Information card for entry 1516962

Structure parameters

• Formula: C11 H19 N Ni O8
• Calculated formula: C11 H19 N Ni O8
• SMILES: [Ni]12([N](CC(=O)O1)(CC(=O)O2)Cc1ccccc1)([OH2])([OH2])[OH2].O
• Title of publication: Nickel(II) complexes with N‒aralkyliminodiacetic acids: preparation, spectroscopic, structural and thermal characterization
• Authors of publication: Smrečki, Neven; Kukovec, Boris-Marko; Đaković, Marijana; Popović, Zora
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 122 - 129
• a: 11.3509 ± 0.0002 Å
• b: 16.7012 ± 0.0003 Å
• c: 7.4757 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1417.2 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No