Information card for entry 4303960

Structure parameters

• Formula: C22 H23 Hg2 P S2
• Calculated formula: C22 H23 Hg2 P S2
• SMILES: [Hg]1(Sc2c([P]1(c1c(S[Hg]CC)cccc1)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: 8.7029 ± 0.0017 Å
• b: 11.429 ± 0.002 Å
• c: 12.764 ± 0.003 Å
• α: 110.978 ± 0.003°
• β: 97.386 ± 0.003°
• γ: 100.074 ± 0.003°
• Cell volume: 1141.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No