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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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1517363.html
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