Information card for entry 4517325

Structure parameters

• Formula: C43 H8 F20 N4 Ni O2
• Calculated formula: C43 H8 F20 N4 Ni O2
• Title of publication: Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction
• Authors of publication: Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 2177 - 2188
• a: 15.4016 ± 0.0001 Å
• b: 15.4016 ± 0.0001 Å
• c: 15.4334 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3660.95 ± 0.1 ų
• Cell temperature: 180.1 ± 0.2 K
• Ambient diffraction temperature: 180.1 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No