Information card for entry 4063793

Structure parameters

• Common name: IIIA0231
• Chemical name: IIIA0231
• Formula: C66 H61 B Cl4 F24 P Rh
• Calculated formula: C66 H61 B Cl4 F24 P Rh
• SMILES: c12ccccc1[c]13[cH]4[cH]5[cH]6[cH]7[cH]1[Rh]134567([CH]3=[CH]1CCCCCC3)[P]2(C1CCCCC1)C1CCCCC1.c1(cc(cc(c1)C(F)(F)F)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.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis, Characterization, and Reactivity of Arene-Stabilized Rhodium Complexes
• Authors of publication: O’Connor, Abby R.; Kaminsky, Werner; Heinekey, D. Michael; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2105
• a: 13.1012 ± 0.0005 Å
• b: 13.1289 ± 0.0005 Å
• c: 20.0938 ± 0.0008 Å
• α: 101.957 ± 0.002°
• β: 94.77 ± 0.002°
• γ: 95.252 ± 0.002°
• Cell volume: 3348.5 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.148
• Residual factor for significantly intense reflections: 0.135
• Weighted residual factors for significantly intense reflections: 0.3351
• Weighted residual factors for all reflections included in the refinement: 0.3462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No