Information card for entry 4133299

Structure parameters

• Formula: C68 H76 B F24 P2 Rh
• Calculated formula: C68 H76 B F24 P2 Rh
• Title of publication: Modulation of σ-Alkane Interactions in [Rh(L₂)(alkane)]⁺ Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η²,η²-σ-Alkane Rh(I), η¹-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.
• Authors of publication: Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 44
• Pages of publication: 14958 - 14970
• a: 19.707 ± 0.0004 Å
• b: 34.3875 ± 0.0008 Å
• c: 20.3368 ± 0.0004 Å
• α: 90°
• β: 94.0465 ± 0.0018°
• γ: 90°
• Cell volume: 13747.4 ± 0.5 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.117
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.2329
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No