Information card for entry 4517721

Structure parameters

• Formula: C19 H31 Ir O3 P2
• Calculated formula: C19 H31 Ir O3 P2
• 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: 14.2131 ± 0.0003 Å
• b: 14.3576 ± 0.0003 Å
• c: 17.1807 ± 0.0004 Å
• α: 108.37 ± 0.001°
• β: 97.894 ± 0.001°
• γ: 91.083 ± 0.001°
• Cell volume: 3288.59 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.99 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: 0.046
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No