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Information card for entry 7035577
Preview
| Coordinates | 7035577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Dipotassium Phenylene-1,4-Bis(Trifluoroborate) |
|---|---|
| Formula | C6 H4.66667 B2 F6 K2 O0.33333 |
| Calculated formula | C6 H4.66667 B2 F6 K2 O0.333333 |
| SMILES | [B](F)(F)(F)c1ccc([B](F)(F)F)cc1.[K+].O.[K+] |
| Title of publication | Organotrifluoroborates as attractive self-assembling systems: the case of bifunctional dipotassium phenylene-1,4-bis(trifluoroborate). |
| Authors of publication | Falcicchio, Aurelia; Nilsson Lill, Sten O.; Perna, Filippo M.; Salomone, Antonio; Coppi, Donato I.; Cuocci, Corrado; Stalke, Dietmar; Capriati, Vito |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 45 |
| Pages of publication | 19447 - 19450 |
| a | 17.597 ± 0.009 Å |
| b | 17.597 ± 0.009 Å |
| c | 40.203 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12449 ± 9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 142 |
| Hermann-Mauguin space group symbol | I 41/a c d :2 |
| Hall space group symbol | -I 4bd 2c |
| Residual factor for all reflections | 0.0809 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0903 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211691 (current) | 2018-10-29 | cif/7: Fixing Z values and formulae |
7035577.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7035577.cif |
| 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. |
7035577.cif |
| 171171 | 2015-12-09 | cif/ Updating files of 7035577 Original log message: Adding full bibliography for 7035577.cif. |
7035577.cif |
| 139715 | 2015-06-27 | cif/ Adding structures of 7035577 via cif-deposit CGI script. |
7035577.cif |
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