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Information card for entry 4325358
Preview
Coordinates | 4325358.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C116 H117 B Co F15 N2 O4 Si U |
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Calculated formula | C116 H89 B Co F15 N2 O4 Si U |
SMILES | CCCCCC.CCCCCC.[U]12(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)(O[B](c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)(OC(=CC(=[N]2c2cc(cc(c2)C(C)(C)C)C(C)(C)C)c2ccccc2)c2ccccc2)[N](c2cc(cc(c2)C(C)(C)C)C(C)(C)C)=C(c2ccccc2)C=C(O1)c1ccccc1.[Co]12345678([cH]9[cH]5[cH]4[cH]8[cH]39)[cH]3[cH]1[cH]7[cH]2[cH]63 |
Title of publication | Borane-Mediated Silylation of a Metal-Oxo Ligand |
Authors of publication | David D. Schnaars; Guang Wu; Trevor W. Hayton |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4695 - 4697 |
a | 16.581 ± 0.002 Å |
b | 30.018 ± 0.004 Å |
c | 20.994 ± 0.003 Å |
α | 90° |
β | 90.449 ± 0.004° |
γ | 90° |
Cell volume | 10449 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 9 |
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 | 0.1895 |
Residual factor for significantly intense reflections | 0.1336 |
Weighted residual factors for significantly intense reflections | 0.2331 |
Weighted residual factors for all reflections included in the refinement | 0.2542 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.293 |
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/4325358.html
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