Information card for entry 7049215

Structure parameters

• Formula: C18 H22 Cl Ir N2
• Calculated formula: C18 H22 Cl Ir N2
• Title of publication: Simple and reactive Ir(i) N-heterocyclic carbene complexes for alkyne activation.
• Authors of publication: Gatus, Mark R. D.; Pernik, Indrek; Tompsett, Joshua A.; Binding, Samantha C.; Peterson, Matthew B.; Messerle, Barbara A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 13
• Pages of publication: 4333 - 4340
• a: 10.9491 ± 0.0003 Å
• b: 13.1008 ± 0.0004 Å
• c: 13.1664 ± 0.0004 Å
• α: 86.173 ± 0.001°
• β: 69.332 ± 0.001°
• γ: 76.042 ± 0.001°
• Cell volume: 1714.54 ± 0.09 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171.34 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: 0.0198
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No