Information card for entry 7235257

Structure parameters

• Formula: C52 H46 Br2 F6 Ir N4 P
• Calculated formula: C52 H46 Br2 F6 Ir N4 P
• Title of publication: Iridium complex-linked porous organic polymers for recyclable, broad-scope photocatalysis of organic transformations
• Authors of publication: Xu, Zi-Yue; Luo, Yi; Zhang, Dan-Wei; Wang, Hui; Sun, Xing-Wen; Li, Zhan-Ting
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 1
• Pages of publication: 136 - 143
• a: 14.8779 ± 0.0007 Å
• b: 25.5062 ± 0.0007 Å
• c: 15.6343 ± 0.0005 Å
• α: 90°
• β: 104.511 ± 0.002°
• γ: 90°
• Cell volume: 5743.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No