Information card for entry 7105011

Structure parameters

• Formula: C16 H21 N2 Rh
• Calculated formula: C16 H21 N2 Rh
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]12345Nc2c(cccc2)N1)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: 20.8896 ± 0.0006 Å
• b: 13.4599 ± 0.0004 Å
• c: 21.1659 ± 0.0006 Å
• α: 90°
• β: 95.484 ± 0.001°
• γ: 90°
• Cell volume: 5924 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No