Information card for entry 7109992

Structure parameters

• Formula: C15 H25 Cl2 Cu N2
• Calculated formula: C15 H25 Cl2 Cu N2
• SMILES: [Cu](Cl)[Cl-].n1(c[n+](cc1)C1CCCCC1)C1CCCCC1
• Title of publication: A general synthetic route to [Cu(X)(NHC)] (NHC = N-heterocyclic carbene, X = Cl, Br, I) complexes
• Authors of publication: Orlando Santoro; Alba Collado; Alexandra M. Z. Slawin; Steven P. Nolan; Catherine S. J. Cazin
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10483
• a: 23.087 ± 0.012 Å
• b: 9.877 ± 0.004 Å
• c: 16.619 ± 0.008 Å
• α: 90°
• β: 114.446 ± 0.011°
• γ: 90°
• Cell volume: 3450 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No