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Information card for entry 2240334
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| Coordinates | 2240334.cif |
|---|---|
| Structure factors | 2240334.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>fac</i>-trichlorido[tris(pyridin-2-yl-<i>N</i>)amine]chromium(III) |
|---|---|
| Formula | C15 H12 Cl3 Cr N4 |
| Calculated formula | C15 H12 Cl3 Cr N4 |
| SMILES | c1cccc2[n]1[Cr]1(Cl)([n]3ccccc3N2c2cccc[n]12)(Cl)Cl |
| Title of publication | Crystal structure of <i>fac</i>-trichlorido[tris(pyridin-2-yl-<i>N</i>)amine]chromium(III) |
| Authors of publication | Yamaguchi-Terasaki, Yukiko; Fujihara, Takashi; Nagasawa, Akira; Kaizaki, Sumio |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | 73 - 75 |
| a | 15.152 ± 0.013 Å |
| b | 13.704 ± 0.012 Å |
| c | 8.014 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1664 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.203 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240334.cif 2240334.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240334.cif 2240334.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240334.cif 2240334.hkl |
| 128884 | 2014-12-21 | cif/ hkl/ Adding structures of 2240334 via cif-deposit CGI script. |
2240334.cif 2240334.hkl |
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Users of the data should acknowledge the original authors of the
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