Information card for entry 7204764

Structure parameters

• Formula: C13 H11 N O2 S3
• Calculated formula: C13 H11 N O2 S3
• Title of publication: Electrogenerated poly(thiophenes) derivatized by bipyridine ligands and metal complexes
• Authors of publication: Bruno Jousselme; Philippe Blanchard; Maïtena Oçafrain; Magali Allain; Eric Levillain; Jean Roncali
• Journal of publication: J. Mater. Chem.
• Year of publication: 2004
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 421 - 427
• a: 12.667 ± 0.006 Å
• b: 4.874 ± 0.005 Å
• c: 22.85 ± 0.01 Å
• α: 90°
• β: 103.26 ± 0.03°
• γ: 90°
• Cell volume: 1373.1 ± 1.7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• 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: 0.133
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections: 1.625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No