Information card for entry 4326472

Structure parameters

• Formula: C51 H38.75 Cd Cu O3 P2 S6
• Calculated formula: C51 H38.751 Cd Cu O3 P2 S6
• 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: 12.66 ± 0.005 Å
• b: 17.532 ± 0.005 Å
• c: 22.631 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.538 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5000 ± 3 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: 0.1346
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No