Information card for entry 7011944

Structure parameters

• Formula: C36 H40 N3 O5 P Pt S2
• Calculated formula: C36 H38 N3 O5 P Pt S2
• SMILES: [Pd]1([n]2c(c(ccc2)C(=O)O)S1)(Sc1ncccc1C(=O)O)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N(CC)(CC)CC.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: 10.39 ± 0.015 Å
• b: 17.781 ± 0.02 Å
• c: 11.553 ± 0.015 Å
• α: 90°
• β: 115.54 ± 0.01°
• γ: 90°
• Cell volume: 1926 ± 4 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: 0.0546
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No