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Information card for entry 2238276
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| Coordinates | 2238276.cif |
|---|---|
| Structure factors | 2238276.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido[2,2'-[1,2-phenylenebis(nitrilomethanylylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) methanol monosolvate |
|---|---|
| Formula | C21 H18 Cl Mn N2 O3 |
| Calculated formula | C21 H18 Cl Mn N2 O3 |
| SMILES | [Mn]123(Cl)[N](=Cc4c(O2)cccc4)c2ccccc2[N]1=Cc1ccccc1O3.CO |
| Title of publication | Chlorido[2,2'-[1,2-phenylenebis(nitrilomethanylylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) methanol monosolvate |
| Authors of publication | Lin, Hui; Wang, Jian-Gang; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m404 |
| a | 7.4251 ± 0.0002 Å |
| b | 9.8341 ± 0.0002 Å |
| c | 13.3035 ± 0.0003 Å |
| α | 78.803 ± 0.001° |
| β | 83.305 ± 0.002° |
| γ | 86.344 ± 0.002° |
| Cell volume | 945.58 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.054 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238276.cif 2238276.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. |
2238276.cif 2238276.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. |
2238276.cif 2238276.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238276.cif 2238276.hkl |
| 87537 | 2013-08-27 | cif/ Adding structures of 2238276 via cif-deposit CGI script. |
2238276.cif |
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Users of the data should acknowledge the original authors of the
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