Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4062451
Preview
| Coordinates | 4062451.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ti(Ch2Ph)2(C7H12N3)2] |
|---|---|
| Formula | C28 H38 N6 Ti |
| Calculated formula | C28 H38 N6 Ti |
| SMILES | [Ti]12(N3C4=[N]1CCCN4CCC3)(N1C3=[N]2CCCN3CCC1)(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | Exploration of the Suitability of Bicyclic Guanidinates as Ligands in Catalytic Chemistry Mediated by Titanium |
| Authors of publication | Coles, Martyn P.; Hitchcock, Peter B. |
| Journal of publication | Organometallics |
| Year of publication | 2003 |
| Journal volume | 22 |
| Journal issue | 25 |
| Pages of publication | 5201 - 5211 |
| a | 9.3107 ± 0.0003 Å |
| b | 9.3107 ± 0.0003 Å |
| c | 30.4556 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2640.17 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 76 |
| Hermann-Mauguin space group symbol | P 41 |
| Hall space group symbol | P 4w |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295430 (current) | 2024-10-11 | Updated bibliographic information in entries 4062450-4062454. |
4062451.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4062451.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4062451.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. |
4062451.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/' |
4062451.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4062451.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. |
4062451.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) |
4062451.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.