Information card for entry 2016358

Structure parameters

• Chemical name: Bis[N,N'-(2-chlorobenzylidene)ethylenediamine-κ^2^N,N']copper(I) dichloridocuprate(I) acetonitrile solvate
• Formula: C34 H31 Cl6 Cu2 N5
• Calculated formula: C34 H31 Cl6 Cu2 N5
• Title of publication: Bis[<i>N</i>,<i>N</i>'-(2-chlorobenzylidene)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']copper(I) dichloridocuprate(I) acetonitrile solvate
• Authors of publication: Habibi, Mohammad Hossein; Montazerozohori, Morteza; Barati, Kazem; Harrington, Ross W.; Clegg, William
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m592 - m594
• a: 7.845 ± 0.005 Å
• b: 16.965 ± 0.01 Å
• c: 26.915 ± 0.015 Å
• α: 90°
• β: 97.896 ± 0.009°
• γ: 90°
• Cell volume: 3548 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.113
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.788
• Diffraction radiation wavelength: 0.8462 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes