Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4060437
Preview
| Coordinates | 4060437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | disiloxane-bis(1-indenyl)-ansa-ferrocene |
|---|---|
| Formula | C22 H24 Fe O Si2 |
| Calculated formula | C22 H24 Fe O Si2 |
| SMILES | [Fe]123456789[c]%10([Si](O[Si]([c]%115[c]59[c]8([cH]7[cH]6%11)cccc5)(C)C)(C)C)[cH]1[cH]2[c]13cccc[c]4%101 |
| Authors of publication | Brook, Michael A.; Amako, Masaaki; Schinkel, Jonathan; McGlinchey, Michael J.; Britten, James F. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| a | 11.417 ± 0.003 Å |
| b | 16.838 ± 0.004 Å |
| c | 10.436 ± 0.003 Å |
| α | 88.025 ± 0.003° |
| β | 89.479 ± 0.003° |
| γ | 86.487 ± 0.005° |
| Cell volume | 2001.2 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| 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. |
4060437.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4060437.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4060437.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. |
4060437.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/' |
4060437.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4060437.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. |
4060437.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) |
4060437.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.