Information card for entry 4083098

Structure parameters

• Formula: C66 H53 B F24 P Rh
• Calculated formula: C66 H53 B F24 P Rh
• SMILES: [Rh]1234([P](C)(C)C)(c5c(C(=Cc6ccccc6)c6ccccc6)cc(cc5)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Reversibility of 1,4-Metal Migration in Cp*RhIIIand Cp*IrIIIComplexes
• Authors of publication: Ikeda, Yousuke; Takano, Koichi; Waragai, Maiko; Kodama, Shintaro; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2142
• a: 12.693 ± 0.002 Å
• b: 30.806 ± 0.005 Å
• c: 16.408 ± 0.003 Å
• α: 90°
• β: 99.021 ± 0.003°
• γ: 90°
• Cell volume: 6336.5 ± 1.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No