Information card for entry 7107892

Structure parameters

• Formula: C98 H158 Br2 Mg2 O2 Si4
• Calculated formula: C98 H158 Br2 Mg2 O2 Si4
• SMILES: [Br]1[Mg]([O](CC)CC)([Si](=[Si](c2c(C(C)C)cc(cc2C(C)C)C(C)C)c2c(cc(cc2C(C)C)C(C)C)C(C)C)c2c(cc(cc2C(C)C)C(C)C)C(C)C)[Br][Mg]1([O](CC)CC)[Si](=[Si](c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Transmetallation reactions of a lithium disilenide
• Authors of publication: Michael J. Cowley; Kai Abersfelder; Andrew J. P. White; Moumita Majumdar; David Scheschkewitz
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6595
• a: 16.13255 ± 0.00011 Å
• b: 10.7456 ± 0.00007 Å
• c: 29.85162 ± 0.00018 Å
• α: 90°
• β: 96.8834 ± 0.0006°
• γ: 90°
• Cell volume: 5137.6 ± 0.06 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: 0.0374
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No