Information card for entry 7011492

Structure parameters

• Formula: C28 H29 B N11 Nd O7
• Calculated formula: C28 H29 B N11 Nd O7
• SMILES: [Nd]1234567([O]=N(=O)O1)(ON(=[O]2)=O)[n]1n([BH](n2[n]4c(cc2)c2[n]5cccc2)n2[n]6c(cc2)c2[n]7cccc2)ccc1c1[n]3cccc1.CCOCC
• 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: 10.4274 ± 0.0011 Å
• b: 13.4278 ± 0.0014 Å
• c: 14.5271 ± 0.0015 Å
• α: 113.062 ± 0.002°
• β: 95.236 ± 0.002°
• γ: 105.849 ± 0.002°
• Cell volume: 1754.6 ± 0.3 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: 0.0618
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No