Information card for entry 1520137

Structure parameters

• Formula: C74 H62 Cu2 N4 O22 Tb2
• Calculated formula: C74 H58 Cu2 N4 O22 Tb2
• SMILES: [Tb]123456([O](C)c7cccc8c7[O]1[Cu]17([O]3c3c([O]2C)cccc3C=[N]7[N]2[Cu]379[O]%10[Tb]%11%12%13([O](C)c%14cccc(c%10%14)C=[N]9[N]1=C8)([O](C)c1cccc(c1[O]3%13)C=2)([O]=C(O%11)c1ccccc1)([O]=C(O%12)c1ccccc1)[O]=C(O7)c1ccccc1)[O]=C(O6)c1ccccc1)([O]=C(O4)c1ccccc1)[O]=C(O5)c1ccccc1.O.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: 23.8031 ± 0.0014 Å
• b: 16.5092 ± 0.001 Å
• c: 23.023 ± 0.002 Å
• α: 90°
• β: 119.934 ± 0.001°
• γ: 90°
• Cell volume: 7840.4 ± 1 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: 0.0906
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No