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Information card for entry 4069759
Preview
Coordinates | 4069759.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H25 B F10 N2 |
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Calculated formula | C30 H25 B F10 N2 |
SMILES | Fc1c(c(F)c(F)c(F)c1F)[B]1(n2c(c(c(c2C(=c2[n]1c(c(c2C)CC)C)C)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 | 10.17 ± 0.003 Å |
b | 11.36 ± 0.003 Å |
c | 12.443 ± 0.004 Å |
α | 96.362 ± 0.019° |
β | 99.83 ± 0.02° |
γ | 105.61 ± 0.02° |
Cell volume | 1345.5 ± 0.7 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 | 0.0479 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.0984 |
Weighted residual factors for all reflections included in the refinement | 0.1052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4069759.html
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Users of the data should acknowledge the original authors of the
structural data.