Information card for entry 7010685

Structure parameters

• Formula: C48 H55 B Cl6 N11 O6 Tb
• Calculated formula: C48 H55 B Cl6 N11 O6 Tb
• Title of publication: A C3-symmetric chiral hexadentate podand ligand based on a tris(pyrazolyl)borate core
• Authors of publication: Motson, Graham R.; Mamula, Olimpia; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; von Zelewsky, Alex
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1389
• a: 12.6126 ± 0.0017 Å
• b: 17.623 ± 0.002 Å
• c: 24.975 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5551.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No