Information card for entry 7011493

Structure parameters

• Formula: C75.61 H66.43 B3 N18 Nd O
• Calculated formula: C75.608 H66.432 B3 N18 Nd O
• Title of publication: Synthesis and near-IR luminescence properties of neodymium(iii) and ytterbium(iii) complexes with poly(pyrazolyl)borate ligands
• Authors of publication: Beeby, Andrew; Burton-Pye, Benjamin P.; Faulkner, Stephen; Motson, Graham R.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 1923
• a: 12.0803 ± 0.0014 Å
• b: 24.827 ± 0.003 Å
• c: 22.673 ± 0.003 Å
• α: 90°
• β: 97.707 ± 0.002°
• γ: 90°
• Cell volume: 6738.6 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0933
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No