Information card for entry 7713351

Structure parameters

• Formula: C38 H40 Co N6 O2 S2
• Calculated formula: C38 H40 Co N6 O2 S2
• Title of publication: Kink distortion of the pseudo-<i>S</i>₄ axis in pseudotetrahedral [N₂O₂] bis-chelate cobalt(II) single-ion magnets leads to increased magnetic anisotropy.
• Authors of publication: Lima, Sudhir; Pohle, Maximilian H.; Böhme, Michael; Görls, Helmar; Lohmiller, Thomas; Schnegg, Alexander; Dinda, Rupam; Plass, Winfried
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 19.3224 ± 0.0003 Å
• b: 14.9633 ± 0.0004 Å
• c: 13.2176 ± 0.0003 Å
• α: 90°
• β: 101.407 ± 0.001°
• γ: 90°
• Cell volume: 3746.08 ± 0.14 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No