Information card for entry 1520600

Structure parameters

• Formula: C46 H70 N2 Si2
• Calculated formula: C46 H70 N2 Si2
• SMILES: [Si]([Si]=C1N(c2c(cccc2C(C)C)C(C)C)C(CC21CCCCC2)(C)C)=C1N(C(CC21CCCCC2)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: A soluble molecular variant of the semiconducting silicondiselenide
• Authors of publication: Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 5230
• a: 12.8 ± 0.03 Å
• b: 13.86 ± 0.04 Å
• c: 14.36 ± 0.02 Å
• α: 66.45 ± 0.07°
• β: 79.9 ± 0.04°
• γ: 67.84 ± 0.09°
• Cell volume: 2162 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.6358 Å
• Diffraction radiation type: monochromatedX-raysbeamlineX10SA@SLS
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No