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Information card for entry 4115166
Preview
Coordinates | 4115166.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H51 B Co N2 P3 |
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Calculated formula | C58 H51 B Co N2 P3 |
SMILES | [Co]12([P](c3ccccc3)(c3ccccc3)C[B](C[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)[N]#N=C(c1ccccc1)c1ccccc1 |
Title of publication | Oxidative Group Transfer to Co(I) Affords a Terminal Co(III) Imido Complex |
Authors of publication | David M. Jenkins; Theodore A. Betley; Jonas C. Peters |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 11238 - 11239 |
a | 13.1284 ± 0.0008 Å |
b | 16.5975 ± 0.0011 Å |
c | 21.8205 ± 0.0014 Å |
α | 90° |
β | 97.168 ± 0.001° |
γ | 90° |
Cell volume | 4717.5 ± 0.5 Å3 |
Cell temperature | 98 ± 2 K |
Ambient diffraction temperature | 98 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0826 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.0693 |
Weighted residual factors for all reflections included in the refinement | 0.0736 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.572 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178922 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/51. |
4115166.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115166.cif |
68595 | 2012-11-07 | cif/ Adding structures of 4115166 via cif-deposit CGI script. |
4115166.cif |
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Users of the data should acknowledge the original authors of the
structural data.