Information card for entry 7027171

Structure parameters

• Formula: C28 H29 B Cl2 N11 O7 Tb
• Calculated formula: C28 H29 B Cl2 N11 O7 Tb
• Title of publication: Lanthanide complexes of a new sterically hindered potentially hexadentate podand ligand based on a tris(pyrazolyl)borate core; crystal structures, solution structures and luminescence properties
• Authors of publication: Reeves, Zoe R.; Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; Barigelletti, Francesco; Armaroli, Nicola
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 3
• Pages of publication: 349
• a: 18.588 ± 0.002 Å
• b: 16.382 ± 0.0012 Å
• c: 11.3938 ± 0.0014 Å
• α: 90°
• β: 106.099 ± 0.007°
• γ: 90°
• Cell volume: 3333.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for all reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.0559
• Goodness-of-fit parameter for all reflections: 0.97
• Goodness-of-fit parameter for significantly intense reflections: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No