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Information card for entry 4065179
Preview
Coordinates | 4065179.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H43 Fe I N4 S |
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Calculated formula | C32 H43 Fe I N4 S |
SMILES | [Fe]1(I)(SC)=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)CN2C=1N(C=C2)c1c(cccc1C(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 | 12.7218 ± 0.0014 Å |
b | 18.5715 ± 0.0014 Å |
c | 14.624 ± 0.002 Å |
α | 90° |
β | 107.732 ± 0.013° |
γ | 90° |
Cell volume | 3291 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1983 |
Residual factor for significantly intense reflections | 0.1206 |
Weighted residual factors for significantly intense reflections | 0.2891 |
Weighted residual factors for all reflections included in the refinement | 0.3482 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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