Information card for entry 4303954

Structure parameters

• Formula: C74 H59 Cd2 N O P4 S4
• Calculated formula: C74 H59 Cd2 N O P4 S4
• SMILES: [Cd]123([O]=P(c4c(S1)cccc4)(c1ccccc1)c1ccccc1)[S]([Cd]14([S]2c2c([P]1(c1ccccc1)c1ccccc1)cccc2)Sc1c([P]4(c2ccccc2)c2ccccc2)cccc1)c1c([P]3(c2ccccc2)c2ccccc2)cccc1.N#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: 22.1791 ± 0.0018 Å
• b: 12.8523 ± 0.001 Å
• c: 24.002 ± 0.002 Å
• α: 90°
• β: 101.395 ± 0.002°
• γ: 90°
• Cell volume: 6707 ± 0.9 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: 0.1249
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No