Information card for entry 4316411

Structure parameters

• Formula: C12 H24 N2 O2
• Calculated formula: C12 H24 N2 O2
• SMILES: [C@H]1(CCC[C@H]1O)NCCN[C@@H]1[C@H](CCC1)O
• Title of publication: Amino-Alcohol Ligands: Synthesis and Structure of N,N'-bis(2-hydroxycyclopentyl)ethane-1,2-diamine and Its Salts, and an Assessment of Its Fitness and That of Related Ligands for Complexing Metal Ions
• Authors of publication: Alvaro S. de Sousa; Manuel A. Fernandes; Kamentheren Padayachy; Helder M. Marques
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8003 - 8011
• a: 11.1351 ± 0.0003 Å
• b: 7.7965 ± 0.0002 Å
• c: 7.2759 ± 0.0002 Å
• α: 90°
• β: 99.988 ± 0.001°
• γ: 90°
• Cell volume: 622.08 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No