Information card for entry 4105849

Structure parameters

• Formula: C41 H42 Cl6 Cu Ga P2 Si2
• Calculated formula: C41 H42 Cl6 Cu Ga P2 Si2
• SMILES: [Cu]1[P](c2c([Si]([Si](C)(C)c3c([P]1(c1ccccc1)c1ccccc1)cccc3)(C)C)cccc2)(c1ccccc1)c1ccccc1.[Ga](Cl)([Cl-])(Cl)Cl.C(Cl)Cl
• Title of publication: A Crystalline σ Complex of Copper
• Authors of publication: Pauline Gualco; Abderrahmane Amgoune; Karinne Miqueu; Sonia Ladeira; Didier Bourissou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 4257 - 4259
• a: 11.3864 ± 0.0003 Å
• b: 13.1062 ± 0.0003 Å
• c: 16.1426 ± 0.0004 Å
• α: 74.488 ± 0.002°
• β: 82.906 ± 0.002°
• γ: 75.135 ± 0.002°
• Cell volume: 2239.67 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No