Information card for entry 7014077

Structure parameters

• Formula: C54 H41 B Eu N9 O4
• Calculated formula: C54 H41 B Eu N9 O4
• SMILES: [Eu]12345([n]6n([BH](n7[n]2c(cc7)c2[n]3cccc2)n2nc(cc2)c2ncccc2)ccc6c2[n]1cccc2)([O]=C(c1ccccc1)C=C(O4)c1ccccc1)[O]=C(c1ccccc1)C=C(O5)c1ccccc1
• Title of publication: Structural and near-IR photophysical studies on ternary lanthanide complexes containing poly(pyrazolyl)borate and 1,3-diketonate ligands.
• Authors of publication: Davies, Graham M.; Aarons, Rebecca J.; Motson, Graham R.; Jeffery, John C.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1136 - 1144
• a: 11.3843 ± 0.0014 Å
• b: 14.1792 ± 0.0017 Å
• c: 16.376 ± 0.002 Å
• α: 108.294 ± 0.002°
• β: 91.575 ± 0.002°
• γ: 110.801 ± 0.002°
• Cell volume: 2317.3 ± 0.5 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: 0.0356
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No