Information card for entry 2013163

Structure parameters

• Formula: C18 H20 N2 Ni O8
• Calculated formula: C18 H20 N2 Ni O8
• SMILES: [Ni]1([OH2])([OH2])([OH2])([OH2])[n]2c(=c3[n]1cccc3)cccc2.[O-]C(=O)c1ccc(cc1)C(=O)[O-]
• Title of publication: Tetraaqua(2,2'-bipyridine)nickel(II) terephthalate
• Authors of publication: Hong-Ping Xiao; Zhan Shi; Long-Guan Zhu; Ru-Ren Xu; Wen-Qin Pang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m82 - m83
• a: 7.5503 ± 0.0002 Å
• b: 23.5347 ± 0.0009 Å
• c: 11.105 ± 0.0004 Å
• α: 90°
• β: 102.427 ± 0.002°
• γ: 90°
• Cell volume: 1927.06 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes