Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239754
Preview
| Coordinates | 2239754.cif |
|---|---|
| Structure factors | 2239754.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ~2~-imidazol-1-ido-κ^2^<i>N</i>:<i>N</i>'] nitrate] |
|---|---|
| Formula | C9 H11 N7 O3 Zn |
| Calculated formula | C9 H11 N7 O3 Zn |
| SMILES | [Zn]([n]1c[nH]cc1)([n]1c[nH]cc1)(n1ccnc1)[n]1cn([Zn]([n]2c[nH]cc2)[n]2c[nH]cc2)cc1.O=N(=O)[O-].O=N(=O)[O-] |
| Title of publication | <i>catena</i>-Poly[[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ~2~-imidazol-1-ido-κ^2^<i>N</i>:<i>N</i>'] nitrate] |
| Authors of publication | Govindhan, Elumalai; Ganeshraja, A. S.; Bhavana, B.; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalam |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| Pages of publication | m298 - m299 |
| a | 12.1812 ± 0.001 Å |
| b | 10.0713 ± 0.0007 Å |
| c | 11.3628 ± 0.001 Å |
| α | 90° |
| β | 91.011 ± 0.008° |
| γ | 90° |
| Cell volume | 1393.78 ± 0.19 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0745 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181897 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/97. |
2239754.cif 2239754.hkl |
| 181316 | 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 2/23/97. |
2239754.cif 2239754.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. |
2239754.cif 2239754.hkl |
| 120005 | 2014-07-11 | cif/ hkl/ Adding structures of 2239754 via cif-deposit CGI script. |
2239754.cif 2239754.hkl |
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.