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Information card for entry 7013271
Preview
| Coordinates | 7013271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H40 F6 N P3 Ru |
|---|---|
| Calculated formula | C48 H40 F6 N P3 Ru |
| SMILES | [Ru]1234([N]#Cc5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Cyanoacetylenes and cyanoacetylides: versatile ligands in organometallic chemistry |
| Authors of publication | Richard L. Cordiner; Deborah Corcoran; Dmitri S. Yufit; Andrés E. Goeta; Judith A. K. Howard; Paul J. Low |
| Journal of publication | Dalton Trans. |
| Year of publication | 2003 |
| Journal issue | 18 |
| Pages of publication | 3541 - 3549 |
| a | 15.6383 ± 0.0004 Å |
| b | 13.9146 ± 0.0003 Å |
| c | 20.1345 ± 0.0005 Å |
| α | 90° |
| β | 108.921 ± 0.001° |
| γ | 90° |
| Cell volume | 4144.55 ± 0.17 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.026 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections included in the refinement | 0.0602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7013271.cif |
| 179836 | 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 7/01/32. |
7013271.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013271.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013271.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013271.cif |
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Users of the data should acknowledge the original authors of the
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