Information card for entry 4345230

Structure parameters

• Formula: C42 H52 Co2 N4 O20 Tb2
• Calculated formula: C42 H52 Co2 N4 O20 Tb2
• SMILES: N1(=[O][Tb]23456([O]7CC[N]8(CC[O]9[Co]%1078(OC(=[O]6)c6ccccc6C)[OH]4[Tb]4679([O]8CC[N]9(CC[O]2[Co]89(OC(=[O]7)c2ccccc2C)([OH]56)OC(=[O]3)c2c(cccc2)C)C)(ON(=[O]4)=O)[O]=C(O%10)c2c(cccc2)C)C)O1)=O
• Title of publication: Exploring the Influence of Diamagnetic Ions on the Mechanism of Magnetization Relaxation in {Co(III)2Ln(III)2} (Ln = Dy, Tb, Ho) "Butterfly" Complexes.
• Authors of publication: Vignesh, Kuduva R.; Langley, Stuart K.; Murray, Keith S.; Rajaraman, Gopalan
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2518 - 2532
• a: 10.092 ± 0.002 Å
• b: 10.558 ± 0.002 Å
• c: 11.08 ± 0.002 Å
• α: 90.49 ± 0.03°
• β: 91.81 ± 0.03°
• γ: 91.4 ± 0.03°
• Cell volume: 1179.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71079 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No