Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4341985
Preview
| Coordinates | 4341985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (3,10-bis(2-(3-(4-nitrophenyl)urea)ethyl)-1,3,5,8,10,12-hexa- azacyclotetradecane)-copper(ii) diperchlorate dimethyl sulfoxide hexa-solvate |
|---|---|
| Formula | C38 H76 Cl2 Cu N12 O20 S6 |
| Calculated formula | C38 H76 Cl2 Cu N12 O20 S6 |
| Title of publication | Oxo-anion recognition by mono- and bisurea pendant-arm macrocyclic complexes. |
| Authors of publication | Boiocchi, Massimo; Licchelli, Maurizio; Milani, Michele; Poggi, Antonio; Sacchi, Donatella |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 47 - 58 |
| a | 10.259 ± 0.003 Å |
| b | 12.451 ± 0.003 Å |
| c | 14.554 ± 0.004 Å |
| α | 66.14 ± 0.02° |
| β | 74.18 ± 0.02° |
| γ | 70.85 ± 0.02° |
| Cell volume | 1584.9 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1056 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1669 |
| Weighted residual factors for all reflections included in the refinement | 0.1933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179522 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/19. |
4341985.cif |
| 130591 | 2015-02-04 | cif/ Updating files of 4341984, 4341985, 4341986 Original log message: Adding full bibliography for 4341984--4341986.cif. |
4341985.cif |
| 129148 | 2014-12-30 | cif/ Adding structures of 4341984, 4341985, 4341986 via cif-deposit CGI script. |
4341985.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.