Information card for entry 4316414

Structure parameters

• Formula: C12 H26 Cl2 N2 O2
• Calculated formula: C12 H26 Cl2 N2 O2
• SMILES: [C@@H]1([C@@H](CCC1)O)[NH2+]CC[NH2+][C@@H]1[C@H](CCC1)O.[Cl-].[Cl-]
• 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: 5.8335 ± 0.0003 Å
• b: 7.1178 ± 0.0004 Å
• c: 9.9264 ± 0.0004 Å
• α: 103.417 ± 0.003°
• β: 94.39 ± 0.003°
• γ: 109.438 ± 0.003°
• Cell volume: 372.71 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No