Information card for entry 7118121

Structure parameters

• Formula: C84 H132 Cl12 Cu4 Dy4 N28 O48
• Calculated formula: C84 H68 Cl10 Cu4 Dy4 N28 O48
• SMILES: C1c2cccc3[n]2[Dy]24567([N]([N]8[Cu]9(Cl)([n]%10c(cccc%10C%10=[N]9[N]9=Cc%11[n]%12c(ccc%11)C[OH][Dy]%11%13%149%12([n]9c(C[OH]%13)cccc9C=[N]%11[N]9=C(c%11[n]%12c(C%13=[N]([N]%15=Cc%16cccc%17C[OH][Dy]%18%19%20%15([n]%16%17)([N]([N]%15=C(O%19)c%16[n]%17c(ccc%16)C%16=[N]([N]%19=Cc%21[n]%22c(ccc%21)C[OH][Dy]%21%23%24%19%22([n]%19c(C[OH]%23)cccc%19C=[N]%21[N]%19=C(c%21[n]%22c(C(=[N]([N]5=C3)[Cu]%19%22(Cl)Cl)O6)ccc%21)O%24)(O%16)[OH2])[Cu]%15%17(Cl)Cl)=Cc3[n]%18c(ccc3)C[OH]%20)(O%13)[OH2])[Cu]9%12(Cl)Cl)ccc%11)O%14)(O%10)[OH2])C=8O7)Cl)=Cc3[n]2c(C[OH]4)ccc3)([OH]1)[OH2].O.O.O.O.[Cl-].O.O.O.O.O.O.O.O.O.O.[Cl-].O.O.O.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: 19.3834 ± 0.0015 Å
• b: 27.657 ± 0.002 Å
• c: 15.3958 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8253.5 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.1814
• Residual factor for significantly intense reflections: 0.1311
• Weighted residual factors for significantly intense reflections: 0.3842
• Weighted residual factors for all reflections included in the refinement: 0.4479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.727
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No