Information card for entry 7720911

Structure parameters

• Formula: C27 H24 Co N3 O3 S6
• Calculated formula: C27 H24 Co N3 O3 S6
• Title of publication: Synthesis, structural characterization, and electrocatalytic hydrogen generation activity of fac-tris(β-oxodithioester-O^S)cobalt(III) complexes
• Authors of publication: Mishra, Anjali; Yadav, Chote Lal; Yi, Jun; Lisensky, George; Drew, Michael G. B.; Mishra, Gaurav Kumar; Ding, Wendu; Nordlander, Ebbe; Singh, Nanhai; Kumar, Kamlesh
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 9.9778 ± 0.001 Å
• b: 30.329 ± 0.003 Å
• c: 9.7288 ± 0.0009 Å
• α: 90°
• β: 98.61 ± 0.003°
• γ: 90°
• Cell volume: 2910.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2511
• Weighted residual factors for all reflections included in the refinement: 0.2714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No