Information card for entry 4303961

Structure parameters

• Formula: C28 H39 Hg2 O P S2 Si2
• Calculated formula: C28 H39 Hg2 O P S2 Si2
• SMILES: [Hg](Sc1c(P(=O)(c2c(S[Hg]CC)c([Si](C)(C)C)ccc2)c2ccccc2)cccc1[Si](C)(C)C)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: 12.472 ± 0.003 Å
• b: 19.76 ± 0.005 Å
• c: 14.774 ± 0.004 Å
• α: 90°
• β: 111.26 ± 0.004°
• γ: 90°
• Cell volume: 3393.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0739
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No