Information card for entry 7002850

Structure parameters

• Formula: C6 H18 N4 O8
• Calculated formula: C6 H18 N4 O8
• SMILES: C(C[NH2+]CC[NH2+]CCO)O.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: The structure of N,N′-bis(2-hydroxyethyl)ethane-1,2-diamine and its complexes with Zn(ii) and Cd(ii)
• Authors of publication: de Sousa, Alvaro S.; Reisinger, Sandra A.; Fernandes, Manuel A.; Perry, Christopher B.; Varadwaj, Pradeep R.; Marques, Helder M.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 10208 - 10218
• a: 7.623 ± 0.0003 Å
• b: 10.0645 ± 0.0005 Å
• c: 15.6002 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1196.87 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No