Information card for entry 4083008

Structure parameters

• Formula: C49 H54 Cl0 F3 N2 O0.5 P2 Rh
• Calculated formula: C47 H50 F3 N2 P2 Rh
• 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: 39.242 ± 0.0003 Å
• b: 10.523 ± 0.0001 Å
• c: 21.699 ± 0.0002 Å
• α: 90°
• β: 100.023 ± 0.001°
• γ: 90°
• Cell volume: 8823.71 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0321
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No