Information card for entry 4303953

Structure parameters

• Formula: C54 H39 O P3 S6 Zn3
• Calculated formula: C54 H39 O P3 S6 Zn3
• SMILES: [Zn]123Sc4c(P(=[O]3)(c3c(S[Zn]56[S]([Zn]78[S]2c2c([P]8(c8c(S7)cccc8)c7ccccc7)cccc2)c2c([P]6(c6c([S]15)cccc6)c1ccccc1)cccc2)cccc3)c1ccccc1)cccc4
• 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: 11.292 ± 0.011 Å
• b: 14.233 ± 0.014 Å
• c: 20.05 ± 0.02 Å
• α: 109.455 ± 0.015°
• β: 97.335 ± 0.016°
• γ: 99.492 ± 0.016°
• Cell volume: 2938 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No