Information card for entry 4132615

Structure parameters

• Formula: C27 H23 Cl Co F12 N5 P2
• Calculated formula: C27 H23 Cl Co F12 N5 P2
• Title of publication: Electronic and Steric Tuning of Catalytic H₂ Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands.
• Authors of publication: Wang, Ping; Liang, Guangchao; Reddy, M. Ramana; Long, Melissa; Driskill, Kandria; Lyons, Christian; Donnadieu, Bruno; Bollinger, John C.; Webster, Charles Edwin; Zhao, Xuan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 29
• Pages of publication: 9219 - 9229
• a: 22.0129 ± 0.0015 Å
• b: 17.2789 ± 0.0012 Å
• c: 17.2384 ± 0.0011 Å
• α: 90°
• β: 115.933 ± 0.004°
• γ: 90°
• Cell volume: 5896.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0877
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No