Information card for entry 7039769

Structure parameters

• Formula: C70 H84 Cl4 Co2 N10 O4 S8
• Calculated formula: C70 H84 Cl4 Co2 N10 O4 S8
• Title of publication: A cobalt complex with a bioinspired molybdopterin-like ligand: a catalyst for hydrogen evolution.
• Authors of publication: Fogeron, Thibault; Porcher, Jean-Philippe; Gomez-Mingot, Maria; Todorova, Tanya K.; Chamoreau, Lise-Marie; Mellot-Draznieks, Caroline; Li, Yun; Fontecave, Marc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14754 - 14763
• a: 20.2139 ± 0.0005 Å
• b: 17.4564 ± 0.0006 Å
• c: 23.2027 ± 0.0006 Å
• α: 90°
• β: 112.14 ± 0.002°
• γ: 90°
• Cell volume: 7583.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.1188
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No