Information card for entry 2234155

Structure parameters

• Chemical name: [2-(Dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>][2-(dimethylamino)ethanolato- κ^2^<i>N</i>,<i>O</i>]iodidocopper(II)
• Formula: C8 H21 Cu I N2 O2
• Calculated formula: C8 H21 Cu I N2 O2
• SMILES: I[Cu]1(OCC[N]1(C)C)[N](CCO)(C)C
• Title of publication: [2-(Dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>][2-(dimethylamino)ethanolato-κ^2^<i>N</i>,<i>O</i>]iodidocopper(II)
• Authors of publication: Buvaylo, Elena A.; Kokozay, Volodymyr N.; Vassilyeva, Olga Yu.; Skelton, Brian W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m419 - m420
• a: 8.69 ± 0.001 Å
• b: 15.241 ± 0.001 Å
• c: 11.116 ± 0.001 Å
• α: 90°
• β: 106.847 ± 0.01°
• γ: 90°
• Cell volume: 1409.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1935
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes