Information card for entry 1548425

Structure parameters

• Formula: C4.53 H3.64 Cl0.18 Co0.09 N0.53
• Calculated formula: C4.53333 H3.55556 Cl0.177867 Co0.0888889 N0.533333
• Title of publication: Electronic Structure of Cobalt-Corrole-Pyridine Complexes: Noninnocent Five-Coordinate Co(II) Corrole-Radical States.
• Authors of publication: Ganguly, Sumit; Conradie, Jeanet; Bendix, Jesper; Gagnon, Kevin J.; McCormick, Laura J.; Ghosh, Abhik
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2017
• Journal volume: 121
• Journal issue: 50
• Pages of publication: 9589 - 9598
• a: 18.1623 ± 0.0007 Å
• b: 9.7531 ± 0.0004 Å
• c: 24.6826 ± 0.0009 Å
• α: 90°
• β: 109.337 ± 0.002°
• γ: 90°
• Cell volume: 4125.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.09
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No