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Information card for entry 4085923
Preview
Coordinates | 4085923.cif |
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Original paper (by DOI) | HTML |
Formula | C53 H63 Br2 Fe N3 |
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Calculated formula | C53 H63 Br2 Fe N3 |
SMILES | Br[Fe]1(Br)[N](=C(c2ccccc2)N1C1c2c(C=Cc3ccccc13)cccc2)C1c2c(C=Cc3ccccc13)cccc2.C(CC)C[N+](CCCC)(CCCC)CCCC |
Title of publication | Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application |
Authors of publication | Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 12 |
Pages of publication | 3079 |
a | 40.243 ± 0.0012 Å |
b | 15.3735 ± 0.0004 Å |
c | 17.0453 ± 0.0005 Å |
α | 90° |
β | 113.968 ± 0.004° |
γ | 90° |
Cell volume | 9636.2 ± 0.6 Å3 |
Cell temperature | 101.9 ± 0.4 K |
Ambient diffraction temperature | 101.9 ± 0.4 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0425 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0735 |
Weighted residual factors for all reflections included in the refinement | 0.0776 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
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/4085923.html
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