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Information card for entry 4069315
Preview
Coordinates | 4069315.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H52 Cl8 Fe N4 O4 Pd S2 |
---|---|
Calculated formula | C54 Cl2 Fe N4 O4 Pd S2 |
SMILES | Cl[Pd]1([N]2[C@@H]([C@H](N(C=2[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]9[cH]8[cH]7[cH]23)C2=[N]1[C@@H]([C@H](N2S(=O)(=O)c1ccc(cc1)C)c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(cc1)C)c1ccccc1)c1ccccc1)Cl |
Title of publication | Diastereoselective Bis-Cyclopalladation of Ferrocene-1,1′-diyl Bis-Imidazolines: Translation of Central via Axial into Planar Chirality |
Authors of publication | Jautze, Sascha; Diethelm, Stefan; Frey, Wolfgang; Peters, René |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 7 |
Pages of publication | 2001 |
a | 11.347 ± 0.003 Å |
b | 16.188 ± 0.005 Å |
c | 16.506 ± 0.005 Å |
α | 90° |
β | 105.44 ± 0.02° |
γ | 90° |
Cell volume | 2922.5 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1707 |
Residual factor for significantly intense reflections | 0.1022 |
Weighted residual factors for significantly intense reflections | 0.1947 |
Weighted residual factors for all reflections included in the refinement | 0.2228 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4069315.html
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Users of the data should acknowledge the original authors of the
structural data.