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Information card for entry 4104699
Preview
Coordinates | 4104699.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H36 Cl2 F6 N5 O2 P Ru |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/4104699.html
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