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Information card for entry 7035577
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Coordinates | 7035577.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Dipotassium Phenylene-1,4-Bis(Trifluoroborate) |
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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 |
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The link is: https://www.crystallography.net/7035577.html
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