Information card for entry 4075162

Structure parameters

• Formula: C17 H24 I N4 O2 Rh
• Calculated formula: C17 H24 I N4 O2 Rh
• SMILES: I[Rh]123(=C4N(C5=C(N(C(=O)N(C)C5=O)C)N4C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• 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: 11.5467 ± 0.0001 Å
• b: 12.0211 ± 0.0001 Å
• c: 13.7354 ± 0.0001 Å
• α: 90°
• β: 95.6384 ± 0.0003°
• γ: 90°
• Cell volume: 1897.3 ± 0.03 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: 0.0245
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No