Information card for entry 1520131

Structure parameters

• Formula: C78 H74 Co2 N4 O24 Tb2
• Calculated formula: C78 H74 Co2 N4 O24 Tb2
• SMILES: [Tb]123456([O](C)c7cccc8c7[O]1[Co]17([O]3c3c([O]2C)cccc3C=[N]1[N]1[Co]239([O]%10[Tb]%11%12%13([O](C)c%14cccc(c%10%14)C=[N]9[N]7=C8)([O](C)c8cccc(c8[O]2%12)C=1)([O]=C(O3)c1ccccc1)(OC(=[O]%13)c1ccccc1)[O]=C(O%11)c1ccccc1)[OH]C)([O]=C(O4)c1ccccc1)[OH]C)(OC(=[O]5)c1ccccc1)[O]=C(O6)c1ccccc1.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: 24.168 ± 0.003 Å
• b: 16.9669 ± 0.0016 Å
• c: 22.816 ± 0.003 Å
• α: 90°
• β: 121.013 ± 0.002°
• γ: 90°
• Cell volume: 8018.4 ± 1.6 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: 0.1129
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No