Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2230882
Preview
| Coordinates | 2230882.cif |
|---|---|
| Structure factors | 2230882.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[(1,10-phenanthroline){μ~3~-2,2',2''-[1,3,5-triazine-2,4,6- triyltris(sulfanediyl)]triacetato}cadmium] 0.42-hydrate] |
|---|---|
| Formula | C21 H15.84 Cd N5 O6.42 S3 |
| Calculated formula | C21 H15.842 Cd N5 O6.421 S3 |
| Title of publication | Poly[[(1,10-phenanthroline){μ~3~-2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]triacetato}cadmium] 0.42-hydrate] |
| Authors of publication | Chi, Chun-Jing; Peng, Yan-Qiang; Zeng, Su-Yuan; Sun, De-Zhi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m826 - m827 |
| a | 10.618 ± 0.002 Å |
| b | 10.987 ± 0.002 Å |
| c | 12.601 ± 0.002 Å |
| α | 95.815 ± 0.003° |
| β | 114.197 ± 0.002° |
| γ | 113.909 ± 0.002° |
| Cell volume | 1161.1 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.0707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181230 (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 2/23/08. |
2230882.cif 2230882.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. |
2230882.cif 2230882.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230882.cif 2230882.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. | 2230882.cif 2230882.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230882.cif 2230882.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230882.cif 2230882.hkl |
| 23206 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230882 via cif-deposit CGI script. |
2230882.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.