Information card for entry 7238360

Structure parameters

• Formula: C81 H76 Cl2 Cu2 F12 N4 O P6
• Calculated formula: C81 H76 Cl2 Cu2 F12 N4 O P6
• 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: 11.5635 ± 0.0017 Å
• b: 13.0399 ± 0.0017 Å
• c: 15.119 ± 0.002 Å
• α: 112.413 ± 0.01°
• β: 98.097 ± 0.011°
• γ: 91.294 ± 0.011°
• Cell volume: 2079.3 ± 0.5 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: 0.0615
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No