Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227696
Preview
| Coordinates | 2227696.cif |
|---|---|
| Structure factors | 2227696.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-\ κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II) 3.5-hydrate |
|---|---|
| Formula | C16 H29 Mn N4 O13.5 |
| Calculated formula | C16 H29 Mn N4 O13.5 |
| Title of publication | Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II) 3.5-hydrate |
| Authors of publication | Li, Shi-Jie; Miao, Dong-Liang; Song, Wen-Dong; Li, Shi-Hong; Yan, Jian-Bin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1096 - m1097 |
| a | 10.609 ± 0.006 Å |
| b | 10.649 ± 0.006 Å |
| c | 11.424 ± 0.007 Å |
| α | 82.748 ± 0.008° |
| β | 82.544 ± 0.007° |
| γ | 86.857 ± 0.007° |
| Cell volume | 1268.5 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1096 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.1518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181197 (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 2/22/76. |
2227696.cif 2227696.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. |
2227696.cif 2227696.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227696.cif 2227696.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. | 2227696.cif 2227696.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227696.cif 2227696.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227696.cif 2227696.hkl |
| 4733 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227696 via cif-deposit CGI script. |
2227696.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.