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Information card for entry 4105766
Preview
Coordinates | 4105766.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H69 Fe3 N7 Si3 |
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Calculated formula | C43 H69 Fe3 N7 Si3 |
SMILES | [Fe]12345[Fe]6789[Fe]%10%111([N]7(C1CC([N]26c2ccccc2N4[Si](C)(C)C(C)(C)C)CC([N]3%10c2ccccc2N%11[Si](C)(C)C(C)(C)C)C1)c1ccccc1N8[Si](C)(C)C(C)(C)C)[N]59C |
Title of publication | Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]- |
Authors of publication | Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 3336 - 3338 |
a | 10.057 ± 0.002 Å |
b | 11.562 ± 0.003 Å |
c | 20.327 ± 0.004 Å |
α | 82.832 ± 0.004° |
β | 89.866 ± 0.004° |
γ | 89.039 ± 0.004° |
Cell volume | 2344.8 ± 0.9 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2186 |
Residual factor for significantly intense reflections | 0.1196 |
Weighted residual factors for significantly intense reflections | 0.275 |
Weighted residual factors for all reflections included in the refinement | 0.3115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4105766.html
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