Information card for entry 7130780

Structure parameters

• Formula: C48 H42 Cl2 N2 P2 Ru
• Calculated formula: C48 H42 Cl2 N2 P2 Ru
• Title of publication: Metal-mediated rearrangement of 1,2-diphenylhydrazine to ortho-semidine upon reaction with dichlorotris(triphenylphosphine)ruthenium(ii)
• Authors of publication: Cena, Nicolas; Peloquin, Andrew J.; Boatz, Jerry A.; Costa, Sarah; Gralinski, Steven R.; Balch, Alan L.; Ghiassi, Kamran B.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.8722 ± 0.0009 Å
• b: 17.1728 ± 0.0014 Å
• c: 22.0695 ± 0.0018 Å
• α: 90°
• β: 90.648 ± 0.001°
• γ: 90°
• Cell volume: 4120.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.029
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No