Information card for entry 2013690

Structure parameters

• Chemical name: Bis(dicyanamido)(diethylenetriamine-κ^3^N)copper(II)
• Formula: C8 H13 Cu N9
• Calculated formula: C8 H13 Cu N9
• SMILES: [Cu]12([NH2]CC[NH]1CC[NH2]2)(N=C=NC#N)N=C=NC#N
• Title of publication: Bis(dicyanamido)(diethylenetriamine-κ^3^<i>N</i>)copper(II) and (dicyanamido)(triethylenetetramine-κ^4^<i>N</i>)copper(II) dicyanamide
• Authors of publication: Jun, Luo; Xi-Geng, Zhou; Lin-Hong, Weng; Xiu-Feng, Hou
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m392 - m395
• a: 7.0284 ± 0.001 Å
• b: 12.935 ± 0.002 Å
• c: 13.197 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1199.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0268
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes