Information card for entry 7223578

Structure parameters

• Formula: C43.5 H45 F9 Gd N5 O9.5
• Calculated formula: C40 H34 F9 Gd N5 O8
• SMILES: [Gd]1234(ON5C(C)(C)C(N(=O)=C5c5[n]4c([nH]n5)C)(C)C)(OC(=CC(=[O]1)c1ccccc1)C(F)(F)F)([O]=C(c1ccccc1)C=C(O2)C(F)(F)F)[O]=C(C=C(O3)c1ccccc1)C(F)(F)F
• Title of publication: Modulating spin dynamics of LnIII-radical complexes by using different coligand
• Authors of publication: Tian, Li; Li, Ting; Zhou, Shang Yong; Li, Xin; Liu, Zhong Yi; Guo, Jian Hua; Liao, Dai-zheng
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 27.474 ± 0.002 Å
• b: 21.7415 ± 0.0018 Å
• c: 33.465 ± 0.003 Å
• α: 90°
• β: 102.25 ± 0.001°
• γ: 90°
• Cell volume: 19534 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1866
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No