Information card for entry 4347729

Structure parameters

• Formula: C88 H92 Dy4 N32 O32 S4 Zn4
• Calculated formula: C88 H92 Dy4 N32 O32 S4 Zn4
• SMILES: C1c2cccc3C=[N]4[N]5=C6c7[n]8[Zn]5(N=C=S)(O)[N]5=C(O[Dy]9%10%11%12%13([n]%14c(C[OH]%11)cccc%14C=[N]9[N]9=C(c%11[n]%14c(ccc%11)C%11=[N]([N]%15=Cc%16[n]%17c(ccc%16)C[OH][Dy]%16%18%19%15%17([n]%15c(C[OH]%18)cccc%15C=[N]%16[N]%15=C(c%16[n]%17c(ccc%16)C%16=[N]([N]%18=Cc%20[n]%21c(ccc%20)C[OH][Dy]%20%22%23%18%21(O%16)([n]%16c(C[OH]%22)cccc%16C=[N]%20[N]%16=C(c%18[n]%20c(ccc%18)C%18=[N]([N]%21=Cc%22[n]%24c(ccc%22)C[OH][Dy]4%21%24([n]23)([OH]1)(O6)(O)O%18)[Zn]%16%20(N=C=S)O)O%23)O)[Zn]%15%17(N=C=S)O)O%19)(O)O%11)[Zn]9%14(N=C=S)O)O%12)([N]5=Cc1[n]%10c(ccc1)C[OH]%13)O)c8ccc7.O.O.O.O.O.O.O.O
• Title of publication: Metallosupramolecular Coordination Complexes: The Design of Heterometallic 3d-4f Gridlike Structures.
• Authors of publication: Wu, Jianfeng; Zhao, Lang; Zhang, Li; Li, Xiao-Lei; Guo, Mei; Tang, Jinkui
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5514 - 5519
• a: 24.0282 ± 0.0016 Å
• b: 24.0282 ± 0.0016 Å
• c: 34.364 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19840 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2816
• Weighted residual factors for all reflections included in the refinement: 0.3122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No