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Information card for entry 2017470
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2017470.cif |
---|---|
Structure factors | 2017470.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[bis(acetonitrile-κ<i>N</i>)manganese(II)]-bis(μ- trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')] |
---|---|
Formula | C6 H6 F6 Mn N2 O6 S2 |
Calculated formula | C6 H6 F6 Mn N2 O6 S2 |
SMILES | [Mn]1([N]#CC)([N]#CC)(OS(=O)(C(F)(F)F)=O)(OS(=O)(C(F)(F)F)=O)OS(=O)(C(F)(F)F)=[O][Mn]([N]#CC)([N]#CC)OS(=[O]1)(=O)C(F)(F)F |
Title of publication | <i>catena</i>-Poly[[bis(acetonitrile-κ<i>N</i>)manganese(II)]-bis(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')] |
Authors of publication | Lutz, Martin; Schreurs, Antoine M. M.; Spek, Anthony L.; Moelands, Marcel A. H.; Klein Gebbink, Robertus J. M. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 1 |
Pages of publication | m9 - m12 |
a | 5.13763 ± 0.00008 Å |
b | 8.1188 ± 0.00012 Å |
c | 9.75293 ± 0.0001 Å |
α | 73.126 ± 0.001° |
β | 76.885 ± 0.001° |
γ | 76.025 ± 0.001° |
Cell volume | 372.346 ± 0.009 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0183 |
Residual factor for significantly intense reflections | 0.0178 |
Weighted residual factors for significantly intense reflections | 0.0475 |
Weighted residual factors for all reflections included in the refinement | 0.0478 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2017470.html
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Users of the data should acknowledge the original authors of the
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