Information card for entry 7015451

Structure parameters

• Formula: C88.76 H80.42 Cl2.82 Cu4 F12 O3.59 P6 S4
• Calculated formula: C88.7624 H80.412 Cl2.824 Cu4 F12 O3.5872 P6 S4
• 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: 12.0204 ± 0.0007 Å
• b: 14.5437 ± 0.0009 Å
• c: 15.1233 ± 0.0009 Å
• α: 71.942 ± 0.001°
• β: 71.271 ± 0.001°
• γ: 66.585 ± 0.001°
• Cell volume: 2246.5 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No