Information card for entry 4085576

Structure parameters

• Formula: C19 H24 B Cl N8 O Ru
• Calculated formula: C19 H24 B Cl N8 O Ru
• SMILES: [Ru]123(Cl)([N](=O)c4c([NH2]3)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: 8.1181 ± 0.0004 Å
• b: 13.1124 ± 0.0005 Å
• c: 21.1016 ± 0.001 Å
• α: 90°
• β: 91.13 ± 0.0009°
• γ: 90°
• Cell volume: 2245.78 ± 0.18 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No