Information card for entry 4063876

Structure parameters

• Common name: jontt23
• Formula: C25.5 H39 B N8 P Rh
• Calculated formula: C25.5 H39 B N8 P Rh
• Title of publication: C−H and C−CN Bond Activation of Acetonitrile and Succinonitrile by [Tp′Rh(PR3)]
• Authors of publication: Tanabe, Taro; Evans, Meagan E.; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 834
• a: 9.1906 ± 0.0008 Å
• b: 22.113 ± 0.0018 Å
• c: 14.2839 ± 0.0011 Å
• α: 90°
• β: 105.078 ± 0.002°
• γ: 90°
• Cell volume: 2803 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1187
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No