Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2018972
Preview
| Coordinates | 2018972.cif |
|---|---|
| Structure factors | 2018972.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[1<i>H</i>-imidazol-3-ium [tri-μ~2~-formato-manganese(II)]] |
|---|---|
| Formula | C6 H8 Mn N2 O6 |
| Calculated formula | C6 H8 Mn N2 O6 |
| Title of publication | Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations |
| Authors of publication | Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | 616 - 619 |
| a | 8.8324 ± 0.0012 Å |
| b | 8.8324 ± 0.0012 Å |
| c | 6.4406 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 502.44 ± 0.14 Å3 |
| Cell temperature | 453 ± 2 K |
| Ambient diffraction temperature | 453 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 113 |
| Hermann-Mauguin space group symbol | P -4 21 m |
| Hall space group symbol | P -4 2ab |
| Residual factor for all reflections | 0.0557 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.128 |
| Weighted residual factors for all reflections included in the refinement | 0.1353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/89. |
2018972.cif 2018972.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2018972.cif 2018972.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018972.cif 2018972.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018972.cif 2018972.hkl |
| 86620 | 2013-07-11 | cif/ Adding structures of 2018971, 2018972 via cif-deposit CGI script. |
2018972.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.