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Information card for entry 4000048
Preview
| Coordinates | 4000048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(N-pentadecylpyridinium)tetrachlorocuprate(II) |
|---|---|
| Formula | C40 H72 Cl4 Cu N2 |
| Calculated formula | C20 H36 Cl2.003 Cu0.501 N |
| SMILES | Cl[Cu]([Cl-])([Cl-])Cl.CCCCCCCCCCCCCCC[n+]1ccccc1.CCCCCCCCCCCCCCC[n+]1ccccc1 |
| Title of publication | A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals |
| Authors of publication | Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2001 |
| Journal volume | 13 |
| Journal issue | 6 |
| Pages of publication | 2032 - 2041 |
| a | 40.131 ± 0.008 Å |
| b | 7.9554 ± 0.0016 Å |
| c | 7.2309 ± 0.0014 Å |
| α | 90° |
| β | 91.71 ± 0.03° |
| γ | 90° |
| Cell volume | 2307.5 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1277 |
| Residual factor for significantly intense reflections | 0.0797 |
| Weighted residual factors for significantly intense reflections | 0.2465 |
| Weighted residual factors for all reflections included in the refinement | 0.2803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203582 (current) | 2017-11-26 | cif/4/00/00/ Updating bibliography in entries 4000031, 4000033-4000060. |
4000048.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4000048.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4000048.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4000048.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
4000048.cif |
| 136 | 2008-02-21 | 10 files corrected. |
4000048.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4000048.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4000048.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4000048.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4000048.cif |
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Users of the data should acknowledge the original authors of the
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