Information card for entry 7027255

Structure parameters

• Formula: C11 H9 Hg N S
• Calculated formula: C11 H9 Hg N S
• SMILES: [Hg](Sc1ncccc1)c1ccccc1
• Title of publication: Pyridine-2-thione derivatives of silver(I) and mercury(II): crystal structures of dimeric [bis(diphenylphosphino)methane][(1-oxo-pyridine-2-thionato)silver(I), [2-(benzylsulfanyl)pyridine 1-oxide]dichloromercury(II) and phenyl(pyridine-2-thionato)mercury(II) †
• Authors of publication: Lobana, Tarlok S.; Paul, Seema; Castineiras, Alfonso
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 11
• Pages of publication: 1819
• a: 30.135 ± 0.003 Å
• b: 6.7304 ± 0.0011 Å
• c: 23.061 ± 0.003 Å
• α: 90°
• β: 111.371 ± 0.009°
• γ: 90°
• Cell volume: 4355.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1953
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No