Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071332
Preview
| Coordinates | 4071332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20.5 H33.5 I3 N6 Rh |
|---|---|
| Calculated formula | C19 H30 I3 N6 Rh |
| SMILES | C12N(C=CN1CN1C=CN(C1=[Rh]=2([N]#CC)([N]#CC)(I)I)CCCC)CCCC.[I-] |
| Title of publication | Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes: Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer Hydrogenation |
| Authors of publication | Yang, Liangru; Krüger, Anneke; Neels, Antonia; Albrecht, Martin |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3161 |
| a | 9.1548 ± 0.0009 Å |
| b | 11.9397 ± 0.0012 Å |
| c | 14.1549 ± 0.0013 Å |
| α | 95.23 ± 0.012° |
| β | 107.292 ± 0.011° |
| γ | 93.65 ± 0.012° |
| Cell volume | 1464.4 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4071332.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 {}' |
4071332.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071332.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071332.cif |
| 43156 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071327, 4071328, 4071329, 4071330, 4071331, 4071332, 4071333, 4071334 via cif-deposit CGI script. |
4071332.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.