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Information card for entry 4330555
Preview
Coordinates | 4330555.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H52 Cl Co N6 O8 |
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Calculated formula | C38 H52 Cl Co N6 O8 |
SMILES | [Co]123(Oc4c(cc(OC)cc4C(C)(C)C)C=[N]3[C@H]3[C@H]([N]2=Cc2c(O1)c(cc(OC)c2)C(C)(C)C)CCCC3)([n]1cn(cc1)C)[n]1cn(C)cc1.Cl(=O)(=O)(=O)[O-] |
Title of publication | Ligand Contributions to the Electronic Structures of the Oxidized Cobalt(II) salen Complexes |
Authors of publication | Amélie Kochem; Hussein Kanso; Benoit Baptiste; Himanshu Arora; Christian Philouze; Olivier Jarjayes; Hervé Vezin; Dominique Luneau; Maylis Orio; Fabrice Thomas |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 10557 - 10571 |
a | 9.2065 ± 0.0018 Å |
b | 19.005 ± 0.005 Å |
c | 22.744 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3979.5 ± 1.8 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 6 |
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 | 0.0602 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1018 |
Weighted residual factors for all reflections included in the refinement | 0.1081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation probe | x-ray |
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/4330555.html
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