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Information card for entry 4107122
Preview
Coordinates | 4107122.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H71 B Fe N2 Na O P3 Si |
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Calculated formula | C43 H71 B Fe N2 Na O P3 Si |
SMILES | [Fe]12345[P](C(C)C)(c6c(cccc6)[B]2([C]24=C([CH]4[Na]7([N]3=[N]7[Si](C)(C)C)([O]3CCCC3)[CH]=4C=[CH]52)P(C(C)C)C(C)C)c2c([P]1(C(C)C)C(C)C)cccc2)C(C)C |
Title of publication | N2 Functionalization at Iron Metallaboratranes |
Authors of publication | Marc-Etienne Moret; Jonas C. Peters |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 18118 - 18121 |
a | 20.6183 ± 0.0011 Å |
b | 11.3406 ± 0.0006 Å |
c | 19.2147 ± 0.001 Å |
α | 90° |
β | 90.439 ± 0.003° |
γ | 90° |
Cell volume | 4492.7 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
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 | 0.1186 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for significantly intense reflections | 0.0875 |
Weighted residual factors for all reflections included in the refinement | 0.1071 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4107122.html
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