Information card for entry 4074514

Structure parameters

• Formula: C23 H36 F6 N4 P Rh
• Calculated formula: C23 H36 F6 N4 P Rh
• SMILES: [Rh]1234(=C5N(C=CN5CN5C=1N(C=C5)C(C)(C)C)C(C)(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Interplay of Linker,N-Substituent, and Counterion Effects in the Formation and Geometrical Distortion ofN-Heterocyclic Biscarbene Complexes of Rhodium(I)
• Authors of publication: Leung, Chin Hin; Incarvito, Christopher D.; Crabtree, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 26
• Pages of publication: 6099
• a: 24.919 ± 0.005 Å
• b: 13.643 ± 0.003 Å
• c: 15.498 ± 0.003 Å
• α: 90°
• β: 92.83 ± 0.03°
• γ: 90°
• Cell volume: 5262.4 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No