Information card for entry 4076265

Structure parameters

• Formula: C27 H36 Cl Cu N2
• Calculated formula: C27 H36 Cl Cu N2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C(=[Cu]Cl)N(c2c(cccc2C(C)C)C(C)C)C=C1
• Title of publication: (NHC)CuI(NHC = N-Heterocyclic Carbene) Complexes as Efficient Catalysts for the Reduction of Carbonyl Compounds
• Authors of publication: Kaur, Harneet; Zinn, Fabiano Kauer; Stevens, Edwin D.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1157
• a: 10.6855 ± 0.001 Å
• b: 12.7453 ± 0.0012 Å
• c: 19.1833 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2612.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No