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Information card for entry 4124384
Preview
Coordinates | 4124384.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H70 Cl4 Fe3 N6 O6 |
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Calculated formula | C50 H70 Cl4 Fe3 N6 O6 |
SMILES | [Fe]123N4Cc5c(c6CN7[Fe]8([O]1C=O)[O]([Fe]1(N(Cc(c6CC)c5CC)C(=CC(=[N]1Cc1c(c(C[N]8=C(C=C7C)C)c(c(C[N]3=C(C=C4C)C)c1CC)CC)CC)C)C)[O]2C=O)C=O)CC.C(Cl)Cl.C(Cl)Cl |
Title of publication | Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)). |
Authors of publication | Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Pages of publication | 150817071736007 |
a | 11.4622 ± 0.0009 Å |
b | 12.6992 ± 0.001 Å |
c | 18.1781 ± 0.0014 Å |
α | 76.6486 ± 0.0013° |
β | 89.7234 ± 0.0014° |
γ | 87.3469 ± 0.0014° |
Cell volume | 2571.7 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0715 |
Weighted residual factors for all reflections included in the refinement | 0.0754 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
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/4124384.html
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Users of the data should acknowledge the original authors of the
structural data.