Information card for entry 4075161

Structure parameters

• Formula: C14 H22 Cl2 I N2 Rh
• Calculated formula: C14 H22 Cl2 I N2 Rh
• SMILES: I[Rh]123(=C4N(N(C=C4)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.ClCCl
• Title of publication: N-Heterocyclic Carbenes: Synthesis, Structures, and Electronic Ligand Properties†,‡
• Authors of publication: Herrmann, Wolfgang A.; Schütz, Jan; Frey, Guido D.; Herdtweck, Eberhardt
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2437
• a: 24.9166 ± 0.0002 Å
• b: 7.1008 ± 0.0001 Å
• c: 22.5135 ± 0.0002 Å
• α: 90°
• β: 116.893 ± 0.0004°
• γ: 90°
• Cell volume: 3552.49 ± 0.07 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0495
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No