Information card for entry 4063790

Structure parameters

• Common name: IIIA042
• Chemical name: IIIA042
• Formula: C131 H114 B2 F48 P2 Rh2
• Calculated formula: C131 H114 B2 F48 P2 Rh2
• SMILES: c12ccccc1[C]13C=CC=C[CH]=1[Rh]1453([CH]3=[CH]5C5[CH]4=[CH]1C3C5)[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.CCCCC
• 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: 43.1899 ± 0.0016 Å
• b: 12.6185 ± 0.0005 Å
• c: 25.9395 ± 0.001 Å
• α: 90°
• β: 117.385 ± 0.001°
• γ: 90°
• Cell volume: 12552.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No