Information card for entry 4119586

Structure parameters

• Formula: C28 H29 Cl5 N4 O2 Ru
• Calculated formula: C28 H29 Cl5 N4 O2 Ru
• SMILES: c12ccccc1C=[N]1[C@@H]3CCCC[C@H]3[N]3=Cc4ccccc4O[Ru]13(N=Nc1ccccc1)(O2)Cl.C(Cl)Cl.C(Cl)Cl.c12ccccc1C=[N]1[C@H]3CCCC[C@@H]3[N]3=Cc4ccccc4O[Ru]13(N=Nc1ccccc1)(O2)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: C-N Bond Cleavage of Anilines by a (Salen)ruthenium(VI) Nitrido Complex
• Authors of publication: Wai-Lun Man; Jianhui Xie; Yi Pan; William W. Y. Lam; Hoi-Ki Kwong; Kwok-Wa Ip; Shek-Man Yiu; Kai-Chung Lau; Tai-Chu Lau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 5533 - 5536
• a: 15.9922 ± 0.0005 Å
• b: 18.3461 ± 0.0006 Å
• c: 10.4644 ± 0.0003 Å
• α: 90°
• β: 97.504 ± 0.003°
• γ: 90°
• Cell volume: 3043.9 ± 0.16 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CUKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No