Information card for entry 4083006

Structure parameters

• Formula: C42 H43 F2 N2 P2 Rh
• Calculated formula: C42 H43 F2 N2 P2 Rh
• SMILES: [Rh](=C1N(C)CCCN1C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)F.F
• 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: 12.446 ± 0.0003 Å
• b: 17.802 ± 0.0004 Å
• c: 17.021 ± 0.0003 Å
• α: 90°
• β: 98.68 ± 0.001°
• γ: 90°
• Cell volume: 3728.04 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No