Information card for entry 7011494

Structure parameters

• Formula: C38 H42 B2 N15 Nd O5
• Calculated formula: C38 H42 B2 N15 Nd O5
• 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: 10.3989 ± 0.0012 Å
• b: 14.3209 ± 0.0015 Å
• c: 15.8589 ± 0.0015 Å
• α: 112.795 ± 0.011°
• β: 91.777 ± 0.007°
• γ: 98.12 ± 0.008°
• Cell volume: 2145.9 ± 0.4 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: 0.0792
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No