Information card for entry 4322564

Structure parameters

• Formula: C64 H64 Eu2 N6 O30
• Calculated formula: C64 H64 Eu2 N6 O30
• SMILES: C12C(=C(C1=O)N(c1ccccc1)c1ccccc1)O[Eu]1(ON(=O)=[O]1)([OH2])([O]=C1C(=C(C1=O)N(c1ccccc1)c1ccccc1)O[Eu]1([O]=2)([O]=C2C(=O)C(=C2[O-])N(c2ccccc2)c2ccccc2)([O]=N(=O)O1)([OH2])([OH2])([OH2])[OH2])([O]=C1C([O-])=C(C1=O)N(c1ccccc1)c1ccccc1)([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Comparative Study of the Luminescence Properties of the Europium(III) Complexes of the Squarate, Phenylsquarate, and (Diphenylamino)squarate Ligands
• Authors of publication: Bert D. Alleyne; Lincoln A. Hall; Ishenkumba A. Kahwa; Andrew J. P. White; David J. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 6278 - 6284
• a: 9.1891 ± 0.0004 Å
• b: 9.6966 ± 0.0004 Å
• c: 19.024 ± 0.0008 Å
• α: 77.63 ± 0.003°
• β: 82.293 ± 0.003°
• γ: 87.787 ± 0.003°
• Cell volume: 1640.7 ± 0.12 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.1025
• Goodness-of-fit parameter for all reflections: 1
• Goodness-of-fit parameter for significantly intense reflections: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No