Information card for entry 7025507

Structure parameters

• Formula: C24 H19 F3 N5 O6 Re S
• Calculated formula: C24 H19 F3 N5 O6 Re S
• SMILES: [Re]12([NH](c3c(n4[n]1ccc4)cc(cc3)C)c1c(n3[n]2ccc3)cc(cc1)C)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F
• 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: 8.1784 ± 0.0002 Å
• b: 18.4766 ± 0.0004 Å
• c: 17.1772 ± 0.0004 Å
• α: 90°
• β: 90.926 ± 0.001°
• γ: 90°
• Cell volume: 2595.29 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No