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Information card for entry 7039401
Preview
Coordinates | 7039401.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H108 Fe2 N6 P2 |
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Calculated formula | C70 H108 Fe2 N6 P2 |
SMILES | [Fe]1([N]#[N][Fe]2[N](=P(C(C)C)(C(C)C)C3=C(N2c2c(cccc2C(C)C)C(C)C)CCC3)c2c(cccc2C(C)C)C(C)C)[N](=P(C(C)C)(C(C)C)C2=C(N1c1c(cccc1C(C)C)C(C)C)CCC2)c1c(cccc1C(C)C)C(C)C |
Title of publication | Low coordinate iron derivatives stabilized by a β-diketiminate mimic. Synthesis and coordination chemistry of enamidophosphinimine scaffolds to generate diiron dinitrogen complexes. |
Authors of publication | Hein, Nicholas M.; Suzuki, Tatsuya; Ogawa, Takahiko; Fryzuk, Michael D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 37 |
Pages of publication | 14697 - 14708 |
a | 10.399 ± 0.0006 Å |
b | 28.6698 ± 0.0015 Å |
c | 22.9617 ± 0.0013 Å |
α | 90° |
β | 100.92 ± 0.001° |
γ | 90° |
Cell volume | 6721.8 ± 0.6 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 5 |
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 | 0.0986 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.0833 |
Weighted residual factors for all reflections included in the refinement | 0.0965 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation probe | x-ray |
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/7039401.html
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Users of the data should acknowledge the original authors of the
structural data.