Information card for entry 7104384

Structure parameters

• Formula: C25 H28 Cl3 Cu N2
• Calculated formula: C25 H28 Cl3 Cu N2
• SMILES: [Cu](Cl)[Cl-].Clc1n2c(c3[n+]1[C@H](Cc1c3cccc1)C(C)C)c1c(cccc1)C[C@@H]2C(C)C
• Title of publication: In situ generation of novel acyclic diaminocarbene-copper complex.
• Authors of publication: Hirsch-Weil, Dimitri; Snead, David R; Inagaki, Sebastien; Seo, Hwimin; Abboud, Khalil A; Hong, Sukwon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 2475 - 2477
• a: 7.1072 ± 0.0005 Å
• b: 17.443 ± 0.0011 Å
• c: 19.5633 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2425.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No