Information card for entry 4068212

Structure parameters

• Formula: C65.75 H86 N4 O P4 Rh2
• Calculated formula: C65.824 H86 N4 O P4 Rh2
• Title of publication: Thermal Rearrangement via P‒C Bond Cleavage of a Tridentate Diphosphine‒N-Heterocyclic Carbene Ligand System Coordinated to Rhodium
• Authors of publication: Shaw, Bryan K.; Patrick, Brian O.; Fryzuk, Michael D.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 783
• a: 29.629 ± 0.005 Å
• b: 8.564 ± 0.005 Å
• c: 27.107 ± 0.005 Å
• α: 90 ± 0.005°
• β: 115.799 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6193 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No