Information card for entry 7033711

Structure parameters

• Formula: C48 H78 Cl6 Gd2 N2 O16
• Calculated formula: C48 H78 Cl6 Gd2 N2 O16
• SMILES: [OH]1CC[N]23[Gd]45671([O]=C(O[Gd]189%10([N](Cc%11c(c(cc(c%11)C)[O]6C)[O]51)(CC[OH]8)CC[OH]%10)([O]4c1c(cc(cc1[O]9C)C)C2)([O]=C(O7)C(C)(C)C)OC(=O)C(C)(C)C)C(C)(C)C)(OC(=O)C(C)(C)C)[OH]CC3.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: 10.8 ± 0.005 Å
• b: 15.574 ± 0.005 Å
• c: 18.284 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.473 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3061.3 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No