Information card for entry 2202095

Structure parameters

• Chemical name: Diaquaiminodiacetatonickel(II)
• Formula: C4 H9 N Ni O6
• Calculated formula: C4 H9 N Ni O6
• SMILES: [Ni]12(OC(=O)C[NH]2CC(=O)O1)([OH2])([OH2])[O]=C1O[Ni]2(OC(=O)C[NH]2C1)([OH2])[OH2]
• Title of publication: Diaquaiminodiacetatonickel(II)
• Authors of publication: Wu, Yan-Rong; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m390 - m392
• a: 9.761 ± 0.0003 Å
• b: 5.2219 ± 0.0002 Å
• c: 14.1713 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 722.32 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P 21 c a
• Hall space group symbol: P -2ac 2a
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes