Information card for entry 2211298

Structure parameters

• Chemical name: Bromo bis[N,N'-(2-chlorobenzylidene)ethylenediamine(triphenylphosphine)]copper(I)
• Formula: C34 H29 Br Cl2 Cu N2 P
• Calculated formula: C34 H29 Br Cl2 Cu N2 P
• SMILES: Br[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](CC[N]1=Cc1c(Cl)cccc1)=Cc1ccccc1Cl
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(2-chlorobenzylidene)ethylenediamine]bromo(triphenylphosphine)copper(I)
• Authors of publication: Habibi, Mohammad Hossein; Montazerozohori, Morteza; Barati, Kazem; Lee, Uk; Choi, Jong-Ha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3392 - m3394
• a: 10.305 ± 0.0005 Å
• b: 21.671 ± 0.001 Å
• c: 14.0214 ± 0.0007 Å
• α: 90°
• β: 102.463 ± 0.001°
• γ: 90°
• Cell volume: 3057.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes