Information card for entry 2009235

Structure parameters

• Formula: C54 H41 B N9 O4 Tb
• Calculated formula: C54 H41 B N9 O4 Tb
• SMILES: [Tb]12345([O]=C(c6ccccc6)C=C(O1)c1ccccc1)([O]=C(c1ccccc1)C=C(O2)c1ccccc1)[n]1c(c2[n]3cccc2)cc[n]1B([n]1[n]4c(cc1)c1cccc[n]15)[n]1ccc(c2ncccc2)[n]1
• Title of publication: Ternary lanthanide complexes of hydrotris[3-(2-pyridyl)pyrazol-1-yl]borate (Tp^py^) and anionic <i>O</i>,<i>O</i>-bidentate chelates: [Tb(Tp^py^)(dbm)~2~] and [Eu(Tp^py^)(trop)(NO~3~)] (Hdbm is dibenzoylmethane and Htrop is tropolone)
• Authors of publication: Ward, Michael D.; McCleverty, Jon A.; Mann, Karen L. V.; Jeffery, John C.; Motson, Graham R.; Hurst, Joanne
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2055 - 2058
• a: 11.4944 ± 0.0017 Å
• b: 14.1547 ± 0.0018 Å
• c: 16.292 ± 0.002 Å
• α: 108.284 ± 0.009°
• β: 92.329 ± 0.013°
• γ: 110.712 ± 0.011°
• Cell volume: 2319.7 ± 0.6 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: 0.0876
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No