Information card for entry 7224102

Structure parameters

• Chemical name: tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(1,10-phenanthroline-N,N')-Dysprosium(III)
• Formula: C42 H38 Dy F21 N2 O6
• Calculated formula: C42 H38 Dy F21 N2 O6
• SMILES: [Dy]1234([n]5c6c(ccc7c6[n]2ccc7)ccc5)([O]=C(C=C(O3)C(C(F)(F)C(F)(F)F)(F)F)C(C)(C)C)([O]=C(C=C(O1)C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C)[O]=C(C=C(O4)C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: Evaporable lanthanide single-ion magnet
• Authors of publication: Gao, Chen; Yang, Qian; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 4165
• a: 14.0899 ± 0.0003 Å
• b: 19.8329 ± 0.0003 Å
• c: 17.4263 ± 0.0003 Å
• α: 90°
• β: 102.091 ± 0.002°
• γ: 90°
• Cell volume: 4761.64 ± 0.15 ų
• Cell temperature: 119.96 ± 0.11 K
• Ambient diffraction temperature: 119.96 ± 0.11 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No