Information card for entry 7015450

Structure parameters

• Formula: C43 H36 Cl4 O P2 S2
• Calculated formula: C43 H36 Cl4 O P2 S2
• 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: 24.539 ± 0.003 Å
• b: 9.8002 ± 0.001 Å
• c: 17.1991 ± 0.0017 Å
• α: 90°
• β: 90.768 ± 0.002°
• γ: 90°
• Cell volume: 4135.8 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0679
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No