Information card for entry 7118122

Structure parameters

• Formula: C80 H76 Dy4 F12 N28 O44 S4
• Calculated formula: C80 H52 Dy4 F12 N28 O44 S4
• SMILES: c1cccc2C=[N]3N=C4c5cccc(C6=N[N]7=Cc8cccc[n]8[Dy]897([n]7ccccc7C=[N]8N=C(c7cccc(C8=N[N]%10=Cc%11cccc[n]%11[Dy]%11%12%10([OH2])([OH2])(OC(=N[N]%12=Cc%10cccc[n]%11%10)c%10cccc(n%10)C%10=N[N]%11=Cc%12cccc[n]%12[Dy]%12%13%11([n]%11ccccc%11C=[N]%12N=C(c%11nc(C%12=N[N]%14[Dy]3([n]12)([OH2])([OH2])(O%12)([n]1ccccc1C=%14)([OH2])O4)ccc%11)O%13)([OH2])([OH2])([OH2])O%10)([OH2])O8)n7)O9)([OH2])([OH2])([OH2])O6)n5.FC(F)(S(=O)(=O)[O-])F.O.O.FC(F)(S(=O)(=O)[O-])F.FC(F)(F)S(=O)(=O)[O-].O.O.FC(F)(F)S(=O)(=O)[O-].O.O.O.O.O.O.O.O
• Title of publication: Constructing supramolecular grids: from 4f square to 3d-4f grid
• Authors of publication: Jianfeng Wu; Lang Zhao; Mei Guo; Jinkui Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 17317
• a: 21.384 ± 0.003 Å
• b: 21.384 ± 0.003 Å
• c: 38.507 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17608 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.1603
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2971
• Weighted residual factors for all reflections included in the refinement: 0.3384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No