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Information card for entry 7200367
Preview
| Coordinates | 7200367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H38 Cu2 F6 N6 O2 S6 Si |
|---|---|
| Calculated formula | C32 H38 Cu2 F6 N6 O2 S6 Si |
| SMILES | CO.F[Si](F)(F)(F)([F-])[F-].C1C(C=CNC=1)=[S][Cu]1([S]=C2C=CNC=C2)[S](=C2C=CNC=C2)[Cu]([S]=C2C=CNC=C2)([S]1=C1C=CNC=C1)[S]=C1C=CNC=C1.CO |
| Title of publication | Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks |
| Authors of publication | Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 5 |
| Pages of publication | 763 |
| a | 7.5448 ± 0.0013 Å |
| b | 9.807 ± 0.002 Å |
| c | 14.037 ± 0.002 Å |
| α | 86.553 ± 0.003° |
| β | 86.287 ± 0.003° |
| γ | 78.243 ± 0.003° |
| Cell volume | 1013.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0528 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180334 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/03. |
7200367.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200367.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200367.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200367.cif |
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Users of the data should acknowledge the original authors of the
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