Information card for entry 1550739

Structure parameters

• Chemical name: PBX
• Formula: C23 H21 Cl3 Co2 N2 O6
• Calculated formula: C23 H21 Cl3 Co2 N2 O6
• SMILES: [Co]123(Cl)(Cl)[O]4[Co](Cl)([O]1c1c(C=[N]3c3c([N]2=Cc2c4c(OC)ccc2)cccc3)cccc1OC)([OH]C)[OH]C
• Title of publication: Tracking Pyrolysis Process of a 3-MeOsalophen-ligand based Co2 Complex for Promoted Oxygen Evolution Reaction
• Authors of publication: Pan, Bingxin; Peng, Xu; Wang, Yifan; An, Qi; Zhang, Xu; Zhang, Yuexing; Teets, Thomas S.; Zeng, Ming-Hua
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 14.9719 ± 0.0004 Å
• b: 7.6746 ± 0.0003 Å
• c: 24.3948 ± 0.0006 Å
• α: 90°
• β: 91.371 ± 0.003°
• γ: 90°
• Cell volume: 2802.24 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0972
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.239
• Weighted residual factors for all reflections included in the refinement: 0.2561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No