Information card for entry 7011943

Structure parameters

• Formula: C30.5 H25 N2 O4.5 P Pd S2
• Calculated formula: C30.5 H25 N2 O4.5 P Pd S2
• 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: 10.177 ± 0.014 Å
• b: 17.733 ± 0.027 Å
• c: 11.431 ± 0.016 Å
• α: 90°
• β: 115.72 ± 0.01°
• γ: 90°
• Cell volume: 1859 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No