Information card for entry 7709995

Structure parameters

• Formula: C30 H28 Co N4 O4 S2
• Calculated formula: C30 H28 Co N4 O4 S2
• Title of publication: Phonon-induced relaxation mechanisms are changed by a chelating effect in a CoII single-ion magnet
• Authors of publication: Lou, Yu-Siang; Lin, Bo-Ruei; Wu, Chen-Ming; Chien, Su-Ying; Yang, En-Che
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 16.6621 ± 0.0018 Å
• b: 11.5428 ± 0.0012 Å
• c: 14.7676 ± 0.0015 Å
• α: 90°
• β: 99.816 ± 0.01°
• γ: 90°
• Cell volume: 2798.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No