Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2232331
Preview
| Coordinates | 2232331.cif |
|---|---|
| Structure factors | 2232331.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2- phenoxypyrimidine-κ<i>N</i>^1^)copper(II)](<i>Cu</i>—<i>Cu</i>) |
|---|---|
| Formula | C28 H28 Cu2 N4 O10 |
| Calculated formula | C28 H28 Cu2 N4 O10 |
| SMILES | C1(C)=[O][Cu]234([n]5c(nccc5)Oc5ccccc5)[O]=C(C)O[Cu]4(O1)([n]1c(nccc1)Oc1ccccc1)([O]=C(C)O2)[O]=C(C)O3 |
| Title of publication | Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2-phenoxypyrimidine-κ<i>N</i>^1^)copper(II)](<i>Cu</i>—<i>Cu</i>) |
| Authors of publication | Fairuz, Zainal Abidin; Abdullah, Zanariah; Nasir, Shah Bakhtiar; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1637 |
| a | 11.0738 ± 0.0009 Å |
| b | 7.5002 ± 0.0006 Å |
| c | 18.0539 ± 0.0014 Å |
| α | 90° |
| β | 100.579 ± 0.001° |
| γ | 90° |
| Cell volume | 1474 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1698 |
| Weighted residual factors for all reflections included in the refinement | 0.1748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181245 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/23. |
2232331.cif 2232331.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232331.cif 2232331.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232331.cif 2232331.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232331.cif 2232331.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232331.cif 2232331.hkl |
| 30986 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232331 via cif-deposit CGI script. |
2232331.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.