Information card for entry 1515829

Structure parameters

• Formula: C78.5 H79 Co N4 O3.5
• Calculated formula: C78.5 H79 Co N4 O3.5
• Title of publication: Oxygen reduction reactivity of cobalt(ii) hangman porphyrins
• Authors of publication: McGuire Jr., Robert; Dogutan, Dilek K.; Teets, Thomas S.; Suntivich, Jin; Shao-Horn, Yang; Nocera, Daniel G.
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 411
• a: 13.6816 ± 0.0008 Å
• b: 14.9382 ± 0.0008 Å
• c: 19.8125 ± 0.0012 Å
• α: 100.854 ± 0.004°
• β: 103.727 ± 0.004°
• γ: 109.497 ± 0.004°
• Cell volume: 3546.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1593
• Residual factor for significantly intense reflections: 0.1232
• Weighted residual factors for significantly intense reflections: 0.333
• Weighted residual factors for all reflections included in the refinement: 0.3578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No