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Information card for entry 7025447
Preview
Coordinates | 7025447.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H42 Cl2 Fe N10 O8 |
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Calculated formula | C36 H42 Cl2 Fe N10 O8 |
SMILES | CN(c1ccccc1)[N]1[Fe]2([N]#CC)([n]3ccccc3C=1C)([n]1ccccc1C(C)=[N]2N(C)c1ccccc1)[N]#CC.N#CC.[O-]Cl(=O)(=O)=O.N#CC.[O-]Cl(=O)(=O)=O |
Title of publication | fac-Specific syntheses of homochiral [Fe(NN)3]2+ complexes (NN = pyridine keto-hydrazone); origins of the stereoselectivity. |
Authors of publication | Sebli, Cynthia Paul; Howson, Suzanne E.; Clarkson, Guy J.; Scott, Peter |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 18 |
Pages of publication | 4447 - 4454 |
a | 12.0681 ± 0.0006 Å |
b | 16.858 ± 0.0012 Å |
c | 19.7972 ± 0.0009 Å |
α | 90° |
β | 104.057 ± 0.005° |
γ | 90° |
Cell volume | 3907 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0571 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.0966 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.901 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7025447.html
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