Information card for entry 7033713

Structure parameters

• Formula: C48 H78 Cl6 N2 O16 Tb2
• Calculated formula: C48 H78 Cl6 N2 O16 Tb2
• SMILES: C1[OH][Tb]234567([N](C1)(CC[OH]4)Cc1cc(C)cc4[O](C)[Tb]89%10([N](CC[OH]%10)(CC[OH]8)Cc8cc(C)cc([O]7C)c8[O]39)([O]2c14)([O]=C(O6)C(C)(C)C)(OC(=[O]5)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Homodinuclear lanthanide {Ln2} (Ln = Gd, Tb, Dy, Eu) complexes prepared from an o-vanillin based ligand: luminescence and single-molecule magnetism behavior.
• Authors of publication: Bag, Prasenjit; Rastogi, Chandresh Kumar; Biswas, Sourav; Sivakumar, Sri; Mereacre, Valeriu; Chandrasekhar, Vadapalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4328 - 4340
• a: 10.789 ± 0.005 Å
• b: 15.561 ± 0.005 Å
• c: 18.269 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.279 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3054.1 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No