Information card for entry 7705195

Structure parameters

• Formula: C24 H32 Co N6 S2
• Calculated formula: C24 H32 Co N6 S2
• Title of publication: Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands
• Authors of publication: Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake
• Journal of publication: Dalton Transactions
• Year of publication: 2020
• a: 11.6028 ± 0.0009 Å
• b: 13.9245 ± 0.0011 Å
• c: 15.2779 ± 0.0012 Å
• α: 90°
• β: 90.056 ± 0.004°
• γ: 90°
• Cell volume: 2468.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No