Information card for entry 4519246

Structure parameters

• Formula: C81 H57 Cl2 Co4 N24 O24
• Calculated formula: C81 H57 Cl2 Co4 N24 O24
• Title of publication: Immobilization of “Capping Arene” Cobalt(II) Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation
• Authors of publication: Liu, Chang; Geer, Ana M.; Webber, Christopher; Musgrave, Charles B.; Gu, Shunyan; Johnson, Grayson; Dickie, Diane A.; Chabbra, Sonia; Schnegg, Alexander; Zhou, Hua; Sun, Cheng-Jun; Hwang, Sooyeon; Goddard, William A.; Zhang, Sen; Gunnoe, T. Brent
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 15068 - 15082
• a: 24.944 ± 0.0008 Å
• b: 10.3178 ± 0.0004 Å
• c: 33.2933 ± 0.001 Å
• α: 90°
• β: 93.102 ± 0.002°
• γ: 90°
• Cell volume: 8556 ± 0.5 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: 0.1458
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No