Information card for entry 4081824

Structure parameters

• Formula: C36.5 H55 Al Cl2 Cu P3
• Calculated formula: C36.5 H55 Al Cl2 Cu P3
• SMILES: [Cu]12[P](c3c([Al](Cl)(c4ccccc4[P]1(C(C)C)C(C)C)c1ccccc1[P]2(C(C)C)C(C)C)cccc3)(C(C)C)C(C)C.C(Cl)Cl
• Title of publication: Activation of M‒Cl Bonds with Phosphine‒Alanes: Preparation and Characterization of Zwitterionic Gold and Copper Complexes
• Authors of publication: Sircoglou, Marie; Saffon, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6780
• a: 20.6742 ± 0.0007 Å
• b: 18.1957 ± 0.0007 Å
• c: 20.4797 ± 0.0007 Å
• α: 90°
• β: 100.112 ± 0.002°
• γ: 90°
• Cell volume: 7584.4 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.187
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No