Information card for entry 7116167

Structure parameters

• Formula: C23 H36 F N2 Rh
• Calculated formula: C23 H36 F N2 Rh
• SMILES: [Rh]123(F)(=C4N(C=CN4C4CCCCC4)C4CCCCC4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)
• Authors of publication: Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 62
• a: 10.995 ± 0.003 Å
• b: 16.868 ± 0.004 Å
• c: 11.682 ± 0.003 Å
• α: 90°
• β: 98.162 ± 0.007°
• γ: 90°
• Cell volume: 2144.6 ± 1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No