Information card for entry 7004319

Structure parameters

• Formula: C72 H94 O38 Tb2
• Calculated formula: C72 H94 O38 Tb2
• SMILES: C(=O)(O[Tb]1234(Oc5c(cc(cc5C(=O)O)C(C)(C)C)C(O)=[O]1)([OH]c1c(cc(cc1C1=[O][Tb]56(O1)(OC(=O)c1c(c(cc(c1)C(C)(C)C)C(=O)O)O)(Oc1c(cc(cc1C(=O)O)C(C)(C)C)C(O)=[O]5)([OH]c1c(cc(cc1C(=[O]3)O4)C(C)(C)C)C(O)=[O]6)([OH2])[OH2])C(C)(C)C)C(=[O]2)O)([OH2])[OH2])c1c(c(cc(c1)C(C)(C)C)C(=O)O)O.O.O.O.O
• Title of publication: Efficient near-UV photosensitization of the Tb(iii) green luminescence by use of 2-hydroxyisophthalate ligands
• Authors of publication: Benisvy, Laurent; Gamez, Patrick; Fu, Wen Tian; Kooijman, Huub; Spek, Anthony L.; Meijerink, Andries; Reedijk, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 24
• Pages of publication: 3147 - 3149
• a: 10.508 ± 0.001 Å
• b: 12.5528 ± 0.001 Å
• c: 16.649 ± 0.002 Å
• α: 88.623 ± 0.012°
• β: 73.953 ± 0.012°
• γ: 69.668 ± 0.012°
• Cell volume: 1972.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No