Information card for entry 4340364

Structure parameters

• Formula: C98 H98 Dy6 N12 O62
• Calculated formula: C98 H84 Dy6 N12 O62
• SMILES: c12c3cccc1[O](C)[Dy]145678[O]2[Dy]29([O]3C)([O](C)[Dy]3%10%11%12([O]9c9c([O]2C)cccc9[O]3C)(OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)[O]=C(c2cc(N(=O)=O)cc(N(=O)=O)c2)O[Dy]239%13([O]%14c%15c(cccc%15[O]2C)[O](C)[Dy]2%15%14(OC(=[O]3)c3cc(N(=O)=O)cc(c3)N(=O)=O)([O](c3c%14c(ccc3)[O](C)[Dy]3([O]2%14)([O]%15C)(OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)([O]=C(c2cc(N(=O)=O)cc(N(=O)=O)c2)O5)([O](c2c(c(ccc2)[O]7C)[O]63)C)[O]8C)C)([O]9C)[OH]C)([O]%11c2c(cccc2[O]%13C)[O]%10C)[O]%12C)([O]=C(O1)c1cc(N(=O)=O)cc(c1)N(=O)=O)([O]4C)[OH]C
• Title of publication: Structures and magnetic properties of two analogous dy6 wheels with electron-donation and -withdrawal effects.
• Authors of publication: Joarder, Biplab; Mukherjee, Soumya; Xue, Shufang; Tang, Jinkui; Ghosh, Sujit K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7554 - 7560
• a: 11.0686 ± 0.0018 Å
• b: 17.344 ± 0.003 Å
• c: 19.33 ± 0.003 Å
• α: 113.975 ± 0.003°
• β: 100.42 ± 0.003°
• γ: 100.367 ± 0.003°
• Cell volume: 3199.4 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1954
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2195
• Weighted residual factors for all reflections included in the refinement: 0.2963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No