Information card for entry 7017836

Structure parameters

• Formula: C50 H66 Cl0.25 I1.75 Ir2 N4
• Calculated formula: C50 H66 Cl0.25 I1.75 Ir2 N4
• Title of publication: Stepwise synthesis of a hydrido, N-heterocyclic dicarbene iridium(III) pincer complex featuring mixed NHC/abnormal NHC ligands.
• Authors of publication: Zuo, Weiwei; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 636 - 643
• a: 14.3334 ± 0.0005 Å
• b: 17.8209 ± 0.0008 Å
• c: 19.0291 ± 0.0005 Å
• α: 90°
• β: 106.637 ± 0.002°
• γ: 90°
• Cell volume: 4657.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1249
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No