Information card for entry 4132616

Structure parameters

• Formula: C54 H57 Co2 F30 N10 O6 P5
• Calculated formula: C54 H57 Co2 F30 N10 O6 P5
• 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: 14.6956 ± 0.0019 Å
• b: 17.882 ± 0.003 Å
• c: 25.751 ± 0.003 Å
• α: 90°
• β: 100.363 ± 0.004°
• γ: 90°
• Cell volume: 6656.6 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No