Information card for entry 4104698

Structure parameters

• Formula: C44 H54 F12 N6 O P2 Ru
• Calculated formula: C44 H54 F12 N6 O P2 Ru
• SMILES: c1cc(cc2c3cc(cc[n]3[Ru]34([n]12)([n]1cc(ccc1c1ccc(c[n]31)C)C)[n]1ccccc1c1cccc[n]41)C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC
• 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: 10.1185 ± 0.0006 Å
• b: 12.5498 ± 0.0006 Å
• c: 19.3212 ± 0.0014 Å
• α: 90°
• β: 102.632 ± 0.005°
• γ: 90°
• Cell volume: 2394.1 ± 0.3 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: 0.075
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No