Information card for entry 2202561

Structure parameters

• Chemical name: Dichloro[trans-(1R,2R)-N,N,N',N'-tetramethylcyclohexane-1,2-diamine]copper(II)
• Formula: C10 H22 Cl2 Cu N2
• Calculated formula: C10 H22 Cl2 Cu N2
• SMILES: [Cu]1([N]([C@H]2[C@H]([N]1(C)C)CCCC2)(C)C)(Cl)Cl
• Title of publication: Dichloro[<i>trans</i>-(1<i>R</i>,2<i>R</i>)-<i>N,N,N</i>',<i>N</i>'-tetramethylcyclohexane-1,2-diamine]copper(II)
• Authors of publication: Svitlana V. Pavlova; Wen, Yuh-Sheng; Sunney I. Chan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m792 - m793
• a: 8.8574 ± 0.0008 Å
• b: 10.595 ± 0.001 Å
• c: 8.0634 ± 0.0005 Å
• α: 90°
• β: 118.939 ± 0.006°
• γ: 90°
• Cell volume: 662.22 ± 0.1 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes