Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8101447
Preview
| Coordinates | 8101447.cif |
|---|
| Formula | C18 H28 I2 Ni P2 |
|---|---|
| Calculated formula | C18 H28 I2 Ni P2 |
| SMILES | I[Ni]1(I)[P]2([C@H](CC[C@@H]2C)C)c2c([P]31[C@H](CC[C@@H]3C)C)cccc2 |
| Title of publication | Crystal structure of diiodo[(+)-1,2-bis((2S,5S)-2,5-dimethylphospholano) benzene-P,P']nickel, C~18~H~28~I~2~NiP~2~ |
| Authors of publication | Frenzen, Gerlinde; Reim, Stefan; Sippel, Heike; Frauenrath, Herbert |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 1 |
| Pages of publication | 121 - 122 |
| a | 10.957 ± 0.003 Å |
| b | 10.957 ± 0.003 Å |
| c | 18.948 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2274.8 ± 1.1 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 76 |
| Hermann-Mauguin space group symbol | P 41 |
| Hall space group symbol | P 4w |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0743 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201214 (current) | 2017-09-25 | cif/ Moving the _chemical_formula_sum data item out of the looped context in entries 2100184, 4062768, 4100619, 8101447, 8101448, 8101473. |
8101447.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8101447.cif |
| 102498 | 2014-02-20 | cif/8/10/ (antanas@lokys.ibt.lt) Adding bibliographic information: issue, first page, last page. |
8101447.cif |
| 100407 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume and issue. |
8101447.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101447.cif |
| 1112 | 2010-04-19 | Fixed tags from unrecognised-tag.lst |
8101447.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. |
8101447.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/' |
8101447.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101447.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. |
8101447.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) |
8101447.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.