Information card for entry 1546504

Structure parameters

• Formula: C61 H66 B F24 P2 Rh
• Calculated formula: C61 H66 B F24 P2 Rh
• SMILES: [Rh]12([P](C4CCCCC4)(C4CCCCC4)CC[P]1(C1CCCCC1)C1CCCCC1)[CH](C)=[CH2]2.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.
• Authors of publication: Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 12.7894 ± 0.0007 Å
• b: 12.8961 ± 0.0007 Å
• c: 19.8711 ± 0.0008 Å
• α: 91.256 ± 0.004°
• β: 90.745 ± 0.004°
• γ: 96.863 ± 0.004°
• Cell volume: 3252.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1525
• Residual factor for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections: 0.3806
• Weighted residual factors for significantly intense reflections: 0.3264
• Weighted residual factors for all reflections included in the refinement: 0.3806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9616
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No