Information card for entry 7710786

Structure parameters

• Formula: C49.81 H50.71 Cl2 Co2 N8.9 O2 S2
• Calculated formula: C49.806 H50.709 Cl2 Co2 N8.903 O2 S2
• Title of publication: Cleaner and stronger: how 8-quinolinolate facilitates formation of Co(III)-thiolate from Co(II)-disulfide complexes.
• Authors of publication: Marvelous, Christian; de Azevedo Santos, Lucas; Siegler, Maxime A.; Fonseca Guerra, Célia; Bouwman, Elisabeth
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 18.4673 ± 0.0004 Å
• b: 14.935 ± 0.0004 Å
• c: 19.1135 ± 0.0004 Å
• α: 90°
• β: 97.898 ± 0.002°
• γ: 90°
• Cell volume: 5221.7 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No