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Information card for entry 4069314
Preview
Coordinates | 4069314.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H48 Cl4 Fe N4 O4 Pd S2 |
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Calculated formula | C54 Cl2 Fe N4 O4 Pd S2 |
SMILES | [Pd]1(Cl)(Cl)[N]2=C(N(S(=O)(=O)c3ccc(cc3)C)[C@@H]([C@H]2c2ccccc2)c2ccccc2)[c]23[cH]4[Fe]56789%102([c]2([cH]5[cH]6[cH]7[cH]82)C2=[N]1[C@@H]([C@H](N2S(=O)(=O)c1ccc(cc1)C)c1ccccc1)c1ccccc1)[cH]([cH]3%10)[cH]49 |
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 | 13.1386 ± 0.0014 Å |
b | 17.9548 ± 0.0017 Å |
c | 21.9083 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5168.2 ± 0.9 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 2 K |
Number of distinct elements | 8 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0456 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.0869 |
Weighted residual factors for all reflections included in the refinement | 0.0915 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.7107 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/4069314.html
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Users of the data should acknowledge the original authors of the
structural data.