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Information card for entry 4105275
Preview
Coordinates | 4105275.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H22 B F15 Fe Zr |
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Calculated formula | C39 H22 B F15 Fe Zr |
SMILES | [Zr]12345678([c]9%10[Fe]%11%12%13%14%15%16%17([cH]%18[cH]%14[cH]%15[cH]%16[cH]%13%18)[cH]%10[cH]%11[cH]%17[cH]9%12)([cH]9[cH]2[cH]7[cH]1[cH]49)[cH]1[cH]3[cH]5[cH]6[cH]81.Fc1c(c(F)c(F)c(c1F)F)[B-](c1c(F)c(F)c(c(F)c1F)F)(c1c(F)c(c(c(c1F)F)F)F)C |
Title of publication | Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment |
Authors of publication | Alberto Ramos; Edwin Otten; Douglas W. Stephan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 15610 - 15611 |
a | 13.177 ± 0.0011 Å |
b | 15.864 ± 0.0014 Å |
c | 16.2706 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3401.2 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0395 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0678 |
Weighted residual factors for all reflections included in the refinement | 0.0714 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4105275.html
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Users of the data should acknowledge the original authors of the
structural data.