Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2229922
Preview
| Coordinates | 2229922.cif |
|---|---|
| Structure factors | 2229922.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[aquabis(μ-formato-κ^2^<i>O</i>:<i>O</i>')(μ- pyrazine-κ^2^<i>N</i>:<i>N</i>')nickel(II)] |
|---|---|
| Formula | C6 H8 N2 Ni O5 |
| Calculated formula | C6 H8 N2 Ni O5 |
| Title of publication | Poly[aquabis(μ-formato-κ^2^<i>O</i>:<i>O</i>')(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>')nickel(II)] |
| Authors of publication | Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m532 |
| a | 7.8169 ± 0.0004 Å |
| b | 7.0077 ± 0.0003 Å |
| c | 15.6586 ± 0.0007 Å |
| α | 90° |
| β | 98.971 ± 0.004° |
| γ | 90° |
| Cell volume | 847.26 ± 0.07 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 | 0.0291 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0567 |
| Weighted residual factors for all reflections included in the refinement | 0.0586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181220 (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 2/22/99. |
2229922.cif 2229922.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. |
2229922.cif 2229922.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229922.cif 2229922.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. | 2229922.cif 2229922.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229922.cif 2229922.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2229922.cif 2229922.hkl |
| 19973 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2229922 via cif-deposit CGI script. |
2229922.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.