Information card for entry 4310054

Structure parameters

• Formula: C72 H53 Eu N9 O8 P
• Calculated formula: C72 H53 Eu N9 O8 P
• SMILES: [Eu]123(Oc4n(nc(c4C(=[O]1)c1ccc(cc1)C#N)C)c1ccccc1)(Oc1n(nc(c1C(=[O]2)c1ccc(cc1)C#N)C)c1ccccc1)(Oc1n(nc(c1C(=[O]3)c1ccc(cc1)C#N)C)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[OH2]
• Title of publication: Tuning the Triplet Energy Levels of Pyrazolone Ligands to Match the 5D0 Level of Europium(III)
• Authors of publication: Mei Shi; Fuyou Li; Tao Yi; Dengqing Zhang; Huaiming Hu; Chunhui Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8929 - 8936
• a: 14.161 ± 0.003 Å
• b: 15.122 ± 0.003 Å
• c: 17.272 ± 0.004 Å
• α: 100.72 ± 0.03°
• β: 111.64 ± 0.03°
• γ: 106.88 ± 0.03°
• Cell volume: 3106.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.099
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No