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Information card for entry 7011963
Preview
| Coordinates | 7011963.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H41 Cr F6 N O3 P |
|---|---|
| Calculated formula | C38 H41 Cr F6 N O3 P |
| Title of publication | Redox routes to arenechromium complexes of two-, three- and four-electron alkynes; structure and bonding in paramagnetic [Cr(CO)L(η-RCCR)(η-arene)]+ |
| Authors of publication | Christopher J. Adams; Ian M. Bartlett; Neil G. Connelly; David J. Harding; Owen D. Hayward; Antonio J. Martín; A. Guy Orpen; Michael J. Quayle; Philip H. Rieger |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 22 |
| Pages of publication | 4281 - 4288 |
| a | 11.176 ± 0.0017 Å |
| b | 22.284 ± 0.005 Å |
| c | 14.739 ± 0.002 Å |
| α | 90° |
| β | 104.917 ± 0.012° |
| γ | 90° |
| Cell volume | 3547 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.083 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1227 |
| Weighted residual factors for all reflections included in the refinement | 0.1405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011963.cif |
| 179823 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/19. |
7011963.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011963.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011963.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7011963.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011963.cif |
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