Information card for entry 7011946

Structure parameters

• Formula: C14 H12 Mo N2 O6 S2
• Calculated formula: C14 H12 Mo N2 O6 S2
• SMILES: [Mo]12(Sc3[n]1cccc3C(=O)OC)(Sc1[n]2cccc1C(=O)OC)(=O)=O
• Title of publication: Coordination modes of 2-mercaptonicotinic acid: synthesis and crystal structures of palladium(II), platinum(II), rhenium(III) and molybdenum(VI) complexes
• Authors of publication: Susana M. O. Quintal; Helena I. S. Nogueira; Vitor Félix; Michael G. B. Drew
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4479 - 4487
• a: 8.128 ± 0.014 Å
• b: 28.616 ± 0.035 Å
• c: 14.941 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3475 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No