Information card for entry 1520134

Structure parameters

• Formula: C78 H74 Co2 N4 O26 Y2
• Calculated formula: C78 H74 Co2 N4 O25 Y2
• SMILES: [Y]123456([O]=C(O5)c5ccccc5)([O](C)c5cccc7c5[O]1[Co]15([O]3c3c([O]2C)cccc3C=[N]1[N]1[Co]238([O]9[Y]%10%11%12([O](C)c%13cccc(c9%13)C=[N]8[N]5=C7)([O](C)c5cccc(c5[O]2%11)C=1)(OC(=[O]%12)c1ccccc1)([O]=C(O%10)c1ccccc1)[O]=C(O3)c1ccccc1)[OH]C)([O]=C(O6)c1ccccc1)[OH]C)OC(=[O]4)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: 24.133 ± 0.002 Å
• b: 17.0815 ± 0.0015 Å
• c: 22.658 ± 0.003 Å
• α: 90°
• β: 121.233 ± 0.001°
• γ: 90°
• Cell volume: 7986.5 ± 1.4 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: 0.1699
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No