Information card for entry 4326475

Structure parameters

• Formula: C57 H45 Ag Cd O3 P2 S3
• Calculated formula: C57 H45 Ag Cd O3 P2 S3
• SMILES: [Ag]1([S]2[Cd]34([S]1C(=[O]4)c1ccccc1)(SC(=[O]3)c1ccccc1)[O]=C2c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides
• Authors of publication: Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10056 - 10069
• a: 12.7887 ± 0.0002 Å
• b: 14.7387 ± 0.0002 Å
• c: 14.1904 ± 0.0003 Å
• α: 90°
• β: 107.071 ± 0.002°
• γ: 90°
• Cell volume: 2556.89 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No