Information card for entry 7116709

Structure parameters

• Common name: [Cu(Cl)(BAC)]
• Chemical name: bis(diisopropylamino)cyclopropenylidene copper chloride
• Formula: C15 H28 Cl Cu N2
• Calculated formula: C15 H28 Cl Cu N2
• SMILES: [Cu](Cl)=C1C(=C1N(C(C)C)C(C)C)N(C(C)C)C(C)C
• Title of publication: A simple access to transition metal cyclopropenylidene complexes
• Authors of publication: Yannick D. Bidal; Mathieu Lesieur; Mohand Melaimi; David B. Cordes; Alexandra M. Z. Slawin; Guy Bertrand; Catherine S. J. Cazin
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4778
• a: 6.043 ± 0.003 Å
• b: 18.944 ± 0.007 Å
• c: 15.635 ± 0.006 Å
• α: 90°
• β: 100.45 ± 0.011°
• γ: 90°
• Cell volume: 1760.2 ± 1.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No