Information card for entry 4109675

Structure parameters

• Formula: C40.44 H47.33 B1.6 Co0.8 F3.2 N4.6 Na0.8 O10.21
• Calculated formula: C40.4384 H45.8096 B1.6 Co0.8 F3.2 N4.6032 Na0.8 O10.208
• Title of publication: Electrocatalytic Hydrogen Evolution at Low Overpotentials by Cobalt Macrocyclic Glyoxime and Tetraimine Complexes
• Authors of publication: Xile Hu; Bruce S. Brunschwig; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8988 - 8998
• a: 12.444 ± 0.002 Å
• b: 14.709 ± 0.003 Å
• c: 29.884 ± 0.006 Å
• α: 90°
• β: 93.319 ± 0.005°
• γ: 90°
• Cell volume: 5460.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No