin; Zeng, Ming-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1708
• a: 24.564 ± 0.003 Å
• b: 7.052 ± 0.0008 Å
• c: 13.781 ± 0.002 Å
• α: 90°
• β: 113.325 ± 0.002°
• γ: 90°
• Cell volume: 2192.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0895
• 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