Information card for entry 4068080

Structure parameters

• Formula: C16 H32 Cl2 Li2 O4
• Calculated formula: C16 H32 Cl2 Li2 O4
• SMILES: [Li]1([O]2CCCC2)([O]2CCCC2)[Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1
• Title of publication: An Approach to Pin Down the Solid-State Structure of the “Turbo Grignard”
• Authors of publication: Blasberg, Florian; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1001
• a: 9.635 ± 0.003 Å
• b: 11.43 ± 0.005 Å
• c: 9.69 ± 0.004 Å
• α: 90°
• β: 96.2 ± 0.03°
• γ: 90°
• Cell volume: 1060.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2575
• Residual factor for significantly intense reflections: 0.152
• Weighted residual factors for significantly intense reflections: 0.2743
• Weighted residual factors for all reflections included in the refinement: 0.3411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No