Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227918
Preview
| Coordinates | 2227918.cif |
|---|---|
| Structure factors | 2227918.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-azido-bis({<i>N</i>'-[1-(2-pyridyl- κ<i>N</i>)ethylidene]acetohydrazidato-κ^2^<i>N</i>',<i>O</i>}dicopper(II)) |
|---|---|
| Formula | C18 H20 Cu2 N12 O2 |
| Calculated formula | C18 H20 Cu2 N12 O2 |
| SMILES | C1(=N[N]2[Cu]3(O1)([N](=N#N)[Cu]14([N]3=N#N)[n]3c(cccc3)C(C)=[N]1N=C(C)O4)[n]1c(cccc1)C=2C)C |
| Title of publication | Di-μ-azido-bis({<i>N</i>'-[1-(2-pyridyl-κ<i>N</i>)ethylidene]acetohydrazidato-κ^2^<i>N</i>',<i>O</i>}dicopper(II)) |
| Authors of publication | Datta, Amitabha; Das, Kuheli; Jhou, Yan-Ming; Huang, Jui-Hsien; Lee, Hon Man |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1271 |
| a | 7.589 ± 0.003 Å |
| b | 8.955 ± 0.003 Å |
| c | 9.693 ± 0.004 Å |
| α | 66.534 ± 0.015° |
| β | 69.461 ± 0.013° |
| γ | 81.468 ± 0.016° |
| Cell volume | 565.8 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2586 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| 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 |
|---|---|---|---|
| 181200 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/79. |
2227918.cif 2227918.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227918.cif 2227918.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227918.cif 2227918.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. | 2227918.cif 2227918.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227918.cif 2227918.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227918.cif 2227918.hkl |
| 4955 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227918 via cif-deposit CGI script. |
2227918.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.