Information card for entry 7249087

Structure parameters

• Formula: C27 H24 F9 Gd N2 O6
• Calculated formula: C27 H24 F9 Gd N2 O6
• Title of publication: Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand
• Authors of publication: Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 34
• Pages of publication: 4657 - 4668
• a: 11.8513 ± 0.0008 Å
• b: 12.1261 ± 0.0009 Å
• c: 13.3197 ± 0.0009 Å
• α: 90.144 ± 0.002°
• β: 106.205 ± 0.002°
• γ: 116.611 ± 0.002°
• Cell volume: 1625.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No