Information card for entry 4065744

Structure parameters

• Formula: C56 H64 B F24 P2 Rh
• Calculated formula: C56 H64 B F24 P2 Rh
• SMILES: [Rh]12([P](CC[CH]1=[CH2]2)(C(C)(C)C)C(C)(C)C)[P](CC(C)C)(CC(C)C)CC(C)C.[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)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: C−C Bond Activation of a Cyclopropyl Phosphine: Isolation and Reactivity of a Tetrameric Rhodacyclobutane
• Authors of publication: Chaplin, Adrian B.; Weller, Andrew S.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 2332
• a: 12.6604 ± 0.0001 Å
• b: 24.8159 ± 0.0002 Å
• c: 19.6362 ± 0.0002 Å
• α: 90°
• β: 95.2368 ± 0.0004°
• γ: 90°
• Cell volume: 6143.54 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0627
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No