Information card for entry 7040962

Structure parameters

• Formula: C48 H34 Cl5 F6 N O P2 Rh
• Calculated formula: C46 H30 Cl F6 N O P2 Rh
• SMILES: C1(c2cccc3c2[n](ccc3)[Rh]1([P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)([P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)Cl)=O
• Title of publication: A pentacoordinated norbornenyl-acyl-rhodium(iii) complex as a likely intermediate in the catalytic hydroacylation of norbornadiene.
• Authors of publication: Almenara, N.; Ibarlucea, L.; Mendicute-Fierro, C; Seco, J. M.; Rodríguez-Diéguez, A; Garralda, M. A.; Huertos, M. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18502 - 18509
• a: 48.335 ± 0.004 Å
• b: 10.4309 ± 0.0008 Å
• c: 15.6534 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7892.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No