Information card for entry 7034235

Structure parameters

• Formula: C54 H108 Dy6 N18 O36
• Calculated formula: C54 H108 Dy6 N18 O36
• SMILES: C1C[O]2[Dy]34567(ON(=[O]5)=O)[N]1(C[C@@H](C)[OH]4)CC[O]3[Dy]13458(ON(=[O]8)=O)[O]8CC[N]9%10CC[O]%11[Dy]89%12([OH][C@@H](C%10)C)(ON(=[O]%12)=O)([O]4CC[N]1(CC[O]63)C[C@H](C)[OH]5)[O]1CC[N]34CC[O]5[Dy]689%10%12(ON(=[O]%10)=O)[N](CC[O]6[Dy]1356%11([OH][C@H](C4)C)ON(=[O]6)=O)(C[C@@H](C)[OH]9)CC[O]8[Dy]13452([N](CC[O]%121)(CC[O]73)C[C@H](C)[OH]4)ON(=[O]5)=O.C(#N)C.C(#N)C.C(#N)C.C(#N)C.C(#N)C.C(#N)C
• Title of publication: Ligand field variations: tuning the toroidal moment of Dy6 rings.
• Authors of publication: Baniodeh, Amer; Magnani, Nicola; Bräse, Stefan; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6343 - 6347
• a: 17.5124 ± 0.0014 Å
• b: 17.5124 ± 0.0014 Å
• c: 24.2551 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6442.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No