Information card for entry 7050618

Structure parameters

• Formula: C78 H75 Lu N6 O8 P2
• Calculated formula: C78 H75 Lu N6 O8 P2
• SMILES: [Lu]123([O]=C(c4c(O1)n(nc4C)c1ccccc1)C(C)C)([O]=C(c1c(O2)n(nc1C)c1ccccc1)C(C)C)([O]=C(c1c(O3)n(nc1C)c1ccccc1)C(C)C)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Photoluminescence and electroluminescence properties of three ternary lutetium complexes
• Authors of publication: Xin, Hao; Shi, Mei; Li, Fu You; Guan, Min; Gao, De Qing; Huang, Chun Hui; Ibrahim, Kurash; Liu, Feng Qin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 1485
• a: 13.2633 ± 0.0006 Å
• b: 23.0476 ± 0.0013 Å
• c: 22.9725 ± 0.0006 Å
• α: 90°
• β: 91.39 ± 0.014°
• γ: 90°
• Cell volume: 7020.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No