Information card for entry 4331859

Structure parameters

• Formula: C51 H30 Er F18 O8 P2
• Calculated formula: C51 H30 Er F18 O8 P2
• SMILES: [Er]123([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: Novel Stoichiometrically Erbium−Ytterbium Cocrystalline Complex Exhibiting Enhanced Near-Infrared Luminescence
• Authors of publication: Zhong, Qi; Wang, Huaishan; Qian, Guodong; Wang, Zhiyu; Zhang, Jiahua; Qiu, Jianrong; Wang, Minquan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4537 - 4543
• a: 17.4229 ± 0.0005 Å
• b: 15.591 ± 0.0003 Å
• c: 20.5218 ± 0.0008 Å
• α: 90°
• β: 93.494 ± 0.0008°
• γ: 90°
• Cell volume: 5564.2 ± 0.3 ų
• Cell temperature: 293 ± 1 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 significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No