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Information card for entry 4069760
Preview
Coordinates | 4069760.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H23 B F8 N2 |
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Calculated formula | C29 H23 B F8 N2 |
SMILES | Fc1c2c(c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1[B]12[n]2c(c(c(c2=Cc2n1c(c(c2C)CC)C)C)CC)C |
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 | 11.703 ± 0.008 Å |
b | 15.012 ± 0.011 Å |
c | 16.038 ± 0.01 Å |
α | 101.53 ± 0.04° |
β | 99.27 ± 0.04° |
γ | 107.67 ± 0.03° |
Cell volume | 2555 ± 3 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 | 0.1305 |
Residual factor for significantly intense reflections | 0.0614 |
Weighted residual factors for significantly intense reflections | 0.1341 |
Weighted residual factors for all reflections included in the refinement | 0.1672 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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