Information card for entry 7705193

Structure parameters

• Formula: C24 H32 Co N6 Se2
• Calculated formula: C24 H32 Co N6 Se2
• 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: 11.6923 ± 0.0006 Å
• b: 13.986 ± 0.0007 Å
• c: 15.6498 ± 0.0008 Å
• α: 90°
• β: 90.018 ± 0.002°
• γ: 90°
• Cell volume: 2559.2 ± 0.2 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.1676
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No