Information card for entry 7024972

Structure parameters

• Formula: C27 H37 B N7 O Rh S2
• Calculated formula: C27 H37 B N7 O Rh S2
• SMILES: [Rh]123(Sc4c(S1)cccc4)([n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C)[N]#CC.O1CCCC1
• Title of publication: Heterolytic H2 activation by rhodium thiolato complexes bearing the hydrotris(pyrazolyl)borato ligand and application to catalytic hydrogenation under mild conditions.
• Authors of publication: Seino, Hidetake; Misumi, Yoshiyuki; Hojo, Yoshihiro; Mizobe, Yasushi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 12
• Pages of publication: 3072 - 3082
• a: 10.248 ± 0.002 Å
• b: 19.925 ± 0.004 Å
• c: 15.443 ± 0.003 Å
• α: 90°
• β: 101.751 ± 0.0007°
• γ: 90°
• Cell volume: 3087.2 ± 1.1 ų
• Cell temperature: 293.1 K
• Ambient diffraction temperature: 293.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No