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Information card for entry 7004523
Preview
Coordinates | 7004523.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | AnnaF7 |
---|---|
Formula | C46 H14 B2 F30 N4 |
Calculated formula | C46 H14 B2 F30 N4 |
SMILES | [B]([NH3])(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1cc(ccn1)c1ccncc1.[B]([NH3])(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
Title of publication | The synthesis, molecular structure and supramolecular architecture of complexes between the ammonia adduct of tris(pentafluorophenyl)boron and a series of mono and polydentate hydrogen-bond acceptors |
Authors of publication | Fuller, Anna-Marie; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Male, Louise; Lancaster, Simon J. |
Journal of publication | Dalton Transactions |
Year of publication | 2008 |
Journal issue | 45 |
Pages of publication | 6381 - 6392 |
a | 10.5017 ± 0.0018 Å |
b | 11.412 ± 0.005 Å |
c | 11.547 ± 0.003 Å |
α | 96.404 ± 0.005° |
β | 111.114 ± 0.019° |
γ | 115.928 ± 0.01° |
Cell volume | 1099.7 ± 0.6 Å3 |
Cell temperature | 140 ± 1 K |
Ambient diffraction temperature | 140 ± 1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0685 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.094 |
Weighted residual factors for all reflections included in the refinement | 0.1027 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
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/7004523.html
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Users of the data should acknowledge the original authors of the
structural data.