Information card for entry 2005808

Structure parameters

• Chemical name: diμ-chloro bis-diethylene triamine dicopper(II) dinitrate
• Formula: C4 H13 Cl Cu N4 O3
• Calculated formula: C4 H13 Cl Cu N4 O3
• SMILES: C1C[NH]2CC[NH2][Cu]32([NH2]1)[Cl][Cu]12([Cl]3)[NH2]CC[NH]1CC[NH2]2.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Di-μ-chloro-bis[(diethylenetriamine)copper(II)] Dinitrate
• Authors of publication: Urtiaga, M. K.; Arriortua, M. I.; Cortés, R.; Rojo, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3007 - 3009
• a: 6.68 ± 0.001 Å
• b: 13.996 ± 0.002 Å
• c: 10.816 ± 0.001 Å
• α: 90°
• β: 104.22 ± 0.01°
• γ: 90°
• Cell volume: 980.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for all reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.0621
• Goodness-of-fit parameter for all reflections: 0.651
• Goodness-of-fit parameter for significantly intense reflections: 0.602
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No