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Information card for entry 4065174
Preview
Coordinates | 4065174.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H20 Fe I2 N4 |
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Calculated formula | C13 H20 Fe I2 N4 |
SMILES | [Fe]1(I)(I)=C2N(C=CN2CN2C=1N(C=C2)C(C)C)C(C)C |
Title of publication | Synthesis, Structures, and Reactivity of Chelating Bis-N-Heterocyclic-Carbene Complexes of Iron(II) |
Authors of publication | Zlatogorsky, Sergey; Muryn, Christopher A.; Tuna, Floriana; Evans, David J.; Ingleson, Michael J. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 18 |
Pages of publication | 4974 |
a | 9.2074 ± 0.0014 Å |
b | 14.5484 ± 0.0017 Å |
c | 14.4725 ± 0.0018 Å |
α | 90° |
β | 107.546 ± 0.015° |
γ | 90° |
Cell volume | 1848.4 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0836 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.088 |
Weighted residual factors for all reflections included in the refinement | 0.0936 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.828 |
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/4065174.html
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