Information card for entry 1520124

Structure parameters

• Formula: C76 H70 Cu2 Dy2 N4 O26
• Calculated formula: C76 H66 Cu2 Dy2 N4 O24
• SMILES: [Dy]123456([O](c7cccc8C=[N]9[Cu]%10([O]1c78)([O]3c1c([O]2C)cccc1C=[N]%10[N]1[Cu]237[O]8[Dy]%10%11%12([O](c%13cccc(C=[N]97)c8%13)C)([O](C)c7cccc(c7[O]2%11)C=1)([O]=C(O%12)c1ccccc1)([O]=C(O%10)c1ccccc1)[O]=C(O3)c1ccccc1)[O]=C(O6)c1ccccc1)C)([O]=C(O4)c1ccccc1)[O]=C(O5)c1ccccc1.O.OC.OC.O
• Title of publication: Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.
• Authors of publication: Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11935 - 11942
• a: 23.592 ± 0.006 Å
• b: 16.697 ± 0.004 Å
• c: 23.137 ± 0.008 Å
• α: 90°
• β: 119.867 ± 0.004°
• γ: 90°
• Cell volume: 7904 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No