Information card for entry 7112097

Structure parameters

• Formula: C62 H64 F24 N18 P4 Ru2
• Calculated formula: C62 H64 F24 N18 P4 Ru2
• SMILES: [Ru]123([n]4c[n]5[Ru]67([n]8ccccc8c8[n]6cccc8)([n]6ccccc6c6[n]7cccc6)[N]6CCCN7CCCN(c5cc4N4CCCN5CCC[N]3=C45)C=67)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Enhanced stereoselectivity in a di-Ru(II) complex of an achiral bis-bidentate ligand
• Authors of publication: Amlan K. Pal; Philippe D. Ducharme; Garry S. Hanan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3303
• a: 22.038 ± 0.002 Å
• b: 14.0363 ± 0.0013 Å
• c: 25.925 ± 0.003 Å
• α: 90°
• β: 112.384 ± 0.002°
• γ: 90°
• Cell volume: 7415.2 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No