Information card for entry 7717040

Structure parameters

• Formula: C33 H50 Cl Cu N2 O
• Calculated formula: C29 H42 Cl Cu N2
• Title of publication: A simply accessible organometallic system to gauge electronic properties of N-heterocyclic carbenes.
• Authors of publication: Bru, Francis; Charman, Rex S. C.; Bourda, Laurens; Van Hecke, Kristof; Grimaud, Laurence; Liptrot, David J.; Cazin, Catherine S. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 38
• Pages of publication: 16030 - 16037
• a: 17.885 ± 0.0001 Å
• b: 17.3948 ± 0.0001 Å
• c: 20.9436 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6515.68 ± 0.08 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No