Information card for entry 7712850

Structure parameters

• Formula: C51 H37 Cl3 Cu Dy F30 N5 O14
• Calculated formula: C50 H36 Cu Dy F30 N5 O14
• Title of publication: Magnetic relaxation in unique nitronyl nitroxide biradical-Ln-Cu chains with Ln-bis(NIT)-Cu-bis(NIT)-Ln units
• Authors of publication: Han, Jing; Jin, Chaoyi; Wang, Xiao-Tong; Huang, Xiaohui; Song, Hong-Wei; Xie, Junfang; Li, Licun
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.3381 ± 0.0003 Å
• b: 12.5691 ± 0.0003 Å
• c: 23.3482 ± 0.0006 Å
• α: 78.869 ± 0.002°
• β: 81.766 ± 0.002°
• γ: 75.581 ± 0.002°
• Cell volume: 3423.5 ± 0.15 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No