Information card for entry 4066724

Structure parameters

• Formula: C34 H42 F6 N4 P Rh
• Calculated formula: C34 H42 F6 N4 P Rh
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[Rh]1234=C2N(C=CN2c2c(cc(cc2C)C)C)CCN2C=1N(C=C2)c1c(cc(cc1C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Impact of Ligand Modification on Structures and Catalytic Activities of Chelating Bis-Carbene Rhodium(I) Complexes†
• Authors of publication: Riederer, Stephanie K. U.; Gigler, Peter; Högerl, Manuel P.; Herdtweck, Eberhardt; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5681
• a: 17.5 ± 0.003 Å
• b: 10.0278 ± 0.0014 Å
• c: 19.457 ± 0.003 Å
• α: 90°
• β: 102.209 ± 0.007°
• γ: 90°
• Cell volume: 3337.2 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No