Information card for entry 7117626

Structure parameters

• Formula: C27 H21 B0 Cl Co F0 N4 O2
• Calculated formula: C27 H21 Cl Co N5 O2
• Title of publication: Water oxidation catalysed by a mononuclear Co(II) polypyridine complex; possible reaction intermediates and the role of the chloride ligand.
• Authors of publication: Das, Biswanath; Orthaber, Andreas; Ott, Sascha; Thapper, Anders
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 66
• Pages of publication: 13074 - 13077
• a: 8.6043 ± 0.001 Å
• b: 16.622 ± 0.002 Å
• c: 21.331 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3050.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 0.56
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No