Information card for entry 4084702

Structure parameters

• Formula: C44 H40 Cl P2 Rh Si
• Calculated formula: C44 H40 Cl P2 Rh Si
• SMILES: [Rh]12345([P](c6c([Si]2(Cl)c2ccccc2[P]1(c1ccccc1)c1ccccc1)cccc6)(c1ccccc1)c1ccccc1)[CH]1=[CH]3CC[CH]4=[CH]5CC1
• Title of publication: Formation of Chlorosilyl Pincer-Type Rhodium Complexes by Multiple Si‒H Activations of Bis(phosphine)/Dihydrosilyl Ligands
• Authors of publication: Whited, Matthew T.; Deetz, Alexander M.; Boerma, Joseph W.; DeRosha, Daniel E.; Janzen, Daron E.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5070
• a: 14.946 ± 0.003 Å
• b: 15.964 ± 0.002 Å
• c: 15.372 ± 0.003 Å
• α: 90°
• β: 98.558 ± 0.003°
• γ: 90°
• Cell volume: 3626.9 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No