Information card for entry 2010648

Structure parameters

• Chemical name: (Dicyclohexyldithiophosphinato-S,S')-[2-(2-pyridyl-N)phenyl]mercury(II)
• Formula: C23 H30 Hg N P S2
• Calculated formula: C23 H30 Hg N P S2
• SMILES: [n]12ccccc1c1c(cccc1)[Hg]2SP(C1CCCCC1)(C1CCCCC1)=S
• Title of publication: (Dicyclohexyldithiophosphinato-<i>S</i>,<i>S</i>')[2-(2-pyridyl-<i>N</i>)phenyl]mercury(II)
• Authors of publication: Casas, José S.; Castellano, Eduardo E.; García Tasende, M.S.; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.; Zukerman-Schpector, Julio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 182 - 183
• a: 14.923 ± 0.002 Å
• b: 9.9557 ± 0.001 Å
• c: 15.728 ± 0.002 Å
• α: 90°
• β: 95.088 ± 0.01°
• γ: 90°
• Cell volume: 2327.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes