Information card for entry 1550897

Structure parameters

• Formula: C72 H78 Cr2 Dy2 N6 O18
• Calculated formula: C72 H78 Cr2 Dy2 N6 O18
• SMILES: [Dy]1234567([OH]8[Cr]9%10%11([O]=C(c%12ccc(cc%12)C)O[Dy]%12%13%14%15%16%17([OH]9[Cr]8([O]4CC[N]1(CC[O]3%11)Cc1[n]2cccc1)([O]=C(O6)c1ccc(cc1)C)([O]%16CC[N]%17(CC[O]%10%13)Cc1[n]%12cccc1)[O]=C(O%14)c1ccc(cc1)C)[O]=C(O%15)c1ccc(cc1)C)[O]=C(O5)c1ccc(cc1)C)[O]=C(O7)c1ccc(cc1)C.N#CC.N#CC
• Title of publication: Mechanism of Magnetization Relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) “Butterfly” Complexes: How Important Are the Transition Metal Ions Here?
• Authors of publication: Peng, Yan; Singh, Mukesh Kumar; Mereacre, Valeriu; Anson, Christopher; Rajaraman, Gopalan; Powell, Annie K.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 28.044 ± 0.003 Å
• b: 10.4184 ± 0.0009 Å
• c: 24.335 ± 0.003 Å
• α: 90°
• β: 94.793 ± 0.009°
• γ: 90°
• Cell volume: 7085.2 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No