Information card for entry 4318727

Structure parameters

• Formula: C29 H20 Eu F18 N4 O8
• Calculated formula: C29 H20 Eu F18 N4 O8
• SMILES: [Eu]1234([O]=N5=C([N](=O)C(C5(C)C)(C)C)c5[n]1c1ccccc1[nH]5)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O4)C(F)(F)F
• Title of publication: Synthesis, Structures, and Magnetic and Optical Properties of a Series of Europium(III) and Gadolinium(III) Complexes with Chelating Nitronyl and Imino Nitroxide Free Radicals
• Authors of publication: Christophe Lescop; Dominique Luneau; Paul Rey; Guillaume Bussière; Christian Reber
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5566 - 5574
• a: 20.8076 ± 0.0008 Å
• b: 16.8121 ± 0.0007 Å
• c: 23.3231 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8158.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1258
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No