Information card for entry 4104699

Structure parameters

• Formula: C35 H36 Cl2 F6 N5 O2 P Ru
• Calculated formula: C35 H36 Cl2 F6 N5 O2 P Ru
• SMILES: [P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.[Ru]123([N]4[C@H](COC=4c4c(cccc4)O3)C(C)C)([n]3cc(ccc3c3ccc(c[n]13)C)C)[n]1ccccc1c1cccc[n]21
• Title of publication: Chiral-Auxiliary-Mediated Asymmetric Synthesis of Tris-Heteroleptic Ruthenium Polypyridyl Complexes
• Authors of publication: Lei Gong; Seann P. Mulcahy; Klaus Harms; Eric Meggers
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9602 - 9603
• a: 15.2056 ± 0.0012 Å
• b: 13.6226 ± 0.0006 Å
• c: 36.577 ± 0.003 Å
• α: 90°
• β: 98.17 ± 0.006°
• γ: 90°
• Cell volume: 7499.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No