Information card for entry 7041351

Structure parameters

• Formula: C34 H44 Cu2 F12 N6 O2 P4
• Calculated formula: C34 H44 Cu2 F12 N6 O2 P4
• SMILES: C(C)[N]1(CC)[P@]2(Oc3ccccc3)c3[n](cccc3)[Cu@@]1([N]#CC)[P@]1([N](CC)(CC)[Cu@@]2([n]2c1cccc2)[N]#CC)Oc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Multidentate 2-pyridyl-phosphine ligands - towards ligand tuning and chirality.
• Authors of publication: Hanf, S.; García-Rodríguez, R; Feldmann, S.; Bond, A. D.; Hey-Hawkins, E; Wright, D. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 814 - 824
• a: 10.351 ± 0.0002 Å
• b: 10.4256 ± 0.0002 Å
• c: 20.5378 ± 0.0004 Å
• α: 90°
• β: 92.868 ± 0.001°
• γ: 90°
• Cell volume: 2213.57 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0755
• 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