Information card for entry 4101617

Structure parameters

• Formula: C38 H10 Cl3 Co F15 N4
• Calculated formula: C38 H10 Cl3 Co F15 N4
• Title of publication: Hangman corroles: efficient synthesis and oxygen reaction chemistry.
• Authors of publication: Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Journal issue: 1
• Pages of publication: 131 - 140
• a: 14.185 ± 0.003 Å
• b: 22.009 ± 0.004 Å
• c: 12.008 ± 0.002 Å
• α: 90°
• β: 110.853 ± 0.003°
• γ: 90°
• Cell volume: 3503.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0812
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No