Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4322362
Preview
| Coordinates | 4322362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (1,4,7,10‒tetrakis((S)‒2‒hydroxy‒3‒phenoxypropyl) ‒1,4,7,10‒tetraazacyclododecane) cadmium(II) diperchlorate |
|---|---|
| Formula | C44 H52 Cd Cl2 N4 O16 |
| Calculated formula | C44 H52 Cd Cl2 N4 O16 |
| Title of publication | Metal Ion Dependent Molecular Inclusion Chemistry: Inclusion of p-Toluenesulfonate and p-Nitrophenolate within the Structure of Coordinated 1,4,7,10-Tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetraazacyclododecane |
| Authors of publication | Christopher B. Smith; Kia S. Wallwork; Jennifer M. Weeks; Mark A. Buntine; Stephen F. Lincoln; Max R. Taylor; Kevin P. Wainwright |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 4986 - 4992 |
| a | 9.8736 ± 0.0002 Å |
| b | 10.8633 ± 0.0003 Å |
| c | 23.4208 ± 0.0006 Å |
| α | 77.326 ± 0.001° |
| β | 80.511 ± 0.001° |
| γ | 73.931 ± 0.001° |
| Cell volume | 2340.57 ± 0.1 Å3 |
| Cell temperature | 142 ± 2 K |
| Ambient diffraction temperature | 142 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections | 0.149 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Goodness-of-fit parameter for all reflections | 1.269 |
| Goodness-of-fit parameter for significantly intense reflections | 1.264 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | xray_tube |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4322362.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322362.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322362.cif |
| 20633 | 2011-06-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4322362 via cif-deposit CGI script. |
4322362.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.