Information card for entry 7025506

Structure parameters

• Formula: C23 H19 F6 N5 O3 P Re
• Calculated formula: C23 H19 F6 N5 O3 P Re
• Title of publication: Chemical switching behaviour of tricarbonylrhenium(I) complexes of a new redox active 'pincer' ligand.
• Authors of publication: Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 13
• Pages of publication: 3167 - 3169
• a: 15.6722 ± 0.0007 Å
• b: 9.6375 ± 0.0004 Å
• c: 16.8562 ± 0.0007 Å
• α: 90°
• β: 103.315 ± 0.002°
• γ: 90°
• Cell volume: 2477.54 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No