Information card for entry 4075165

Structure parameters

• Formula: C12 H19 I Ir N3
• Calculated formula: C12 H19 I Ir N3
• 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: 7.3634 ± 0.0002 Å
• b: 16.0249 ± 0.0004 Å
• c: 11.7962 ± 0.0003 Å
• α: 90°
• β: 93.2966 ± 0.001°
• γ: 90°
• Cell volume: 1389.62 ± 0.06 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No