Information card for entry 7120381

Structure parameters

• Formula: C22 H23 Dy F3 N O4 S
• Calculated formula: C22 H23 Dy F3 N O4 S
• SMILES: [Dy]123456789%10([O]%11CCCC%11)(OS(=O)(=O)C(F)(F)F)[n]%11c(cccc%11C[c]%114[cH]3[cH]2[cH]%10[cH]5%11)C[c]27[cH]1[cH]9[cH]6[cH]82
• Title of publication: Comparative Study of Magnetization Dynamics in Dinuclear Dysprosium Complexes Featuring Bridging Chloride or Trifluoromethanesulfonate Ligands
• Authors of publication: Burns, Corey P.; Wilkins, Branford O.; Dickie, Courtney M.; Latendresse, Trevor; Vernier, Larry; Vignesh, Kuduva R.; Bhuvanesh, Nattamai; Nippe, Michael
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 8.2141 ± 0.0003 Å
• b: 11.0008 ± 0.0004 Å
• c: 12.1504 ± 0.0005 Å
• α: 82.426 ± 0.002°
• β: 78.374 ± 0.002°
• γ: 88.147 ± 0.002°
• Cell volume: 1066 ± 0.07 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.017
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.0374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No