Information card for entry 7229173

Structure parameters

• Formula: C56 H52 Cl10 Dy2 N8 O6
• Calculated formula: C56 H52 Cl10 Dy2 N8 O6
• SMILES: c12c([O]3[Dy]45678[N](CCN9CC[N]%10(C29)CC[N]2=Cc9c(O[Dy]%11%123%102[N](CCN2CC[N]6(CC[N]5=Cc3c(O8)ccc(c3)Cl)C2c2c([O]7%11)ccc(c2)Cl)=Cc2cc(ccc2O%12)Cl)ccc(c9)Cl)=Cc2cc(ccc2O4)Cl)ccc(c1)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Solvent orientation in the crystal lattice producing distinct magnetic dynamics in two binuclear Dy(iii) polymorphs with a polydentate Schiff base ligand
• Authors of publication: Jiang, Zhijie; Sun, Lin; Yang, Qi; Wei, Shilong; Ke, Hongshan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 21.186 ± 0.009 Å
• b: 15.093 ± 0.009 Å
• c: 21.803 ± 0.012 Å
• α: 90°
• β: 116.915 ± 0.014°
• γ: 90°
• Cell volume: 6217 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No