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Information card for entry 2100014
Preview
| Coordinates | 2100014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | dichloromethane |
|---|---|
| Formula | C H2 Cl2 |
| Calculated formula | C H2 Cl2 |
| SMILES | C(Cl)Cl |
| Title of publication | In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane |
| Authors of publication | Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 2005 |
| Journal volume | 61 |
| Pages of publication | 595 - 600 |
| a | 3.984 ± 0.001 Å |
| b | 7.863 ± 0.002 Å |
| c | 9.357 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 293.12 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2100014.cif |
| 277834 | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
2100014.cif |
| 201972 | 2017-10-13 | cif/ Marking COD entries in range 2/10 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2100014.cif |
| 128556 | 2014-12-12 | cif/2/ (saulius@koala.ibt.lt) Adding DOI to COD entries 2100014, 2100015, 2100285 and 2100286. |
2100014.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2100014.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2100014.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. |
2100014.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/' |
2100014.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2100014.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. |
2100014.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) |
2100014.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
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