Information card for entry 1560623

Structure parameters

• Formula: C14 H16 N2 Ni O6
• Calculated formula: C14 H16 N2 Ni O6
• SMILES: [Ni]12(Oc3c(cc(cc3)C(=O)[O-])C=[N]1Cc1[n]2cccc1)([OH2])([OH2])[OH2]
• Title of publication: Metal-ion exchange induced structural transformation as a way of forming novel Ni(II)− and Cu(II)−salicylaldimine structures
• Authors of publication: Wu, Jing-Yun; Tsai, Chi-Jou; Chang, Ching-Yun; Wu, Yung-Yuan
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 246
• Pages of publication: 23 - 28
• a: 9.1197 ± 0.0005 Å
• b: 13.2536 ± 0.0006 Å
• c: 13.2132 ± 0.0006 Å
• α: 90°
• β: 99.554 ± 0.005°
• γ: 90°
• Cell volume: 1574.91 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0809
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No