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Information card for entry 8102170
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| Coordinates | 8102170.cif |
|---|
| Chemical name | potassium trifluoro[2-methyl-1,3-dithiano]borate |
|---|---|
| Formula | C20 H36 B4 F12 K4 S8 |
| Calculated formula | C5 H9 B F3 K S2 |
| Title of publication | Crystal structure of potassium trifluoro(2-methyl-1,3-dithiano)borate, K(C~5~H~9~BF~3~S~2~) |
| Authors of publication | Caracelli, Ignez; Stefani, Hélio A.; Siqueira Vieira, Adriano; Pereira Machado, Maria M.; Zukerman-Schpector, Julio |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 345 - 347 |
| a | 11.9238 ± 0.0005 Å |
| b | 13.606 ± 0.0005 Å |
| c | 14.028 ± 0.0003 Å |
| α | 114.995 ± 0.002° |
| β | 92.035 ± 0.002° |
| γ | 92.39 ± 0.002° |
| Cell volume | 2057.35 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102170.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102170.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102170.cif |
| 12909 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102170 via cif-deposit CGI script. |
8102170.cif |
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