Information card for entry 4349157

Structure parameters

• Common name: jonyj41
• Chemical name: Tp'Rh(PMe3)(OMe)Br
• Formula: C18 H32 B Br0.86 Cl0.14 N6 O0.86 P Rh
• Calculated formula: C18 H32.0002 B Br0.8537 Cl0.146 N6 O0.8542 P Rh
• Title of publication: Determination of Rhodium-Alkoxide Bond Strengths in Tp'Rh(PMe3)(OR)H.
• Authors of publication: Yuwen, Jing; Jiao, Yunzhe; Brennessel, William W.; Jones, William D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 9482 - 9491
• a: 10.983 ± 0.0007 Å
• b: 16.819 ± 0.001 Å
• c: 13.3838 ± 0.0008 Å
• α: 90°
• β: 111.637 ± 0.001°
• γ: 90°
• Cell volume: 2298.1 ± 0.2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No