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Information card for entry 8101988
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| Coordinates | 8101988.cif |
|---|
| Chemical name | dichloro(3-cyclopentadienyl-3-methyl-1-phenylbutyliden-2,6- dimethylphenylamino)chrom(III) |
|---|---|
| Formula | C24 H26 Cl2 Cr N |
| Calculated formula | C24 H26 Cl2 Cr N |
| SMILES | [Cr]12345(Cl)(Cl)[N](=C(c6ccccc6)CC(C)(C)[c]61[cH]2[cH]3[cH]4[cH]56)c1c(cccc1C)C |
| Title of publication | Crystal structure of dichloro(3-cyclopentadienyl-3-methyl-1-phenyl- butyliden-2,6-dimethylphenyl-amino)chromium(III), CrCl~2~(C~24~H~26~N) |
| Authors of publication | Steiner, G.; Wurst, K.; Bildstein, B.; Kopacka, H. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 303 - 304 |
| a | 11.5168 ± 0.0005 Å |
| b | 13.9721 ± 0.0006 Å |
| c | 14.1146 ± 0.0004 Å |
| α | 90° |
| β | 104.628 ± 0.002° |
| γ | 90° |
| Cell volume | 2197.61 ± 0.15 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 233 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0648 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0951 |
| 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 |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101988.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101988.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101988.cif |
| 12727 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101988 via cif-deposit CGI script. |
8101988.cif |
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Users of the data should acknowledge the original authors of the
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