Information card for entry 4065741

Structure parameters

• Formula: C53 H49 B F24 P Rh
• Calculated formula: C53 H49 B F24 P Rh
• SMILES: [Rh]1234567([P](CC(C6)C7)(C(C)(C)C)C(C)(C)C)[c]6([cH]1[c]2([cH]3[c]4([cH]56)C)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: 13.0562 ± 0.0002 Å
• b: 14.1458 ± 0.0002 Å
• c: 16.835 ± 0.0003 Å
• α: 71.5803 ± 0.0006°
• β: 67.3737 ± 0.0007°
• γ: 83.7345 ± 0.0007°
• Cell volume: 2722.65 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.062
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No