Information card for entry 4085577

Structure parameters

• Formula: C17 H19 B Cl N9 O Ru
• Calculated formula: C17 H19 B Cl N9 O Ru
• SMILES: [Ru]123(Cl)([N](=O)c4c([NH2]3)cccc4)[n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1.N#CC
• 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: 8.479 ± 0.002 Å
• b: 11.139 ± 0.003 Å
• c: 11.453 ± 0.003 Å
• α: 100.752 ± 0.004°
• β: 103.497 ± 0.004°
• γ: 92.977 ± 0.003°
• Cell volume: 1028.2 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No