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Information card for entry 2238571
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| Coordinates | 2238571.cif |
|---|---|
| Structure factors | 2238571.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III) perchlorate |
|---|---|
| Formula | C20 H20 Cl Cr F2 N4 O4 |
| Calculated formula | C20 H20 Cl Cr F2 N4 O4 |
| SMILES | F[Cr](F)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[O-]Cl(=O)(=O)=O |
| Title of publication | <i>trans</i>-Difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III) perchlorate from synchrotron radiation |
| Authors of publication | Moon, Dohyun; Choi, Jong-Ha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | m514 |
| a | 9.569 ± 0.0019 Å |
| b | 10.615 ± 0.002 Å |
| c | 12.663 ± 0.003 Å |
| α | 68.46 ± 0.03° |
| β | 68.31 ± 0.03° |
| γ | 79.38 ± 0.03° |
| Cell volume | 1109.9 ± 0.5 Å3 |
| Cell temperature | 99 ± 2 K |
| Ambient diffraction temperature | 99 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.63001 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181307 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/85. |
2238571.cif 2238571.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238571.cif 2238571.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238571.cif 2238571.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238571.cif 2238571.hkl |
| 88715 | 2013-10-02 | cif/ Adding structures of 2238571 via cif-deposit CGI script. |
2238571.cif |
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Users of the data should acknowledge the original authors of the
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