Information card for entry 4083010

Structure parameters

• Formula: C53 H69 Cl F6 N4 P3 Rh
• Calculated formula: C58 H69 Cl F6 N4 P3 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: 13.45 ± 0.0002 Å
• b: 15.592 ± 0.0002 Å
• c: 16.023 ± 0.0003 Å
• α: 109.047 ± 0.001°
• β: 109.266 ± 0.001°
• γ: 102.719 ± 0.001°
• Cell volume: 2788.66 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No