Information card for entry 2007913

Structure parameters

• Formula: C7 H19 Cl2 Cu N3
• Calculated formula: C7 H19 Cl2 Cu N3
• SMILES: [Cu]12(Cl)(Cl)[NH2]CCC[N]1(CCC[NH2]2)C
• Title of publication: [<i>N</i>-(3-Aminopropyl)-<i>N</i>-methyl-1,3-propanediamine-κ^3^<i>N</i>]dichlorocopper(II)
• Authors of publication: McCasland, Anne K.; Alcock, Nathaniel W.; Busch, Daryle H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1837 - 1839
• a: 6.6583 ± 0.0005 Å
• b: 9.4161 ± 0.0007 Å
• c: 9.5481 ± 0.0007 Å
• α: 96.087 ± 0.002°
• β: 103.348 ± 0.002°
• γ: 90.026 ± 0.001°
• Cell volume: 578.97 ± 0.07 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.094
• Goodness-of-fit parameter for all reflections: 0.888
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No