Information card for entry 4085580

Structure parameters

• Formula: C19 H23 B Cl N8 O Ru
• Calculated formula: C19 H23 B Cl N8 O Ru
• SMILES: [Ru]123(Cl)([N](=O)c4c(N3)ccc(c4)C(C)(C)C)[n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1
• Title of publication: Ortho−Nitrosation of Anilines on a Ruthenium Hydridotris(pyrazolyl)borato Complex and Oxidation of the Resulting Coordinated Amine Groups
• Authors of publication: Arikawa, Yasuhiro; Yamaguchi, Soseki; Otsubo, Yuji; Onishi, Masayoshi; Umakoshi, Keisuke
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1056
• a: 7.9847 ± 0.0019 Å
• b: 13.189 ± 0.004 Å
• c: 20.956 ± 0.006 Å
• α: 90°
• β: 91.67 ± 0.004°
• γ: 90°
• Cell volume: 2205.9 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No