Information card for entry 7003051

Structure parameters

• Formula: C26 H25 Co N6 O4 S2
• Calculated formula: C26 H25 Co N6 O4 S2
• Title of publication: Cobalt(ii) and cobalt(iii) complexes of thioether-containing hexadentate pyrazine amide ligands: C‒S bond cleavage and cyclometallation reaction
• Authors of publication: Singh, Akhilesh Kumar; Mukherjee, Rabindranath
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 260 - 270
• a: 19.135 ± 0.005 Å
• b: 10.103 ± 0.005 Å
• c: 13.099 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2532.3 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No