Information card for entry 7015453

Structure parameters

• Formula: C41 H32 Cl2 Cu2 O P2 S2
• Calculated formula: C41 H32 Cl2 Cu2 O P2 S2
• SMILES: C(=O)([CH]1=[CH]2c3ccccc3P(=[S][Cu]12Cl)(c1ccccc1)c1ccccc1)[CH]1=[CH]2c3ccccc3P(=[S][Cu]12Cl)(c1ccccc1)c1ccccc1
• Title of publication: Cu(I) complexes containing a multidentate and conformationally flexible dibenzylidene acetone ligand (dbathiophos): application in catalytic alkene cyclopropanation.
• Authors of publication: Jarvis, Amanda G.; Whitwood, Adrian C.; Fairlamb, Ian J. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3695 - 3702
• a: 29.431 ± 0.003 Å
• b: 8.9496 ± 0.001 Å
• c: 16.2751 ± 0.0018 Å
• α: 90°
• β: 115.307 ± 0.002°
• γ: 90°
• Cell volume: 3875.4 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No