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Information card for entry 2234495
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| Coordinates | 2234495.cif |
|---|---|
| Structure factors | 2234495.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Tetraaquabis{5-[4-(1<i>H</i>-imidazol-1-yl- κ<i>N</i>^3^)phenyl]tetrazolido}manganese(II) dihydrate |
|---|---|
| Formula | C20 H26 Mn N12 O6 |
| Calculated formula | C20 H26 Mn N12 O6 |
| Title of publication | <i>cis</i>-Tetraaquabis{5-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)phenyl]tetrazolido}manganese(II) dihydrate |
| Authors of publication | Tong, Shao-Wei; Song, Wen-Dong; Miao, Dong-Liang; Li, Shi-Jie; An, Jing-Bo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m433 - m434 |
| a | 19.1342 ± 0.0018 Å |
| b | 13.21 ± 0.0004 Å |
| c | 13.328 ± 0.0013 Å |
| α | 90° |
| β | 131.056 ± 0.002° |
| γ | 90° |
| Cell volume | 2540.3 ± 0.4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0656 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.307 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181266 (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 2/23/44. |
2234495.cif 2234495.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. |
2234495.cif 2234495.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234495.cif 2234495.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. | 2234495.cif 2234495.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234495.cif 2234495.hkl |
| 55773 | 2012-05-05 | cif/ Adding structures of 2234495 via cif-deposit CGI script. |
2234495.cif |
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Users of the data should acknowledge the original authors of the
structural data.