Information card for entry 4074561

Structure parameters

• Formula: C23 H34 Cl N2 O5 Rh
• Calculated formula: C23 H34 Cl N2 O5 Rh
• SMILES: [Rh]12(Cl)([N]3=C(OCC3(C)C)c3c2c(cc(c3)C(C)(C)C)C2=[N]1C(CO2)(C)C)([OH2])CC(=O)OC
• 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: 10.064 ± 0.004 Å
• b: 11.05 ± 0.004 Å
• c: 23.182 ± 0.009 Å
• α: 90°
• β: 100.009 ± 0.009°
• γ: 90°
• Cell volume: 2538.8 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No