Information card for entry 4064708

Structure parameters

• Chemical name: Rhodium(I)
• Formula: C25 H36 Cl O3 P2 Rh
• Calculated formula: C25 H36 Cl O3 P2 Rh
• SMILES: [Rh]12(Cl)([P](Oc3ccccc3C1=O)(C(C)C)C(C)C)[P](Oc1c2cccc1)(C(C)C)C(C)C
• Title of publication: Activation of an Unstrained C(sp2)‒C(sp2) Single Bond Using Chelate-Bisphosphinite Rhodium(I) Complexes
• Authors of publication: Obenhuber, Andreas; Ruhland, Klaus
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4039
• a: 15.1685 ± 0.0001 Å
• b: 11.2434 ± 0.0001 Å
• c: 15.2618 ± 0.0002 Å
• α: 90°
• β: 95.424 ± 0.001°
• γ: 90°
• Cell volume: 2591.18 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No