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Information card for entry 4121251
Preview
Coordinates | 4121251.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H46 Fe N4 |
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Calculated formula | C37 H46 Fe N4 |
SMILES | C1N2C(=[Fe]34567(=C8N(C=CN18)c1c(cccc1C(C)C)C(C)C)[cH]1[cH]3[cH]5[cH]7[cH]6[cH]41)N(C=C2)c1c(cccc1C(C)C)C(C)C |
Title of publication | Bis-N-Heterocyclic Carbene (NHC) Stabilized η6-Arene Iron(0) Complexes: Synthesis, Structure, Reactivity, and Catalytic Activity |
Authors of publication | Burgert Blom; Gengwen Tan; Stephan Enthaler; Shigeyoshi Inoue; Jan Dirk Epping; Matthias Driess |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 18108 - 18120 |
a | 25.8165 ± 0.0004 Å |
b | 15.5331 ± 0.0002 Å |
c | 7.8898 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3163.89 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.0386 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0946 |
Weighted residual factors for all reflections included in the refinement | 0.0994 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4121251.html
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