Information card for entry 2227885

Structure parameters

• Chemical name: [2-({3-[(3-Aminopropyl)amino]propyl}iminomethyl)phenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>'',<i>N</i>''']bromidocopper(II)
• Formula: C13 H20 Br Cu N3 O
• Calculated formula: C13 H20 Br Cu N3 O
• SMILES: [Cu]123(Br)Oc4ccccc4C=[N]1CCC[NH]2CCC[NH2]3
• Title of publication: [2-({3-[(3-Aminopropyl)amino]propyl}iminomethyl)phenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>'',<i>N</i>''']bromidocopper(II)
• Authors of publication: Assey, Gervas E.; Butcher, Anand M.; Butcher, Ray J.; Gultneh, Yilma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1475
• a: 12.3272 ± 0.0002 Å
• b: 11.34425 ± 0.00019 Å
• c: 20.5729 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2876.97 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes