Information card for entry 4068079

Structure parameters

• Formula: C30 H62 Cl6 Mg4 O6
• Calculated formula: C30 H62 Cl6 Mg4 O6
• 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: 11.9019 ± 0.0012 Å
• b: 16.9005 ± 0.0016 Å
• c: 10.99 ± 0.001 Å
• α: 90°
• β: 103.972 ± 0.007°
• γ: 90°
• Cell volume: 2145.2 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No