Information card for entry 7035001

Structure parameters

• Formula: C31 H16 Dy F18 N2 O6
• Calculated formula: C31 H16 Dy F18 N2 O6
• SMILES: c1c(C)c(C)c2c3c4c(cc2)c(C)c(C)c[n]4[Dy]245([n]13)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O2)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O4)OC(=CC(C(F)(F)F)=[O]5)C(F)(F)F
• Title of publication: Two mononuclear single molecule magnets derived from dysprosium(iii) and tmphen (tmphen = 3,4,7,8-tetramethyl-1,10-phenanthroline).
• Authors of publication: Tong, Yu-Zhang; Gao, Chen; Wang, Qing-Lun; Wang, Bing-Wu; Gao, Song; Cheng, Peng; Liao, Dai-Zheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 9020 - 9026
• a: 11.636 ± 0.002 Å
• b: 13.08 ± 0.003 Å
• c: 13.39 ± 0.003 Å
• α: 100.04 ± 0.03°
• β: 100.45 ± 0.03°
• γ: 90.01 ± 0.03°
• Cell volume: 1972.4 ± 0.8 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: 0.0398
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No