Information card for entry 7709996

Structure parameters

• Formula: C36.5 H44 Cl Co N6 O4.5 S2
• Calculated formula: C36.5 H44 Cl Co N6 O4.5 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: 18.7232 ± 0.0014 Å
• b: 12.826 ± 0.0009 Å
• c: 32.042 ± 0.003 Å
• α: 90°
• β: 95.582 ± 0.007°
• γ: 90°
• Cell volume: 7658.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1906
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No