Information card for entry 4133468

Structure parameters

• Common name: KRA-07-2-1
• Formula: C57.21 H72.43 Cl0.43 N P3
• Calculated formula: C57.2143 H72.4286 Cl0.4288 N P3
• 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: 16.4485 ± 0.0006 Å
• b: 32.1049 ± 0.0012 Å
• c: 19.4326 ± 0.0007 Å
• α: 90°
• β: 95.256 ± 0.001°
• γ: 90°
• Cell volume: 10218.8 ± 0.6 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No