Information card for entry 4125323

Structure parameters

• Formula: C24 H20 S6 Si4
• Calculated formula: C24 H20 S6 Si4
• SMILES: c1(ccccc1)[Si]12S[Si]3(c4ccccc4)S[Si](c4ccccc4)(S1)S[Si](c1ccccc1)(S2)S3
• Title of publication: Organotetrel Chalcogenide Clusters: Between Strong Second-Harmonic and White-Light Continuum Generation
• Authors of publication: Rosemann, Nils W.; Eußner, Jens P.; Dornsiepen, Eike; Chatterjee, Sangam; Dehnen, Stefanie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• a: 10.2415 ± 0.0003 Å
• b: 11.9566 ± 0.0005 Å
• c: 23.1774 ± 0.0008 Å
• α: 90°
• β: 93.17 ± 0.003°
• γ: 90°
• Cell volume: 2833.81 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No