Information card for entry 2200788

Structure parameters

• Common name: copper(II)diene dichloride
• Formula: C8 H28 Cl4 Cu2 N6 O
• Calculated formula: C8 H28 Cl4 Cu2 N6 O
• SMILES: O.[NH2]1[Cu]2(Cl)([Cl][Cu]34[NH2]CC[NH]3CC[NH2]4)[NH2]CC[NH]2CC1.[Cl-].[Cl-]
• Title of publication: Aqua-di-μ~2~-chloro-bis(diethylenetriamine)dicopper(II) dichloride
• Authors of publication: Willett, Roger D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: m605 - m606
• a: 6.7155 ± 0.0008 Å
• b: 14.6106 ± 0.0011 Å
• c: 10.3011 ± 0.0008 Å
• α: 90°
• β: 95.333 ± 0.01°
• γ: 90°
• Cell volume: 1006.34 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes