Information card for entry 1563374

Structure parameters

• Chemical name: [(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate
• Formula: C34 H41 B F4 N2 P Rh
• Calculated formula: C34 H41 B F4 N2 P Rh
• SMILES: [Rh]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)(=C4N(C=CN4CC)C(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.[B](F)(F)(F)[F-]
• Title of publication: [(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate
• Authors of publication: Rood, Jeffrey A.; Subedi, Chhatra B.; Risell, John P.; Astashkin, Andrei V.; Rajaseelan, Edward
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 6
• Pages of publication: x210597
• a: 17.4184 ± 0.0015 Å
• b: 10.2177 ± 0.0008 Å
• c: 18.5136 ± 0.0016 Å
• α: 90°
• β: 109.164 ± 0.003°
• γ: 90°
• Cell volume: 3112.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0164
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes