Information card for entry 2231671

Structure parameters

• Chemical name: Dibromido(4,7-diazadecane-1,10-diamine)copper(II)
• Formula: C8 H22 Br2 Cu N4
• Calculated formula: C8 H22 Br2 Cu N4
• SMILES: [Cu]123(Br)(Br)[NH2]CCC[NH]1CC[NH]2CCC[NH2]3
• Title of publication: Dibromido(4,7-diazadecane-1,10-diamine)copper(II)
• Authors of publication: Assey, Gervas E.; Butcher, Ray J.; Gultneh, Yilma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1266
• a: 6.9666 ± 0.0004 Å
• b: 8.4146 ± 0.0006 Å
• c: 24.0261 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1408.44 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes