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Information card for entry 2019884
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| Coordinates | 2019884.cif |
|---|---|
| Structure factors | 2019884.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]manganese(II) bis(hexafluoridophosphate) monohydrate |
|---|---|
| Formula | C40 H30 F12 Mn N8 O P2 |
| Calculated formula | C40 H28 F12 Mn N8 O P2 |
| Title of publication | Crystal structures of the water and acetone monosolvates of bis[4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine]manganese(II) bis(hexafluoridophosphate) |
| Authors of publication | Lourenço, Leandro M. O.; Almeida Paz, Filipe A.; Fernandes, José A. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | 330 |
| a | 16.2389 ± 0.0005 Å |
| b | 15.3506 ± 0.0005 Å |
| c | 16.5549 ± 0.0005 Å |
| α | 90° |
| β | 99.3892 ± 0.0017° |
| γ | 90° |
| Cell volume | 4071.5 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1174 |
| Residual factor for significantly intense reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.2176 |
| Weighted residual factors for all reflections included in the refinement | 0.2444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019884.cif 2019884.hkl |
| 180866 | 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 2/01/98. |
2019884.cif 2019884.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. |
2019884.cif 2019884.hkl |
| 132711 | 2015-03-04 | cif/ hkl/ Adding structures of 2019884, 2019885 via cif-deposit CGI script. |
2019884.cif 2019884.hkl |
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