Information card for entry 4309471

Structure parameters

• Formula: C78 H69 N6 Nd O6 P6
• Calculated formula: C78 H69 N6 Nd O6 P6
• SMILES: [Nd]123([O]=P(N=P(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(N=P(O2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(N=P(O3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC.N#CC.N#CC
• Title of publication: Long-Lived Near-Infrared Luminescent Lanthanide Complexes of Imidodiphosphinate "Shell" Ligands
• Authors of publication: Andrew P. Bassett; Rik Van Deun; Peter Nockemann; Peter B. Glover; Benson M. Kariuki; Kristof Van Hecke; Luc Van Meervelt; Zoe Pikramenou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6140 - 6142
• a: 11.16 ± 0.003 Å
• b: 13.796 ± 0.004 Å
• c: 23.585 ± 0.007 Å
• α: 89.024 ± 0.014°
• β: 86.135 ± 0.012°
• γ: 85.359 ± 0.012°
• Cell volume: 3610.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0985
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.2295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No