Information card for entry 7009024

Structure parameters

• Formula: C20 H30 Br2 Cl2 N10 Si
• Calculated formula: C20 H30 Br2 Cl2 N10 Si
• SMILES: C(#N)C.[Br-].c1[n](ccn1C)[Si](Cl)([n]1cn(cc1)C)(Cl)([n]1cn(C)cc1)[n]1cn(C)cc1.C(#N)C.[Br-]
• Title of publication: Halogen exchange and expulsion: ligand stabilized dihalogen silicon dications
• Authors of publication: Hensen, Karl; Mayr-Stein, Ralf; Stumpf, Thorsten; Pickel, Peter; Bolte, Michael; Fleischer, Holger
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 473
• a: 7.978 ± 0.001 Å
• b: 18.955 ± 0.001 Å
• c: 9.5847 ± 0.001 Å
• α: 90°
• β: 100.39 ± 0.01°
• γ: 90°
• Cell volume: 1425.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1022
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No