Information card for entry 8105019

Structure parameters

• Formula: C19 H15 N3 Ni O10
• Calculated formula: C19 H15 N3 Ni O10
• SMILES: [Ni]123([n]4c(c5cc(cc[n]15)C(=O)O)cc(cc4)C(=O)O)([n]1c(cccc1C(=O)O3)C(=O)O2)[OH2].O
• Title of publication: Crystal structure of biaqua(2,2′-bipyridine-4,4′-dicarboxylato-κ2N,N′)(pyridine-2,6-dicarboxylato-κ3O,N,O′)nickel(II) hydrate, C19H15N3NiO10
• Authors of publication: Jiang, Jin-Ke; Yang, Ying-Wen; Jiang, Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 67 - 68
• a: 12.7175 ± 0.001 Å
• b: 10.678 ± 0.001 Å
• c: 15.0802 ± 0.0016 Å
• α: 90°
• β: 96.786 ± 0.009°
• γ: 90°
• Cell volume: 2033.5 ± 0.3 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: 0.0491
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No