Information card for entry 4116931

Structure parameters

• Formula: C13 H32 Cl2 Cu N4 O8
• Calculated formula: C13 H30 Cl2 Cu N4 O8
• Title of publication: On the Structure, Electrochemistry, and Spectroscopy of the (N,N'-Bis(2'-(dimethylamino)ethyl)-N,N'-dimethylpropane-1,3- diamine)copper(II) Ion
• Authors of publication: Paul V. Bernhardt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 771 - 774
• a: 9.1203 ± 0.0006 Å
• b: 9.1203 ± 0.0006 Å
• c: 13.0859 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1088.48 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections: 0.2162
• Weighted residual factors for significantly intense reflections: 0.1735
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No