Information card for entry 7107213

Structure parameters

• Formula: C90 H58 Dy2 N4 O14
• Calculated formula: C90 H58 Dy2 N4 O14
• SMILES: c12c3ccc4c2[n]([Dy]2567([n]1ccc3)([O]=C(O7)c1cccc3c1cccc3)[O]=C(O[Dy]13([n]7cccc8c7c7c(cc8)ccc[n]17)([O]=C(O6)c1cccc6c1cccc6)([O]=C(O5)c1cccc5c1cccc5)(OC(=[O]2)c1cccc2c1cccc2)[O]=C(O3)c1c2c(cccc2)ccc1)c1cccc2c1cccc2)ccc4.O.O
• 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: 12.4091 ± 0.0005 Å
• b: 12.4765 ± 0.0005 Å
• c: 14.3009 ± 0.0006 Å
• α: 73.632 ± 0.002°
• β: 66.354 ± 0.002°
• γ: 63.883 ± 0.002°
• Cell volume: 1806.15 ± 0.13 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: 0.0166
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No