Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7011049
Preview
| Coordinates | 7011049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 Fe N2 O2 |
|---|---|
| Calculated formula | C20 H24 Fe N2 O2 |
| Title of publication | Formation of 1 ∶ 1 complexes of ferrocene-containing salen ligands with Mg, Ti and Zr |
| Authors of publication | Alexandr Shafir; Dorothea Fiedler; John Arnold |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 4 |
| Pages of publication | 555 - 560 |
| a | 9.5758 ± 0.0006 Å |
| b | 22.837 ± 0.001 Å |
| c | 9.6336 ± 0.0006 Å |
| α | 90° |
| β | 119.29 ± 0.001° |
| γ | 90° |
| Cell volume | 1837.37 ± 0.18 Å3 |
| Cell temperature | 273.2 K |
| Ambient diffraction temperature | 273.2 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 | 0.085 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for all reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.0345 |
| Weighted residual factors for all reflections included in the refinement | 0.0345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7011049.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011049.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011049.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
7011049.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011049.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.