Information card for entry 7712848

Structure parameters

• Chemical name: GdCu
• Formula: C51 H37 Cl3 Cu F30 Gd N5 O14
• Calculated formula: C50 H36 Cu F30 Gd 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: 12.3499 ± 0.0004 Å
• b: 12.5775 ± 0.0005 Å
• c: 23.4654 ± 0.0009 Å
• α: 78.877 ± 0.003°
• β: 81.598 ± 0.003°
• γ: 75.717 ± 0.003°
• Cell volume: 3447.2 ± 0.2 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: 0.0609
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No