Information card for entry 4074560

Structure parameters

• Formula: C27 H41 Cl N3 O2 Rh
• Calculated formula: C27 H32 Cl N3 O2 Rh
• SMILES: [Rh]123(Cl)([N]4=C(OCC4(C)C)c4c2c(cc(c4)C(C)(C)C)C2=[N]1C(CO2)(C)C)[N](=C(CC3)C)C(C)C
• Title of publication: Carbon−Carbon Bond Formation on a Bis(oxazolinyl)phenyl−Rhodium Complex in a Reduction and Oxidative Addition Sequence
• Authors of publication: Ito, Jun-ichi; Miyakawa, Takeshi; Nishiyama, Hisao
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5216
• a: 11.0643 ± 0.001 Å
• b: 11.9701 ± 0.0011 Å
• c: 21.7303 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2878 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No