Information card for entry 1520126

Structure parameters

• Formula: C76 H70 Dy2 N4 O24 Zn2
• Calculated formula: C76 H66 Dy2 N4 O24 Zn2
• SMILES: [Dy]123456([O]=C(O4)c4ccccc4)([O](C)c4cccc7c4[O]1[Zn]14([O]3c3c([O]2C)cccc3C=[N]4[N]2[Zn]348[O]9[Dy]%10%11%12([O](C)c%13cccc(c9%13)C=[N]8[N]1=C7)([O](C)c1cccc(c1[O]3%11)C=2)([O]=C(O%12)c1ccccc1)(OC(=[O]%10)c1ccccc1)[O]=C(O4)c1ccccc1)[O]=C(O6)c1ccccc1)OC(=[O]5)c1ccccc1.O.O.OC.OC
• 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: 23.874 ± 0.003 Å
• b: 16.89 ± 0.003 Å
• c: 22.915 ± 0.004 Å
• α: 90°
• β: 120.515 ± 0.012°
• γ: 90°
• Cell volume: 7960 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1253
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2172
• Weighted residual factors for all reflections included in the refinement: 0.2611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No