Information card for entry 4519245

Structure parameters

• Formula: C25 H18 Cl2 Co N4 O6
• Calculated formula: C25 H18 Cl2 Co N4 O6
• 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: 9.2834 ± 0.0006 Å
• b: 9.3346 ± 0.0006 Å
• c: 15.0022 ± 0.001 Å
• α: 91.257 ± 0.002°
• β: 105.396 ± 0.002°
• γ: 99.442 ± 0.002°
• Cell volume: 1233.47 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No