Information card for entry 4517711

Structure parameters

• Formula: C23 H42 Cl Ir N P2 S
• Calculated formula: C23 H42 Cl Ir N P2 S
• Title of publication: N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects
• Authors of publication: Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 6475 - 6487
• a: 12.2672 ± 0.0002 Å
• b: 15.04 ± 0.0003 Å
• c: 28.7115 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5297.23 ± 0.18 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No