Information card for entry 7709997

Structure parameters

• Formula: C45 H39 Co N4 O6 S2
• Calculated formula: C45 H39 Co N4 O5.5 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: 19.5098 ± 0.0016 Å
• b: 31.08 ± 0.003 Å
• c: 14.1457 ± 0.0012 Å
• α: 90°
• β: 104.583 ± 0.003°
• γ: 90°
• Cell volume: 8301.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2097
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.355
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No