Information card for entry 4114780

Structure parameters

• Formula: C47 H41 B Cl2 F24 P Rh
• Calculated formula: C49 H41 B Cl4 F39 P Rh
• Title of publication: Synthesis and Investigation of [Cp*(PMe3)Rh(H)(H2)]+ and Its Partially Deuterated and Tritiated Isotopomers: Evidence for a Hydride/Dihydrogen Structure
• Authors of publication: Felicia L. Taw; Heather Mellows; Peter S. White; Frederick J. Hollander; Robert G. Bergman; Maurice Brookhart; D. Michael Heinekey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 5100 - 5108
• a: 12.1814 ± 0.0002 Å
• b: 19.197 ± 0.0004 Å
• c: 24.7379 ± 0.0005 Å
• α: 90°
• β: 100.841 ± 0.001°
• γ: 90°
• Cell volume: 5681.62 ± 0.19 ų
• Cell temperature: 159.2 K
• Ambient diffraction temperature: 159.2 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 all reflections: 0
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0
• Weighted residual factors for significantly intense reflections: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.622
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No