Information card for entry 7708510

Structure parameters

• Formula: C30 H32 Co N2 S4
• Calculated formula: C30 H32 Co N2 S4
• Title of publication: Same ligand, three first-row metals: Comparing M-amido bifunctional reactivity (Mn, Fe, Co)
• Authors of publication: Elsby, Matthew; Kim, Scott Y. H.; Steinmann, Stephan; Baker, R. Tom
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 14.3526 ± 0.0005 Å
• b: 10.3708 ± 0.0004 Å
• c: 19.811 ± 0.0006 Å
• α: 90°
• β: 107.76 ± 0.002°
• γ: 90°
• Cell volume: 2808.29 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0783
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No