Information card for entry 4065739

Structure parameters

• Formula: C17 H30 P Rh
• Calculated formula: C17 H30 P Rh
• SMILES: [Rh]123456([P](CC(C5)C6)(C(C)(C)C)C(C)(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 8.8535 ± 0.0004 Å
• b: 10.5003 ± 0.0003 Å
• c: 12.5616 ± 0.0005 Å
• α: 66.733 ± 0.0016°
• β: 77.5152 ± 0.0017°
• γ: 89.7025 ± 0.0019°
• Cell volume: 1043.25 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No