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Information card for entry 1517363
Preview
| Coordinates | 1517363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (Ph/Me-PNP)Mn(OTf)(CO)3 |
|---|---|
| Formula | C43 H37 F5 Mn N O6 P2 S |
| Calculated formula | C43 H37 F5 Mn N O6 P2 S |
| Title of publication | Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning |
| Authors of publication | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris |
| Journal of publication | Chem. Sci. |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 12 |
| Pages of publication | 4729 |
| a | 22.5699 ± 0.0012 Å |
| b | 8.5815 ± 0.0005 Å |
| c | 10.3862 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2011.6 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| Space group number | 31 |
| Hermann-Mauguin space group symbol | P m n 21 |
| Hall space group symbol | P 2ac -2 |
| Residual factor for all reflections | 0.0267 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517363.cif |
| 126332 | 2014-11-06 | cif/ Updating files of 1517360, 1517361, 1517362, 1517363, 1517364, 1517365, 1517366 Original log message: Adding full bibliography for 1517360--1517366.cif. |
1517363.cif |
| 121944 | 2014-08-15 | cif/ Adding structures of 1517360, 1517361, 1517362, 1517363, 1517364, 1517365, 1517366 via cif-deposit CGI script. |
1517363.cif |
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Users of the data should acknowledge the original authors of the
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