Information card for entry 7107215

Structure parameters

• Formula: C90 H58 Dy2 N4 O12
• Calculated formula: C90 H58 Dy2 N4 O12
• SMILES: C1(c2c3ccccc3ccc2)=[O][Dy]2345([O]=C(O[Dy]67([O]=C(O6)c6c8ccccc8ccc6)([n]6c8c9[n]7cccc9ccc8ccc6)(O1)([O]=C(O3)c1c3c(cccc3)ccc1)[O]=C(c1c3ccccc3ccc1)O4)c1c3c(cccc3)ccc1)([O]=C(O5)c1c3c(cccc3)ccc1)[n]1c3c4[n]2cccc4ccc3ccc1
• Title of publication: The application of single-crystal-to-single-crystal transformation towards adjustable SMM properties
• Authors of publication: Yu-mei Song; Feng Luo; Ming-biao Luo; Zhen-wei Liao; Gong-ming Sun; Xiao-zhao Tian; Yan Zhu; Zi-Jun Yuan; Shu-juan Liu; Wen-yuan Xu; Xue-feng Feng
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1006
• a: 12.1856 ± 0.0003 Å
• b: 12.7654 ± 0.0003 Å
• c: 13.0999 ± 0.0003 Å
• α: 88.574 ± 0.001°
• β: 62.341 ± 0.002°
• γ: 80.651 ± 0.001°
• Cell volume: 1777.93 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0198
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No