Information card for entry 7011945

Structure parameters

• Formula: C45 H42.5 I2 N2 O3.5 P2 Re S
• Calculated formula: C45 H41 I2 N2 O3.5 P2 Re S
• 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: 11.068 ± 0.016 Å
• b: 23.579 ± 0.026 Å
• c: 18.371 ± 0.024 Å
• α: 90°
• β: 96.26 ± 0.1°
• γ: 90°
• Cell volume: 4766 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No