Information card for entry 4303959

Structure parameters

• Formula: C24 H31 Hg O2 P S Si
• Calculated formula: C24 H31 Hg O2 P S Si
• SMILES: [Hg](Sc1c(P(=O)(c2ccccc2)c2ccccc2)cccc1[Si](C)(C)C)CC.OC
• 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: 10.0294 ± 0.0018 Å
• b: 11.224 ± 0.002 Å
• c: 12.005 ± 0.002 Å
• α: 99.942 ± 0.003°
• β: 101.184 ± 0.003°
• γ: 91.568 ± 0.003°
• Cell volume: 1303.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No