Information card for entry 4114779

Structure parameters

• Formula: C58 H60 B F24 P2 Rh2
• Calculated formula: C58 H60 B F30 P2 Rh2
• 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: 12.6439 ± 0.0004 Å
• b: 13.4981 ± 0.0004 Å
• c: 18.8481 ± 0.0005 Å
• α: 90.833 ± 0.001°
• β: 95.243 ± 0.001°
• γ: 90.721 ± 0.001°
• Cell volume: 3202.67 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.135
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for significantly intense reflections: 3.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No