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Information card for entry 2239670
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| Coordinates | 2239670.cif |
|---|---|
| Structure factors | 2239670.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis[<i>trans</i>-difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III)] sodium tetrachloridozincate perchlorate |
|---|---|
| Formula | C40 H40 Cl5 Cr2 F4 N8 Na O4 Zn |
| Calculated formula | C40 H40 Cl5 Cr2 F4 N8 Na O4 Zn |
| SMILES | c1cccc[n]1[Cr](F)(F)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.F[Cr](F)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.Cl[Zn](Cl)([Cl-])[Cl-].[Na+].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Bis[<i>trans</i>-difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III)] sodium tetrachloridozincate perchlorate from synchrotron data |
| Authors of publication | Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | m280 |
| a | 25.397 ± 0.005 Å |
| b | 14.6 ± 0.003 Å |
| c | 25.51 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9459 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.62998 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239670.cif 2239670.hkl |
| 181315 | 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 2/23/96. |
2239670.cif 2239670.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. |
2239670.cif 2239670.hkl |
| 118107 | 2014-06-26 | cif/ hkl/ Adding structures of 2239670 via cif-deposit CGI script. |
2239670.cif 2239670.hkl |
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