Information card for entry 4512096

Structure parameters

• Common name: 3 in manuscript
• Formula: C40 H50 Br2 Si2
• Calculated formula: C40 H50 Br2 Si2
• Title of publication: Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?
• Authors of publication: Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 5962
• a: 14.5988 ± 0.0011 Å
• b: 18.3712 ± 0.0013 Å
• c: 29.645 ± 0.002 Å
• α: 75.894 ± 0.002°
• β: 82.961 ± 0.002°
• γ: 89.936 ± 0.002°
• Cell volume: 7649.4 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1417
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No