Information card for entry 7047276

Structure parameters

• Formula: C23 H29 Cl Ir N
• Calculated formula: C23 H29 Cl Ir N
• Title of publication: Challenges in cyclometalation: steric effects leading to competing pathways and η¹,η²-cyclometalated iridium(iii) complexes.
• Authors of publication: Chen, Houguang Jeremy; Teo, Ronald Hong Xiang; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 13046 - 13051
• a: 7.8309 ± 0.0009 Å
• b: 18.449 ± 0.002 Å
• c: 28.858 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4169.2 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No