Information card for entry 2207406

Structure parameters

• Chemical name: Tris[4-(3-methyl-4-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)isobutanolato- κ^2^O,O']bis(triphenylphosphine oxide-κO)europium(III)
• Formula: C78 H75 Eu N6 O8 P2
• Calculated formula: C78 H75 Eu N6 O8 P2
• SMILES: [Eu]123([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)(Oc4n(nc(c4C(=[O]1)C(C)C)C)c1ccccc1)(Oc1n(nc(c1C(=[O]2)C(C)C)C)c1ccccc1)Oc1n(nc(c1C(=[O]3)C(C)C)C)c1ccccc1
• Title of publication: Tris[4-(3-methyl-4-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)isobutanolato-κ^2^<i>O</i>,<i>O</i>']bis(triphenylphosphine oxide-κ<i>O</i>)europium(III)
• Authors of publication: Qian-Yong Cao; Li-Qun Huang; Zhong-Wei Wang; Chang-Jian Yang; Xi-Cun Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2414 - m2415
• a: 13.3872 ± 0.0014 Å
• b: 23.187 ± 0.002 Å
• c: 23.13 ± 0.002 Å
• α: 90°
• β: 91.89 ± 0.002°
• γ: 90°
• Cell volume: 7175.9 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.127
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes