Information card for entry 4330412

Structure parameters

• Formula: C41 H32 F6 N5 O2 P Ru
• Calculated formula: C41 H32 F6 N5 O2 P Ru
• SMILES: c12ccccc1ccc1c3ccc4c(cccc4)[n]3[Ru]34([n]21)([n]1c2ccccc2ccc1c1ccc2c(cccc2)[n]31)[NH]1[C@H](C(=O)O4)CCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Proline as Chiral Auxiliary for the Economical Asymmetric Synthesis of Ruthenium(II) Polypyridyl Complexes
• Authors of publication: Chen Fu; Marianne Wenzel; Elisabeth Treutlein; Klaus Harms; Eric Meggers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10004 - 10011
• a: 14.0011 ± 0.0005 Å
• b: 18.2927 ± 0.0006 Å
• c: 14.4932 ± 0.0005 Å
• α: 90°
• β: 106.071 ± 0.003°
• γ: 90°
• Cell volume: 3566.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 0.688
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No