Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4512487
Preview
| Coordinates | 4512487.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Copper(II) decanoate, polymorph C |
|---|---|
| Chemical name | catena((μ~3~-Decanoato-O,O,O')-(μ~2~-decanoato-O,O')-copper(ii)) |
| Formula | C20 H38 Cu O4 |
| Calculated formula | C20 H38 Cu O4 |
| Title of publication | Study of the Polymorphism in Copper(II) Decanoate through Its Phase Diagram with Decanoic Acid, and Texture of the Columnar Thermotropic Liquid Crystal Developable Domains in This and Similar Systems |
| Authors of publication | Ramos Riesco, M.; Martínez-Casado, F. J.; Cheda, J. A. Rodríguez; Redondo Yélamos, M. I.; Fernández-Martínez, A.; López-Andrés, S. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 497 |
| a | 56.798 ± 0.011 Å |
| b | 5.076 ± 0.001 Å |
| c | 16.383 ± 0.003 Å |
| α | 90° |
| β | 102.78 ± 0.03° |
| γ | 90° |
| Cell volume | 4606.3 ± 1.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0717 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1442 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.8 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179671 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/24. |
4512487.cif |
| 130443 | 2015-02-04 | cif/ Updating files of 4512486, 4512487 Original log message: Adding full bibliography for 4512486--4512487.cif. |
4512487.cif |
| 128599 | 2014-12-13 | cif/ Adding structures of 4512487 via cif-deposit CGI script. |
4512487.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.