Information card for entry 1520132

Structure parameters

• Formula: C78 H72 N4 Ni2 O25 Tb2
• Calculated formula: C78 H74 N4 Ni2 O25 Tb2
• SMILES: [Tb]123456([O](C)c7cccc8c7[O]1[Ni]17([O]3c3c(C=[N]1[N]1[Ni]9%10%11([O]%12[Tb]%13%14%15([O](C)c%16cccc(c%12%16)C=[N]9[N]7=C8)([O](c8cccc(C=1)c8[O]%10%14)C)([O]=C(O%15)c1ccccc1)([O]=C(O%13)c1ccccc1)[O]=C(O%11)c1ccccc1)[OH]C)cccc3[O]2C)([O]=C(O6)c1ccccc1)[OH]C)([O]=C(O4)c1ccccc1)[O]=C(O5)c1ccccc1.OC.O.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: 24.177 ± 0.007 Å
• b: 16.899 ± 0.005 Å
• c: 22.727 ± 0.01 Å
• α: 90°
• β: 121.326 ± 0.018°
• γ: 90°
• Cell volume: 7932 ± 5 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: 0.1866
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No