Information card for entry 4079102

Structure parameters

• Formula: C22 H30 Br Cu Mg O4
• Calculated formula: C22 H30 Br Cu Mg O4
• Title of publication: Functionalized Organocuprates: Structures of Lithium and Magnesium Grignard 2-Methoxyphenylcuprates
• Authors of publication: Bomparola, Roberta; Davies, Robert P.; Lal, Steven; White, Andrew J. P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 22
• Pages of publication: 7877
• a: 8.18331 ± 0.00006 Å
• b: 8.431 ± 0.00006 Å
• c: 33.1182 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2284.94 ± 0.03 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No