Information card for entry 7002851

Structure parameters

• Formula: C12 H32 Cl2 N4 O4 Zn
• Calculated formula: C12 H32 Cl2 N4 O4 Zn
• SMILES: C(C[NH]1CC[NH](CCO)[Zn]21[NH](CCO)CC[NH]2CCO)O.[Cl-].[Cl-]
• 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: 15.3169 ± 0.0002 Å
• b: 8.98 ± 0.0001 Å
• c: 14.3231 ± 0.0002 Å
• α: 90°
• β: 105.226 ± 0.001°
• γ: 90°
• Cell volume: 1900.93 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0246
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No