Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7031719
Preview
| Coordinates | 7031719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H130 Fe2 O2 Se4 |
|---|---|
| Calculated formula | C112 H130 Fe2 O2 Se4 |
| Title of publication | Low temperature activation of S8, Sered and α-Te with [Cp(BIG)Fe(CO)2] radicals. |
| Authors of publication | Heinl, S.; Scheer, M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 43 |
| Pages of publication | 16139 - 16142 |
| a | 13.4614 ± 0.0001 Å |
| b | 28.5802 ± 0.0002 Å |
| c | 13.7406 ± 0.0001 Å |
| α | 90° |
| β | 114.394 ± 0.001° |
| γ | 90° |
| Cell volume | 4814.48 ± 0.07 Å3 |
| Cell temperature | 123 ± 0.2 K |
| Ambient diffraction temperature | 123 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1479 |
| Weighted residual factors for all reflections included in the refinement | 0.1515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180023 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17. |
7031719.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7031719.cif |
| 126455 | 2014-11-06 | cif/ Updating files of 7031718, 7031719, 7031720, 7031721, 7031722, 7031723, 7031724 Original log message: Adding full bibliography for 7031718--7031724.cif. |
7031719.cif |
| 120669 | 2014-07-23 | cif/ Adding structures of 7031718, 7031719, 7031720, 7031721, 7031722, 7031723, 7031724 via cif-deposit CGI script. |
7031719.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.