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Information card for entry 2231240
Preview
| Coordinates | 2231240.cif |
|---|---|
| Structure factors | 2231240.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2-Cyanophenolato-κ<i>O</i>){2,2'- [ethylenebis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate |
|---|---|
| Formula | C23 H20 Mn N3 O4 |
| Calculated formula | C23 H20 Mn N3 O4 |
| SMILES | c12ccccc1C=[N]1CC[N]3[Mn]1(O2)(Oc1ccccc1C#N)Oc1c(C=3)cccc1.O |
| Title of publication | Dimeric (2-cyanophenolato-κ<i>O</i>){2,2'-[ethylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate |
| Authors of publication | Zidane, Youcef; Ourari, Ali; Mousser, Hénia; Mousser, Abdelhamid |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1069 - m1070 |
| a | 12.8693 ± 0.0003 Å |
| b | 14.2487 ± 0.0003 Å |
| c | 11.6357 ± 0.0003 Å |
| α | 90° |
| β | 104.297 ± 0.001° |
| γ | 90° |
| Cell volume | 2067.57 ± 0.08 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0548 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181234 (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 2/23/12. |
2231240.cif 2231240.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. |
2231240.cif 2231240.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231240.cif 2231240.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. | 2231240.cif 2231240.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231240.cif 2231240.hkl |
| 27154 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231240 via cif-deposit CGI script. |
2231240.cif |
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Users of the data should acknowledge the original authors of the
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