Information card for entry 7717041

Structure parameters

• Formula: C35 H49 Cl2 N2 O3 Rh
• Calculated formula: C35 H49 Cl2 N2 O3 Rh
• 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
• a: 10.3682 ± 0.0001 Å
• b: 23.6204 ± 0.0001 Å
• c: 14.9363 ± 0.0001 Å
• α: 90°
• β: 105.298 ± 0.001°
• γ: 90°
• Cell volume: 3528.3 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No