Information card for entry 7059163

Structure parameters

• Formula: C138 H186 Dy10 N50 Na2 O82
• Calculated formula: C138 H172 Dy10 N50 Na2 O82
• SMILES: C12c3ccc4C5=N[N]6=Cc7c(c(ccc7)OC)O[Dy]789%10%116(N(=[O]7)(=O)O8)[O]5[Dy]5678%12([n]4[n]3[Dy]34%13%14%15([O]2[Dy]2%16%17%18%19%20([N](=Cc%21c%22c(ccc%21)[O](C)[Dy]%21%23%24%25([O]2%22)([N](=Cc2c%22c(ccc2)[O](C)[Na]2([O]%24=N%24[O]%26[Dy]%27%28%29%30([N]%31=Cc%32c%33c(ccc%32)[O](C)[Dy]%32%34%35([O]%28%33)([O]=N(O%35)=O)([N](=Cc%28c(c(ccc%28)OC)O%34)N=C(c%28ccc%33C%34=N[N]%35=Cc%36c%37c(ccc%36)[O]([Dy]%36%38%39%40%41([N](=Cc%42c%43c(ccc%42)[O](C)[Na]([O]%39=N([O]53)=[O]6)([O]%40%43)([O]=N(=O)O9)[O]=CN(C)C)N=C3c5ccc6C(=N%31)[O]%27[Dy]9%27%26([n]6[n]5[Dy]%35([O]4%36)([O]%383)([O]%169)([O]%34%27)([O]%37%41)([O]%15%20)[O]=CN(C)C)([n]%33[n]%29%28)([O]%18%21)[O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C)C)[O]%30%32)ON(=[O]2)=O)([O]=CN(C)C)([O]=CN(C)C)[O]=%24)([O]%25%22)[O]=CN(C)[C])N=C(c2ccc(C(=N[N]7=Cc3c(c(ccc3)[O]%11C)[O]%10%12)[O]8%14)[n]%13[n]%172)[O]%19%23)([O]=CN(C)[C])[O]=CN(C)C)N=1)[O]=CN(C)C)[O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.CCOCC.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.CCOCC.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: Dysprosium-based linear helicate clusters: syntheses, structures, and magnetism
• Authors of publication: Lu, Jingjing; Li, Xiao-Lei; Jin, Chaoyi; Yu, Yang; Tang, Jinkui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 994 - 1000
• a: 16.2426 ± 0.0018 Å
• b: 16.2562 ± 0.0017 Å
• c: 22.592 ± 0.002 Å
• α: 95.755 ± 0.002°
• β: 101.601 ± 0.002°
• γ: 113.605 ± 0.002°
• Cell volume: 5244.7 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No