Information card for entry 4133470

Structure parameters

• Common name: KRA-22-2-4
• Formula: C50 H55 Cl3 N P3 Ru
• Calculated formula: C50 H55 Cl3 N P3 Ru
• Title of publication: Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.
• Authors of publication: Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 334 - 341
• a: 10.4191 ± 0.0004 Å
• b: 12.8274 ± 0.0005 Å
• c: 18.6751 ± 0.0006 Å
• α: 97.428 ± 0.001°
• β: 98.167 ± 0.001°
• γ: 109.249 ± 0.001°
• Cell volume: 2290.7 ± 0.15 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No