Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052474
Preview
| Coordinates | 7052474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C156 H187 Mo2 N9 O10 |
|---|---|
| Calculated formula | C156 H185.5 Mo2 N9 O10 |
| Title of publication | A novel ligand family based on bulky metallocalix[4 and 8]arene substituents |
| Authors of publication | Gibson, Vernon C.; Redshaw, Carl; Elsegood, Mark R. J. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2002 |
| Journal volume | 26 |
| Journal issue | 1 |
| Pages of publication | 16 - 19 |
| a | 23.3956 ± 0.0017 Å |
| b | 31.216 ± 0.002 Å |
| c | 21.2594 ± 0.0015 Å |
| α | 90° |
| β | 107.908 ± 0.002° |
| γ | 90° |
| Cell volume | 14773.9 ± 1.8 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 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 | 0.1227 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.1624 |
| Weighted residual factors for all reflections included in the refinement | 0.1869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.6878 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7052474.cif |
| 174732 | 2016-01-22 | cif/7/05/ (antanas@kurmis) Updating bibliography for entries 7052473, 7052474, 7052475, 7052476. |
7052474.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052474.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052474.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7052474.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.