Information card for entry 4318730

Structure parameters

• Formula: C27 H19 F18 Gd N3 O7
• Calculated formula: C27 H19 F18 Gd N3 O7
• SMILES: [Gd]1234([N]5=C([N](=O)C(C5(C)C)(C)C)c5[n]1cccc5)(OC(=CC(=[O]2)C(F)(F)F)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: 9.4053 ± 0.0005 Å
• b: 31.3293 ± 0.0016 Å
• c: 12.1898 ± 0.0006 Å
• α: 90°
• β: 98.461 ± 0.001°
• γ: 90°
• Cell volume: 3552.8 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.479
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No