Information card for entry 7122936

Structure parameters

• Formula: C22 H20 Co N6 S0.68 Se1.32
• Calculated formula: C22 H20 Co N6 S0.678 Se1.322
• Title of publication: Tuning of the exchange interaction and the Curie temperature by mixed crystal formation of the bridging anionic ligands
• Authors of publication: Neumann, Tristan; Rams, Michał; Tomkowicz, Zbigniew; Jess, Inke; Nather, Christian
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.3922 ± 0.0007 Å
• b: 13.1777 ± 0.0004 Å
• c: 15.0173 ± 0.0008 Å
• α: 90°
• β: 108.244 ± 0.004°
• γ: 90°
• Cell volume: 2329.1 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No