Information card for entry 7114551

Structure parameters

• Formula: C22 H29 I2 N4 O2 Rh
• Calculated formula: C22 H29 I2 N4 O2 Rh
• SMILES: [Rh]12([O]=C(O1)C)(I)(=C1N(C=CN1CCCC)c1c(N3C=2N(C=C3)CCCC)cccc1)I
• Title of publication: Chelating bis-carbene rhodium(iii) complexes in transfer hydrogenation of ketones and iminesElectronic supplementary information (ESI) available: spectroscopic data for the rhodium(iii) complexes. See http://www.rsc.org/suppdata/cc/b1/b109491b/
• Authors of publication: Albrecht, Martin; Crabtree, Robert H.; Mata, Jose; Peris, Eduardo
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 1
• Pages of publication: 32
• a: 8.654 ± 0.003 Å
• b: 17.372 ± 0.006 Å
• c: 18.001 ± 0.006 Å
• α: 90°
• β: 103.26 ± 0.008°
• γ: 90°
• Cell volume: 2634.1 ± 1.6 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No