Information card for entry 4342713

Structure parameters

• Formula: C29 H28 B Cl3 Eu N9 O5
• Calculated formula: C29 H28 B Cl3 Eu N9 O5
• SMILES: [BH]12n3ccc4c5cccc[n]5[Eu]56([n]34)([n]3c(ccn13)c1cccc[n]51)([n]1c(ccn21)c1cccc[n]61)([OH2])(OC(=O)C)OC(=O)C.C(Cl)(Cl)Cl
• Title of publication: Manifestation of π-π Stacking Interactions in Luminescence Properties and Energy Transfer in Aromatically-Derived Tb, Eu and Gd Tris(pyrazolyl)borate Complexes.
• Authors of publication: Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Kiskin, Mikhail A.; Kolomzarov, Yuriy V.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3125 - 3133
• a: 11.053 ± 0.0014 Å
• b: 11.1076 ± 0.0014 Å
• c: 15.203 ± 0.003 Å
• α: 100.32 ± 0.002°
• β: 101.795 ± 0.002°
• γ: 106.355 ± 0.002°
• Cell volume: 1696.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No