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Information card for entry 1571366
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Coordinates | 1571366.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H68 Fe N4 Si3 |
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Calculated formula | C39 H68 Fe N4 Si3 |
Title of publication | Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>. |
Authors of publication | Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L. |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 10 |
Pages of publication | 3485 - 3494 |
a | 10.38 ± 0.0004 Å |
b | 11.5329 ± 0.0004 Å |
c | 20.2705 ± 0.0006 Å |
α | 76 ± 0.003° |
β | 82.547 ± 0.003° |
γ | 72.992 ± 0.003° |
Cell volume | 2247 ± 0.14 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 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 | 0.0488 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1182 |
Weighted residual factors for all reflections included in the refinement | 0.1211 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1571366.html
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