Information card for entry 4315035

Structure parameters

• Formula: C130 H136 N6 O22 S2 Tb2
• Calculated formula: C126 H108 N6 O20 Tb2
• SMILES: C1(=[O][Tb]23(O1)([OH2])(OC(=[O]2)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)([O]=C(O[Tb]12([O]=C(c4ccc(cc4)N(Cc4ccccc4)Cc4ccccc4)O1)(OC(=[O]2)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)([O]=C(O3)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)([OH2])[OH2])c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)[OH2])c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1.O.O.O.O
• Title of publication: Synthesis, Crystal Structure, and Photoluminescence of Homodinuclear Lanthanide 4-(Dibenzylamino)benzoate Complexes
• Authors of publication: A. R. Ramya; M. L. P. Reddy; Alan H. Cowley; Kalyan V. Vasudevan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2407 - 2415
• a: 9.829 ± 0.005 Å
• b: 17.18 ± 0.005 Å
• c: 17.816 ± 0.005 Å
• α: 84.971 ± 0.005°
• β: 82.794 ± 0.005°
• γ: 87.271 ± 0.005°
• Cell volume: 2971.2 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No