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Information card for entry 7009641
Preview
| Coordinates | 7009641.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H29 Cr N O4 P2 |
|---|---|
| Calculated formula | C41 H29 Cr N O4 P2 |
| SMILES | [Cr]1([P](c2c(C=[N]1c1c(P(c3ccccc3)c3ccccc3)cccc1)cccc2)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Synthesis, structure and kinetics of Group 6 metal carbonyl complexes containing a new 'P2N' mixed donor multidentate ligand † |
| Authors of publication | Ainscough, Eric W.; Brodie, Andrew M.; Buckley, Paul D.; Burrell, Anthony K.; Kennedy, Steven M. F.; Waters, Joyce M. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 16 |
| Pages of publication | 2663 |
| a | 14.429 ± 0.003 Å |
| b | 29.433 ± 0.006 Å |
| c | 17.389 ± 0.003 Å |
| α | 90° |
| β | 108.4 ± 0.03° |
| γ | 90° |
| Cell volume | 7007 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1028 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179800 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/96. |
7009641.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009641.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009641.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7009641.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009641.cif |
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Users of the data should acknowledge the original authors of the
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