Information card for entry 4303958

Structure parameters

• Formula: C20 H19 Hg O P S
• Calculated formula: C20 H19 Hg O P S
• SMILES: [Hg]1(Sc2c(P(=[O]1)(c1ccccc1)c1ccccc1)cccc2)CC
• Title of publication: Zinc(II), Cadmium(II), Mercury(II), and Ethylmercury(II) Complexes of Phosphinothiol Ligands
• Authors of publication: P. Fernández; A. Sousa-Pedrares; J. Romero; J. A. García-Vázquez; A. Sousa; P. Pérez-Lourido
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2121 - 2132
• a: 12.645 ± 0.006 Å
• b: 8.614 ± 0.004 Å
• c: 34.752 ± 0.016 Å
• α: 90°
• β: 96.035 ± 0.009°
• γ: 90°
• Cell volume: 3764 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1752
• Residual factor for significantly intense reflections: 0.1507
• Weighted residual factors for significantly intense reflections: 0.3329
• Weighted residual factors for all reflections included in the refinement: 0.3425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No