Information card for entry 4065738

Structure parameters

• Formula: C48 H100 Cl4 P4 Rh4
• Calculated formula: C48 H100 Cl4 P4 Rh4
• SMILES: [Rh]1234([P](CC(C2)C1)(C(C)(C)C)C(C)(C)C)[Cl]1[Rh]256([Cl]4[Rh]478([P](CC(C4)C8)(C(C)(C)C)C(C)(C)C)[Cl]2[Rh]241([P](CC(C2)C4)(C(C)(C)C)C(C)(C)C)[Cl]37)[P](CC(C5)C6)(C(C)(C)C)C(C)(C)C
• 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: 24.6572 ± 0.0002 Å
• b: 11.8047 ± 0.0001 Å
• c: 25.5355 ± 0.0003 Å
• α: 90°
• β: 117.458 ± 0.0005°
• γ: 90°
• Cell volume: 6595.36 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No