Information card for entry 7700245

Structure parameters

• Formula: C18 H20 Co N6 O7
• Calculated formula: C18 H20 Co N6 O7
• Title of publication: Cobalt-based molecular electrocatalysis of nitrile reduction: evolving sustainability beyond hydrogen.
• Authors of publication: Child, Simon N.; Raychev, Radoslav; Moss, Nathan; Howchen, Benjamin; Horton, Peter N.; Prior, Christopher C.; Oganesyan, Vasily S.; Fielden, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 26
• Pages of publication: 9576 - 9580
• a: 8.7738 ± 0.001 Å
• b: 18.751 ± 0.002 Å
• c: 12.1853 ± 0.0014 Å
• α: 90°
• β: 101.493 ± 0.012°
• γ: 90°
• Cell volume: 1964.5 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No