Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8101965
Preview
| Coordinates | 8101965.cif |
|---|
| Chemical name | aquabis(2,2'-bipyridine)bis(1,4-benzenedicarboxylato)dicopper(II) |
|---|---|
| Formula | C36 H26 Cu2 N4 O9 |
| Calculated formula | C36 H26 Cu2 N4 O9 |
| Title of publication | Refinement of the crystal structure of aquabis(2,2'-bipyridine)bis (terephtalato)dicopper(II), Cu~2~(H~2~O)(C~10~H~8~N~2~)~2~(C~8~H~4~O~4~) ~2~ |
| Authors of publication | Wang, C.-C. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 385 - 387 |
| a | 13.732 ± 0.003 Å |
| b | 17.188 ± 0.003 Å |
| c | 14.127 ± 0.003 Å |
| α | 90° |
| β | 104.57 ± 0.03° |
| γ | 90° |
| Cell volume | 3227.1 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0443 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101965.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101965.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101965.cif |
| 12704 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101965 via cif-deposit CGI script. |
8101965.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.