Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082944
Preview
| Coordinates | 4082944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H72 Co3 N6 O15 |
|---|---|
| Calculated formula | C76 H62 Co3 N6 O14.998 |
| Title of publication | Isolation and Characterization of a Trinuclear Cobalt Complex Containing Trigonal-Prismatic Cobalt in Secondary Alcohol Aerobic Oxidation |
| Authors of publication | Karthikeyan, I.; Alamsetti, S. K.; Sekar, G. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 7 |
| Pages of publication | 1665 |
| a | 29.163 ± 0.002 Å |
| b | 17.1312 ± 0.0012 Å |
| c | 18.0064 ± 0.0013 Å |
| α | 90° |
| β | 122.096 ± 0.002° |
| γ | 90° |
| Cell volume | 7621 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1086 |
| Residual factor for significantly intense reflections | 0.0776 |
| Weighted residual factors for significantly intense reflections | 0.2275 |
| Weighted residual factors for all reflections included in the refinement | 0.2604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178718 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/29. |
4082944.cif |
| 109855 | 2014-04-17 | cif/ Updating files of 4082944 Original log message: Adding full bibliography for 4082944.cif. |
4082944.cif |
| 109780 | 2014-04-17 | cif/ (saulius@koala.ibt.lt) Restoring in bulk the COD CIFs that had their bibliographies update recently: svn merge -r109779:109651 . The problem was that: a) the COD deposition pipeline incorrectly folded some text fields; b) it removed last page number from some CIFs that had it before. An attempt to updated bibliographies will be repeated with corrected scripts. |
4082944.cif |
| 109726 | 2014-04-17 | cif/ Updating files of 4082944 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082944.cif. |
4082944.cif |
| 108889 | 2014-04-04 | cif/ Adding structures of 4082943, 4082944 via cif-deposit CGI script. |
4082944.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.