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Information card for entry 4069755
Preview
Coordinates | 4069755.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H31 B F6 N2 |
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Calculated formula | C27 H31 B F6 N2 |
SMILES | F[B]1(n2c(c(c(c2C(=c2[n]1c(c(c2C)CC)C)CCCC)C)CC)C)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Perfluoroaryl-Substituted Boron Dipyrrinato Complexes |
Authors of publication | Bonnier, Catherine; Piers, Warren E.; Al-Sheikh Ali, Adeeb; Thompson, Alison; Parvez, Masood |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 16 |
Pages of publication | 4845 |
a | 10.922 ± 0.004 Å |
b | 11.506 ± 0.004 Å |
c | 11.715 ± 0.004 Å |
α | 89.15 ± 0.02° |
β | 84.76 ± 0.02° |
γ | 62.1 ± 0.02° |
Cell volume | 1295 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0677 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1238 |
Weighted residual factors for all reflections included in the refinement | 0.1413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/4069755.html
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