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Information card for entry 4079419
Preview
Coordinates | 4079419.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H45 Cl4 Fe N O2 P Rh S |
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Calculated formula | C41 H45 Cl4 Fe N O2 P Rh S |
SMILES | [Rh]1234(Cl)(Cl)([P]([c]56[Fe]789%10%11%12%13([c]5([cH]7[cH]8[cH]69)CNS(=O)(=O)c5ccc(cc5)C)[cH]5[cH]%10[cH]%11[cH]%12[cH]%135)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.C(Cl)Cl |
Title of publication | Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes |
Authors of publication | Wei, Muh-Mei; Garc\?ía-Melchor, Max; Daran, Jean-Claude; Audin, Catherine; Lledós, Agustí; Poli, Rinaldo; Deydier, Eric; Manoury, Eric |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 18 |
Pages of publication | 6669 |
a | 9.9385 ± 0.0003 Å |
b | 19.6894 ± 0.0005 Å |
c | 10.2648 ± 0.0003 Å |
α | 90° |
β | 98.824 ± 0.003° |
γ | 90° |
Cell volume | 1984.87 ± 0.1 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 9 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0341 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.071 |
Weighted residual factors for all reflections included in the refinement | 0.0731 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4079419.html
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