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Information card for entry 2230628
Preview
| Coordinates | 2230628.cif |
|---|---|
| Structure factors | 2230628.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aqua(formato-κ<i>O</i>)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N'</i>)manganese(II)]-μ-formato-κ^2^<i>O</i>:<i>O'</i>] monohydrate] |
|---|---|
| Formula | C14 H14 Mn N2 O6 |
| Calculated formula | C14 H14 Mn N2 O6 |
| SMILES | [Mn]1([n]2cccc3ccc4ccc[n]1c4c23)(OC=O)(OC=O)([OH2])[O]=CO[Mn]1([n]2cccc3ccc4ccc[n]1c4c23)(OC=O)[OH2].O.O |
| Title of publication | <i>catena</i>-Poly[[[aqua(formato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-formato-κ^2^<i>O</i>:<i>O</i>'] monohydrate] |
| Authors of publication | Xu, Wei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m893 |
| a | 19.26 ± 0.004 Å |
| b | 12.161 ± 0.002 Å |
| c | 6.5493 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1534 ± 0.5 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0741 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181228 (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 2/23/06. |
2230628.cif 2230628.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. |
2230628.cif 2230628.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230628.cif 2230628.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. | 2230628.cif 2230628.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230628.cif 2230628.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230628.cif 2230628.hkl |
| 22936 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230628 via cif-deposit CGI script. |
2230628.cif |
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Users of the data should acknowledge the original authors of the
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