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Information card for entry 2242634
Preview
| Coordinates | 2242634.cif |
|---|---|
| Structure factors | 2242634.hkl |
| Original IUCr paper | HTML |
| Chemical name | [Bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)manganese bis(2,6-diisopropylphenyl) phosphate methanol trisolvate |
|---|---|
| Formula | C56 H100 Mn O16 P2 |
| Calculated formula | C56 H100 Mn O16 P2 |
| Title of publication | [Bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)manganese bis(2,6-diisopropylphenyl) phosphate methanol trisolvate |
| Authors of publication | Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Nifant'ev, Ilya E.; Churakov, Andrei V.; Dmitrienko, Artem O.; Lyssenko, Konstantin A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 10 |
| Pages of publication | 1433 - 1438 |
| a | 31.872 ± 0.006 Å |
| b | 12.64 ± 0.002 Å |
| c | 16.881 ± 0.003 Å |
| α | 90° |
| β | 109.99 ± 0.002° |
| γ | 90° |
| Cell volume | 6391 ± 1.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0847 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1869 |
| Weighted residual factors for all reflections included in the refinement | 0.1974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210973 (current) | 2018-09-15 | cif/ hkl/ Adding structures of 2242634 via cif-deposit CGI script. |
2242634.cif 2242634.hkl |
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Users of the data should acknowledge the original authors of the
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