Information card for entry 4311644

Structure parameters

• Formula: C28 H28 Mo2 O10 S4
• Calculated formula: C28 H28 Mo2 O10 S4
• Title of publication: Thienyl Carboxylate Ligands Bound to and Bridging MM Quadruple Bonds, M = Mo or W: Models for Polythiophenes Incorporating MM Quadruple Bonds
• Authors of publication: Matthew J. Byrnes; Malcolm H. Chisholm; Robin J. H. Clark; Judith C. Gallucci; Christopher M. Hadad; Nathan J. Patmore
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6334 - 6344
• a: 10.19 ± 0.001 Å
• b: 9.942 ± 0.001 Å
• c: 15.699 ± 0.002 Å
• α: 90°
• β: 91.636 ± 0.001°
• γ: 90°
• Cell volume: 1589.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0271
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for all reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.0584
• Goodness-of-fit parameter for all reflections: 1.085
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No