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Information card for entry 7019295
Preview
| Coordinates | 7019295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H34 Cr N2 |
|---|---|
| Calculated formula | C31 H34 Cr N2 |
| SMILES | C1c2ccccc2N(c2ccc(cc2)C)[Cr]2345([N]=1c1c(cccc1C(C)C)C(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51 |
| Title of publication | Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry. |
| Authors of publication | Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 26 |
| Pages of publication | 7920 - 7930 |
| a | 9.2266 ± 0.0014 Å |
| b | 11.0286 ± 0.0016 Å |
| c | 13.5053 ± 0.0019 Å |
| α | 81.93 ± 0.007° |
| β | 82.478 ± 0.007° |
| γ | 72.311 ± 0.007° |
| Cell volume | 1290.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0631 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1094 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179896 (current) | 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 7/01/92. |
7019295.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019295.cif |
| 62834 | 2012-07-09 | cif/ Adding structures of 7019295, 7019296, 7019297, 7019298, 7019299, 7019300, 7019301, 7019302, 7019303 via cif-deposit CGI script. |
7019295.cif |
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Users of the data should acknowledge the original authors of the
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