Information card for entry 2200714

Structure parameters

• Formula: C20 H26 N2 Ni O12
• Calculated formula: C20 H26 N2 Ni O12
• SMILES: [Ni](OC(=O)/C(=C\C(=O)O)C)([OH2])(OC(=O)C(=C\C(=O)O)/C)([OH2])([n]1ccc(cc1)c1cc[n](cc1)[Ni](OC(=O)/C(=C\C(=O)O)C)(OC(=O)C(=C\C(=O)O)/C)([OH2])[OH2])[n]1ccc(c2cc[n]cc2)cc1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquabis[<i>cis</i>-2-methyl-but-2-enedioate(1‒)-<i>O</i>]nickel(II)]-μ-4,4'-bipyridine-<i>N</i>:<i>N</i>'] dihydrate]
• Authors of publication: Liao, Ju-Hsiou; Su, Ching-Ting; Hsu, Che-Chih
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: m501 - m503
• a: 7.065 ± 0.001 Å
• b: 15.148 ± 0.003 Å
• c: 11.113 ± 0.002 Å
• α: 90°
• β: 98.09 ± 0.01°
• γ: 90°
• Cell volume: 1177.5 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes