Information card for entry 7238356

Structure parameters

• Formula: C32 H27 Cl2 Cu F6 N2 P2 S
• Calculated formula: C32 H27 Cl2 Cu F6 N2 P2 S
• Title of publication: Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions
• Authors of publication: Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2742
• a: 8.9997 ± 0.0016 Å
• b: 11.507 ± 0.002 Å
• c: 16.728 ± 0.004 Å
• α: 78.417 ± 0.016°
• β: 86.517 ± 0.016°
• γ: 78.32 ± 0.015°
• Cell volume: 1661.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0456
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No