Information card for entry 7008308

Structure parameters

• Formula: C61 H50 Ag O3 P3 S
• Calculated formula: C61 H50 Ag O3 P3 S
• SMILES: [Ag]12(SC(=C\c3ccco3)/C(=[O]2)[OH]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New structural features in triphenylphosphinesilver(I) sulfanylcarboxylates.
• Authors of publication: Barreiro, Elena; Casas, José S; Couce, Maria D.; Sánchez, Agustín; Sordo, José; Varela, José M; Vázquez-López, Ezequiel M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1707 - 1715
• a: 12.2174 ± 0.0016 Å
• b: 20.525 ± 0.003 Å
• c: 20.943 ± 0.003 Å
• α: 90°
• β: 95.79 ± 0.003°
• γ: 90°
• Cell volume: 5224.9 ± 1.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No