Information card for entry 4327987

Structure parameters

• Formula: C15 H11 N O4 S4
• Calculated formula: C15 H11 N O4 S4
• SMILES: S1C(=CSC1=C1SC=CS1)c1cc(nc(C(=O)OC)c1)C(=O)OC
• Title of publication: In Solution Sensitization of Er(III) Luminescence by the 4-Tetrathiafulvalene-2,6-pyridinedicarboxylic Acid Dimethyl Antenna Ligand
• Authors of publication: Fabrice Pointillart; Adrien Bourdolle; Thomas Cauchy; Olivier Maury; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 978 - 984
• a: 5.56 ± 0.002 Å
• b: 9.074 ± 0.004 Å
• c: 33.529 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1691.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No