Information card for entry 4079101

Structure parameters

• Formula: C50 H58 Cu4 Li2 O8
• Calculated formula: C50 H58 Cu4 Li2 O8
• SMILES: [Cu]1234[Cu]567[Cu]81([Cu]125[c]28c(cccc2)[O]([Li]([O](c2c7cccc2)C)([O](c2c1cccc2)C)[O]1CCCC1)C)c1c(cccc1)[O]([Li]([O](c1cccc[c]361)C)([O](c1c4cccc1)C)[O]1CCCC1)C
• 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: 17.96778 ± 0.00017 Å
• b: 17.6095 ± 0.00018 Å
• c: 30.1255 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9531.82 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.1018
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No