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Information card for entry 2227248
Preview
| Coordinates | 2227248.cif |
|---|---|
| Structure factors | 2227248.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[{5,5'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}manganese(III)]-μ-acetato] methanol monosolvate] |
|---|---|
| Formula | C21 H25 Mn N2 O7 |
| Calculated formula | C21 H25 Mn N2 O7 |
| SMILES | [Mn]123(Oc4cc(OC)ccc4C=[N]2CC[N]3=Cc2ccc(OC)cc2O1)(OC(=O)C)[O]=C(O[Mn]123Oc4cc(OC)ccc4C=[N]2CC[N]3=Cc2ccc(OC)cc2O1)C.OC.OC |
| Title of publication | <i>catena</i>-Poly[[[{5,5'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}manganese(III)]-μ-acetato] methanol monosolvate] |
| Authors of publication | Assey, Gervas E.; Butcher, Anand M.; Butcher, Ray J.; Gultneh, Yilma |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m1384 - m1385 |
| a | 6.6237 ± 0.0002 Å |
| b | 21.5007 ± 0.0006 Å |
| c | 14.5544 ± 0.0004 Å |
| α | 90° |
| β | 97.539 ± 0.003° |
| γ | 90° |
| Cell volume | 2054.84 ± 0.1 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0579 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181193 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/72. |
2227248.cif 2227248.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227248.cif 2227248.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227248.cif 2227248.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. | 2227248.cif 2227248.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227248.cif 2227248.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227248.cif 2227248.hkl |
| 4285 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227248 via cif-deposit CGI script. |
2227248.cif |
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Users of the data should acknowledge the original authors of the
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