Information card for entry 7041307

Structure parameters

• Formula: C12 H28 Br2 Mg O5 Si2
• Calculated formula: C12 H28 Br2 Mg O5 Si2
• SMILES: Br[Mg]1234(Br)[O]5CC[O]1[Si]([Si]([O]3CC[O]2CC[O]4CC5)(C)C)(C)C
• Title of publication: A structural study of alkaline earth metal complexes with hybrid disila-crown ethers
• Authors of publication: Dankert, Fabian; Reuter, Kirsten; Donsbach, Carsten; von Hänisch, Carsten
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.8339 ± 0.0006 Å
• b: 14.1089 ± 0.0007 Å
• c: 27.7507 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4241.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No