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Information card for entry 7053518
Preview
Coordinates | 7053518.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H106 B2 K2 N4 O12 |
---|---|
Calculated formula | C80 H106 B2 K2 N4 O12 |
SMILES | C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CCO1[K]23456.[B](C#N)(c1c(cc(cc1C)C)C)(c1ccccc1C#Cc1c([B](C#N)(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)cccc1)c1c(C)cc(cc1C)C.C(#N)C.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CCO1[K]23456.C(#N)C |
Title of publication | Comparative structural and thermodynamic studies of fluoride and cyanide binding by PhBMes2 and related triarylborane Lewis acids |
Authors of publication | Bresner, Christopher; Haynes, Cally J. E.; Addy, David A.; Broomsgrove, Alexander E. J.; Fitzpatrick, Philip; Vidovic, Dragoslav; Thompson, Amber L.; Fallis, Ian A.; Aldridge, Simon |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 8 |
Pages of publication | 1652 |
a | 12.5667 ± 0.0002 Å |
b | 13.3168 ± 0.0003 Å |
c | 13.9064 ± 0.0003 Å |
α | 102.277 ± 0.001° |
β | 110.042 ± 0.001° |
γ | 109.954 ± 0.001° |
Cell volume | 1906.52 ± 0.07 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 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 | 0.098 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for all reflections | 0.1496 |
Weighted residual factors for significantly intense reflections | 0.1342 |
Weighted residual factors for all reflections included in the refinement | 0.1496 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9399 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7053518.html
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Users of the data should acknowledge the original authors of the
structural data.