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Information card for entry 2240782
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| Coordinates | 2240782.cif |
|---|---|
| Structure factors | 2240782.hkl |
| Original IUCr paper | HTML |
| Common name | bis(tetramethyldiphosphinedisulfide)copper(I) tetrafluoroborate |
|---|---|
| Chemical name | Bis(1,1,2,2-tetramethyldiphosphane-1,2-dithione-κ^2^<i>S</i>,<i>S</i>')copper(I) tetrafluoridoborate |
| Formula | C8 H24 B Cu F4 P4 S4 |
| Calculated formula | C8 H24 B Cu F4 P4 S4 |
| SMILES | [Cu]12([S]=P(P(=[S]1)(C)C)(C)C)[S]=P(P(=[S]2)(C)C)(C)C.[B](F)(F)(F)[F-] |
| Title of publication | Crystal structure of bis(1,1,2,2-tetramethyldiphosphane-1,2-dithione-κ^2^<i>S</i>,<i>S</i>')copper(I) tetrafluoridoborate |
| Authors of publication | Corfield, Peter W. R.; Seeler, Uwe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 716 - 719 |
| a | 12.388 ± 0.008 Å |
| b | 14.903 ± 0.01 Å |
| c | 12.132 ± 0.007 Å |
| α | 90° |
| β | 98.02 ± 0.02° |
| γ | 90° |
| Cell volume | 2218 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0801 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240782.cif 2240782.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240782.cif 2240782.hkl |
| 137441 | 2015-05-28 | cif/ hkl/ Adding structures of 2240782 via cif-deposit CGI script. |
2240782.cif 2240782.hkl |
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Users of the data should acknowledge the original authors of the
structural data.