Information card for entry 1516963

Structure parameters

• Formula: C13 H21 N Ni O7
• Calculated formula: C13 H21 N Ni O7
• SMILES: [Ni]12([N](CC(=O)O1)(CC(=O)O2)CCCc1ccccc1)([OH2])([OH2])[OH2]
• 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: 18.1964 ± 0.0004 Å
• b: 7.754 ± 0.0002 Å
• c: 11.2469 ± 0.0002 Å
• α: 90°
• β: 102.004 ± 0.002°
• γ: 90°
• Cell volume: 1552.18 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No