Information card for entry 4303962

Structure parameters

• Formula: C52 H68 Hg3 O2 P2 S4 Si4
• Calculated formula: C52 H68 Hg3 O2 P2 S4 Si4
• SMILES: [Hg]1(Sc2c(P3(=[O]1[Hg](Sc1c3cccc1[Si](C)(C)C)Sc1c(P(=O)(c3c(S[Hg]CC)c([Si](C)(C)C)ccc3)c3ccccc3)cccc1[Si](C)(C)C)c1ccccc1)cccc2[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: 11.5787 ± 0.0017 Å
• b: 28.822 ± 0.004 Å
• c: 20.742 ± 0.003 Å
• α: 90°
• β: 101.891 ± 0.004°
• γ: 90°
• Cell volume: 6773.5 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No