Information card for entry 1520136

Structure parameters

• Formula: C78 H74 N4 Ni2 O24 Y2
• Calculated formula: C78 H74 N4 Ni2 O24 Y2
• SMILES: [Y]123456([O](C)c7cccc8c7[O]1[Ni]17([O]3c3c([O]2C)cccc3C=[N]7[N]2[Ni]379([O]%10[Y]%11%12%13([O](C)c%14cccc(c%10%14)C=[N]9[N]1=C8)([O](C)c1cccc(c1[O]3%12)C=2)([O]=C(O7)c1ccccc1)([O]=C(O%13)c1ccccc1)[O]=C(O%11)c1ccccc1)[OH]C)([O]=C(O4)c1ccccc1)[OH]C)([O]=C(O5)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: 24.185 ± 0.003 Å
• b: 17.062 ± 0.002 Å
• c: 22.656 ± 0.004 Å
• α: 90°
• β: 121.363 ± 0.002°
• γ: 90°
• Cell volume: 7983 ± 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: 0.1408
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No