Information card for entry 7035002

Structure parameters

• Formula: C31 H41 Dy N2 O8
• Calculated formula: C31 H41 Dy N2 O8
• SMILES: c1c(C)c(C)c2c3c4c(cc2)c(c(c[n]4[Dy]245([n]13)(OC(=CC(C)=[O]2)C)([O]=C(C)C=C(C)O4)OC(=CC(C)=[O]5)C)C)C.O.O
• 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: 10.6421 ± 0.0009 Å
• b: 11.4005 ± 0.0008 Å
• c: 14.6562 ± 0.0008 Å
• α: 83.765 ± 0.005°
• β: 72.402 ± 0.006°
• γ: 67.841 ± 0.007°
• Cell volume: 1569.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No