Information card for entry 4307395

Structure parameters

• Formula: C30 H46 Cu P3 Se
• Calculated formula: C30 H46 Cu P3 Se
• SMILES: [Cu]([SeH])([P](CC)(CC)c1ccccc1)([P](CC)(CC)c1ccccc1)[P](CC)(CC)c1ccccc1
• Title of publication: New Copper and Silver Trimethylsilylchalcogenolates
• Authors of publication: Aneta Borecki; John F. Corrigan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2478 - 2484
• a: 13.2461 ± 0.0003 Å
• b: 13.5048 ± 0.0003 Å
• c: 17.459 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3123.17 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No