Information card for entry 4112503

Structure parameters

• Formula: C22 H40 Cl N4 Rh
• Calculated formula: C22 H40 Cl N4 Rh
• SMILES: [RhH]1(Cl)(=C2N(C=CN2C(C)(C)C)C(C1)(C)C)C1=N(C=CN1C(C)(C)C)C(C)(C)C
• Title of publication: Double C-H Activation in a Rh-NHC Complex Leading to the Isolation of a 14-Electron Rh(III) Complex
• Authors of publication: Reto Dorta; Edwin D. Stevens; Steven P. Nolan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5054 - 5055
• a: 9.4003 ± 0.0006 Å
• b: 11.846 ± 0.0008 Å
• c: 12.6971 ± 0.0008 Å
• α: 65.253 ± 0.001°
• β: 77.404 ± 0.001°
• γ: 73.078 ± 0.001°
• Cell volume: 1220.9 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No