Information card for entry 4303955

Structure parameters

• Formula: C50 H42 N4 P2 S4 Zn2
• Calculated formula: C50 H42 N4 P2 S4 Zn2
• SMILES: [Zn]12(Sc3c([P]2(c2c(S[Zn]4(Sc5c([P]4(c4c(S1)cccc4)c1ccccc1)cccc5)[n]1ccccc1)cccc2)c1ccccc1)cccc3)[n]1ccccc1.N#CC.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: 11.283 ± 0.002 Å
• b: 18.627 ± 0.004 Å
• c: 23.29 ± 0.004 Å
• α: 90°
• β: 103.548 ± 0.004°
• γ: 90°
• Cell volume: 4758.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0873
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No