Information card for entry 4302244

Structure parameters

• Formula: C52 H33 Cl2 F18 Gd N9 O12 S12
• Calculated formula: C52 H33 Cl2 F18 Gd N9 O12 S12
• Title of publication: 4f Gadolinium(III) Complex Involving Tetrathiafulvalene-amido-2-pyrimidine-1-oxide as a Ligand
• Authors of publication: Fabrice Pointillart; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4631 - 4633
• a: 20.066 ± 0.005 Å
• b: 14.879 ± 0.005 Å
• c: 26.377 ± 0.005 Å
• α: 90°
• β: 107.297 ± 0.005°
• γ: 90°
• Cell volume: 7519 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2021
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.2505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No