Information card for entry 7105012

Structure parameters

• Formula: C23 H28 Cl N2 O2 Rh S
• Calculated formula: C23 H28 Cl N2 O2 Rh S
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]12345([NH2]c2ccccc2N1S(=O)(=O)c1ccc(cc1)C)Cl)C)C)C)C
• Title of publication: Synthesis and structure of "16-electron" rhodium(III) catalysts fortransfer hydrogenation of a cyclic imine: mechanistic implications.
• Authors of publication: Blacker, A John; Clot, Eric; Duckett, Simon B; Eisenstein, Odile; Grace, Jake; Nova, Ainara; Perutz, Robin N; Taylor, David J; Whitwood, Adrian C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 6801 - 6803
• a: 11.0617 ± 0.0011 Å
• b: 15.1303 ± 0.0015 Å
• c: 16.26 ± 0.0017 Å
• α: 117.247 ± 0.002°
• β: 104.377 ± 0.002°
• γ: 92.805 ± 0.002°
• Cell volume: 2301.5 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No