Information card for entry 7042476

Structure parameters

• Formula: C60 H56 Cl4 Dy2 N6 O20 Zn2
• Calculated formula: C60 H56 Cl4 Dy2 N6 O20 Zn2
• SMILES: c12c(cccc1C=[N]1c3ccccc3[O]34[Dy]5671(O2)([O]1c2c([O]5C)cccc2C=[N]2[Zn]531([O](c1c2cccc1)[Dy]12389([N](=Cc%10c(c(ccc%10)OC)O1)c1ccccc1[O]52[Zn]124([O]3c3c([O]8C)cccc3C=[N]1c1ccccc1[O]72)[OH]C)ON(=[O]9)=O)[OH]C)ON(=[O]6)=O)OC.ClCCl.C(Cl)Cl
• Title of publication: The role of coordinated solvent on Co(ii) ions in tuning the single molecule magnet properties in a {CoDy} system.
• Authors of publication: Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5337 - 5343
• a: 10.5972 ± 0.0003 Å
• b: 11.1817 ± 0.0003 Å
• c: 13.6846 ± 0.0004 Å
• α: 100.366 ± 0.002°
• β: 91.738 ± 0.002°
• γ: 97.091 ± 0.002°
• Cell volume: 1580.59 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0297
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No