Information card for entry 7124945

Structure parameters

• Formula: C25 H39 Co N6 O4
• Calculated formula: C25 H39 Co N6 O4
• Title of publication: Electrocatalytic water oxidation by a molecular cobalt complex through a high valent cobalt oxo intermediate.
• Authors of publication: Das, Debasree; Pattanayak, Santanu; Singh, Kundan K.; Garai, Bikash; Sen Gupta, Sayam
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 79
• Pages of publication: 11787 - 11790
• a: 14.5396 ± 0.0011 Å
• b: 9.6307 ± 0.0006 Å
• c: 20.8295 ± 0.0015 Å
• α: 90°
• β: 109.316 ± 0.008°
• γ: 90°
• Cell volume: 2752.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1221
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No