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Information card for entry 4336425
Preview
Coordinates | 4336425.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H25 Br2 Fe N5 |
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Calculated formula | C21 H25 Br2 Fe N5 |
SMILES | [Fe]1234(Br)(Br)[n]5c(cccc5C[N]3(Cc3[n]4cccc3)C)C[N]1(Cc1[n]2cccc1)C |
Title of publication | Coordination Equilibria Between Seven- and Five-coordinate Iron(II) Complexes |
Authors of publication | Michaela Grau; Jason England; Rafael Torres Martin de Rosales; Henry S. Rzepa; Andrew J. P. White; George J. P. Britovsek |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 11867 - 11874 |
a | 8.7168 ± 0.0003 Å |
b | 15.3336 ± 0.0006 Å |
c | 16.8358 ± 0.0007 Å |
α | 85.049 ± 0.003° |
β | 89.833 ± 0.003° |
γ | 85.877 ± 0.003° |
Cell volume | 2236.06 ± 0.15 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0947 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.0767 |
Weighted residual factors for all reflections included in the refinement | 0.0847 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4336425.html
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