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Information card for entry 1564955
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1564955.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [FeII(14-S~4~)(MeCN)2](BArF4)2 |
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Formula | C78 H50 B2 F48 Fe N2 S4 |
Calculated formula | C78 H50 B2 F48 Fe N2 S4 |
Title of publication | Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. |
Authors of publication | Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried |
Journal of publication | Faraday discussions |
Year of publication | 2022 |
Journal volume | 234 |
Journal issue | 0 |
Pages of publication | 70 - 85 |
a | 12.2236 ± 0.0006 Å |
b | 12.9921 ± 0.0006 Å |
c | 14.746 ± 0.0007 Å |
α | 74.5207 ± 0.0016° |
β | 87.2647 ± 0.0016° |
γ | 66.8668 ± 0.0015° |
Cell volume | 2071.09 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0411 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0811 |
Weighted residual factors for all reflections included in the refinement | 0.0852 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1564955.html
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