Information card for entry 7014888

Structure parameters

• Formula: C44 H54 Co2 N4 O30 Tb2
• Calculated formula: C44 H54 Co2 N4 O30 Tb2
• SMILES: C1=[O][Co]2345[O]6c7c1cccc7[O](C)[Tb]17896([O]6c%10c(C=[O]7)cccc%10[O](C)[Co]7%106([O]=Cc6c%11[O]%10[Tb]%10%12%13([O]2c2c(C=[O]%10)cccc2[O]3C)([OH]57)([O](c%11ccc6)C)(ON(=[O]%12)=O)ON(=[O]%13)=O)[OH]41)(ON(=[O]8)=O)ON(=[O]9)=O.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C
• Title of publication: Structural and magnetic studies of original tetranuclear Co(II)-Ln(III) complexes (Ln(III) = Gd, Tb, Y).
• Authors of publication: Costes, Jean-Pierre; Vendier, Laure; Wernsdorfer, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 1700 - 1706
• a: 10.4478 ± 0.001 Å
• b: 20.0927 ± 0.0019 Å
• c: 13.3732 ± 0.0013 Å
• α: 90°
• β: 92.491 ± 0.011°
• γ: 90°
• Cell volume: 2804.7 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No