Information card for entry 1546507

Structure parameters

• Formula: C64 H72 B F24 P2 Rh
• Calculated formula: C64 H72 B F24 P2 Rh
• SMILES: [Rh]123([P](C4CCCCC4)(CC[P]1(C1CCCCC1)C1CCCCC1)C1CCCCC1)([CH2]=[CH]2C)[CH2]=[CH]3C.FC(F)(F)c1cc(cc(c1)[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)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: 13.4908 ± 0.0004 Å
• b: 14.2693 ± 0.0004 Å
• c: 18.1051 ± 0.0004 Å
• α: 98.549 ± 0.002°
• β: 102.097 ± 0.002°
• γ: 94.411 ± 0.002°
• Cell volume: 3348.94 ± 0.16 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.061
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No