Information card for entry 1568785

Structure parameters

• Formula: C55 H49 Cl3 Dy N6 O6 S4 Se20
• Calculated formula: C55 H49 Cl3 Dy N6 O6 S4 Se20
• Title of publication: A New Organic Conductor of Tetramethyltetraselenafulvalene (TMTSF) with a Magnetic Dy(III) Complex
• Authors of publication: Wan, Qingyun; Wakizaka, Masanori; Zhang, Haitao; Shen, Yongbing; Funakoshi, Nobuto; Che, Chi-Ming; Takaishi, Shinya; Yamashita, Masahiro
• Journal of publication: Magnetochemistry
• Year of publication: 2023
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 77
• a: 19.9823 ± 0.0006 Å
• b: 13.8784 ± 0.0005 Å
• c: 29.3863 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8149.5 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No