Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1101112
Preview
| Coordinates | 1101112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H30 Cl2 N2 Ru |
|---|---|
| Calculated formula | C21 H30 Cl2 N2 Ru |
| SMILES | [Ru]1(Cl)([NH]2[C@@H](CCC2)C[NH]1c1ccccc1)([cH]12)([cH]13)([c]21C)([cH]12)([cH]21)([c]13C(C)C).[Cl-] |
| Title of publication | A ruthenium(II) complex with p-cymene and (S)-2-(anilinomethyl)pyrrolidine |
| Authors of publication | Mustapha Aitali; Larbi El Firdoussi; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Pages of publication | 1088 - 1089 |
| a | 8.2107 ± 0.0003 Å |
| b | 9.3093 ± 0.0004 Å |
| c | 26.8707 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2053.89 ± 0.13 Å3 |
| Cell temperature | 295 ± 1 K |
| Ambient diffraction temperature | 295 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Duplicate of | 2011325 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1101112.cif |
| 125874 | 2014-10-25 | cod/ (saulius@kolibris) Adding DOIs to 358 Acta Cryst. C CIFs, found using ISSN, volume and first page. |
1101112.cif |
| 89820 | 2013-11-13 | cif/ Adding '_cod_duplicate_entry' tags to nine CIF files, that are marked as duplicates in the COD database, although not marked as duplicates in their body. |
1101112.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1101112.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. |
1101112.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/' |
1101112.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1101112.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. |
1101112.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) |
1101112.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.