Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4074290
Preview
| Coordinates | 4074290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 5 |
|---|---|
| Formula | C72 H56 B Cl6 F24 Mo N3 |
| Calculated formula | C72 H56 B Cl6 F24 Mo N3 |
| Title of publication | Cationic Imido Alkylidene Complexes of Molybdenum Supported by β-Diketonate and β-Diketiminate Ligands |
| Authors of publication | Tonzetich, Zachary J.; Jiang, Annie J.; Schrock, Richard R.; Müller, Peter |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 20 |
| Pages of publication | 4725 |
| a | 12.701 ± 0.001 Å |
| b | 15.1067 ± 0.0012 Å |
| c | 19.2234 ± 0.0013 Å |
| α | 93.61 ± 0.002° |
| β | 96.934 ± 0.002° |
| γ | 92.006 ± 0.002° |
| Cell volume | 3650.8 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0795 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1238 |
| Weighted residual factors for all reflections included in the refinement | 0.1393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178631 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/42. |
4074290.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4074290.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074290.cif |
| 48288 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074289, 4074290 via cif-deposit CGI script. |
4074290.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.