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Information card for entry 2019021
Preview
| Coordinates | 2019021.cif |
|---|---|
| Structure factors | 2019021.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(dimethylformamide-κ<i>O</i>)(μ~4~-5-methoxyisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)manganese(II)] |
|---|---|
| Formula | C12 H13 Mn N O6 |
| Calculated formula | C12 H13 Mn N O6 |
| Title of publication | A three-dimensional manganese(II) metal‒organic framework based on 5-methoxybenzene-1,3-dicarboxylic acid and exhibiting a pts net |
| Authors of publication | Huang, Xiao-Hui |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | 483 - 485 |
| a | 7.437 ± 0.003 Å |
| b | 15.164 ± 0.007 Å |
| c | 11.278 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1271.9 ± 1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0266 |
| Residual factor for significantly intense reflections | 0.0235 |
| Weighted residual factors for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.0472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/90. |
2019021.cif 2019021.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019021.cif 2019021.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. |
2019021.cif 2019021.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2019021.cif 2019021.hkl |
| 86824 | 2013-07-11 | cif/ Adding structures of 2019021 via cif-deposit CGI script. |
2019021.cif |
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Users of the data should acknowledge the original authors of the
structural data.