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Information card for entry 2236166
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| Coordinates | 2236166.cif |
|---|---|
| Structure factors | 2236166.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(1<i>H</i>-benzimidazole-2-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>)bis(ethanol-κ<i>O</i>)manganese(II) |
|---|---|
| Formula | C20 H22 Mn N4 O6 |
| Calculated formula | C20 H22 Mn N4 O6 |
| SMILES | [Mn]12(OC(=O)c3[n]1c1c([nH]3)cccc1)([OH]CC)([OH]CC)OC(=O)c1[nH]c3ccccc3[n]21 |
| Title of publication | Bis(1<i>H</i>-benzimidazole-2-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)bis(ethanol-κ<i>O</i>)manganese(II) |
| Authors of publication | Nie, Jian-Hua; Lin, Yue-Hua; Xu, Chun-Tao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1288 |
| a | 5.4176 ± 0.0012 Å |
| b | 10.358 ± 0.002 Å |
| c | 19.853 ± 0.005 Å |
| α | 75.671 ± 0.003° |
| β | 88.294 ± 0.003° |
| γ | 78.23 ± 0.003° |
| Cell volume | 1056.5 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0731 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.1308 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181283 (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 2/23/61. |
2236166.cif 2236166.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. |
2236166.cif 2236166.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236166.cif 2236166.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. | 2236166.cif 2236166.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236166.cif 2236166.hkl |
| 69711 | 2012-12-21 | cif/ Adding structures of 2236166 via cif-deposit CGI script. |
2236166.cif |
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Users of the data should acknowledge the original authors of the
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