Information card for entry 4346197

Structure parameters

• Formula: C49 H36.39 Cl4 Co2 N8 O1.19
• Calculated formula: C49 H32 Cl4 Co2 N8 O1.193
• Title of publication: Light-Driven Proton Reduction in Aqueous Medium Catalyzed by a Family of Cobalt Complexes with Tetradentate Polypyridine-Type Ligands.
• Authors of publication: Tong, Lianpeng; Kopecky, Andrew; Zong, Ruifa; Gagnon, Kevin J.; Ahlquist, Mårten S G; Thummel, Randolph P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 7873 - 7884
• a: 10.51 ± 0.0004 Å
• b: 28.3361 ± 0.001 Å
• c: 14.4875 ± 0.0005 Å
• α: 90°
• β: 105.128 ± 0.002°
• γ: 90°
• Cell volume: 4165 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No