Information card for entry 7040828

Structure parameters

• Formula: C28 H23 Cl2 N3 S4 Si
• Calculated formula: C28 H23 Cl2 N3 S4 Si
• SMILES: Cl[Si]12(Cl)([S]=C(S1)N(c1ccccc1)c1ccccc1)[S]=C(S2)N(c1ccccc1)c1ccccc1.N#CC
• Title of publication: Neutral six-coordinate bis(dithiocarbamato)silicon(iv) complexes with an SiCl2S4skeleton
• Authors of publication: Baus, Johannes A.; Tacke, Reinhold
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.187 ± 0.0019 Å
• b: 11.779 ± 0.002 Å
• c: 12.474 ± 0.002 Å
• α: 82.74 ± 0.02°
• β: 80.73 ± 0.02°
• γ: 83.53 ± 0.02°
• Cell volume: 1458.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No