Information card for entry 2225961

Structure parameters

• Chemical name: Dichlorido[(<i>R</i>,<i>R</i>)-<i>N</i>^1^,<i>N</i>^1^,<i>N</i>^2^- tribenzylcyclohexane-1,2-diamine-κ^2^<i>N</i>^1^,<i>N</i>^2^]copper(II)
• Formula: C27 H32 Cl2 Cu N2
• Calculated formula: C27 H32 Cl2 Cu N2
• SMILES: [Cu]1(Cl)(Cl)[N]([C@@H]2CCCC[C@H]2[NH]1Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Dichlorido[(<i>R</i>,<i>R</i>)-<i>N</i>^1^,<i>N</i>^1^,<i>N</i>^2^-tribenzylcyclohexane-1,2-diamine-κ^2^<i>N</i>^1^,<i>N</i>^2^]copper(II)
• Authors of publication: Nguyen, Quang Trung; Jeong, Jong Hwa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m565
• a: 10.5806 ± 0.0007 Å
• b: 15.4409 ± 0.0008 Å
• c: 16.2579 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2656.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes