Information card for entry 4083007

Structure parameters

• Formula: C44 H47 F2 N2 P2 Rh
• Calculated formula: C44 H47 F2 N2 P2 Rh
• SMILES: [Rh]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([F][H]F)=C1N(CCCN1CC)CC
• Title of publication: Rh‒FHF and Rh‒F Complexes Containing SmallN-Alkyl Substituted Six-Membered Ring N-Heterocyclic Carbenes
• Authors of publication: Bramananthan, Nicola; Carmona, María; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 1986
• a: 9.429 ± 0.0002 Å
• b: 18.038 ± 0.0005 Å
• c: 22.76 ± 0.0005 Å
• α: 90°
• β: 95.474 ± 0.001°
• γ: 90°
• Cell volume: 3853.37 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No