Information card for entry 7027169

Structure parameters

• Formula: C27 H27 B Eu N11 O7
• Calculated formula: C27 H27 B Eu N11 O7
• SMILES: [Eu]123456([OH2])(ON(=O)=[O]1)(ON(=O)=[O]2)[n]1n(ccc1c1nc(ccc1)C)[BH](n1[n]5c(cc1)c1[n]6c(ccc1)C)n1[n]3c(cc1)c1[n]4c(ccc1)C
• 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: 10.876 ± 0.003 Å
• b: 16.507 ± 0.005 Å
• c: 19.011 ± 0.006 Å
• α: 70.302 ± 0.005°
• β: 82.212 ± 0.005°
• γ: 73.769 ± 0.007°
• Cell volume: 3082 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0924
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.0724
• Goodness-of-fit parameter for all reflections: 0.982
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No