Information card for entry 7107734

Structure parameters

• Formula: C48 H38 N4 O2 P2 Ru
• Calculated formula: C48 H38 N4 O2 P2 Ru
• Title of publication: Reversible formal insertion of CO2 into a remote C-H bond of a ligand in a Ru(II) complex at room temperature
• Authors of publication: Vincent T. Annibale; Datong Song
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5416
• a: 24.6475 ± 0.0013 Å
• b: 9.0725 ± 0.0004 Å
• c: 21.7223 ± 0.001 Å
• α: 90°
• β: 114.311 ± 0.002°
• γ: 90°
• Cell volume: 4426.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1052
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No