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Information card for entry 4071078
Preview
Coordinates | 4071078.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C106 H131 B4 F4 N9 |
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Calculated formula | C106 H131 B4 F4 N9 |
SMILES | [B](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)(c1ccc(cc1)c1ccc(cc1)C1=c2c(cc(C)[n]2[B](F)(F)n2c1c(cc2C)C)C)C#N.C(C)[N+](CC)(CC)CC.CC#N |
Title of publication | A BODIPY−Borane Dyad for the Selective Complexation of Cyanide Ion |
Authors of publication | Huh, Jung Oh; Do, Youngkyu; Lee, Min Hyung |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 6 |
Pages of publication | 1022 |
a | 11.3239 ± 0.0008 Å |
b | 17.6439 ± 0.0012 Å |
c | 24.9126 ± 0.0017 Å |
α | 105.789 ± 0.004° |
β | 90.657 ± 0.004° |
γ | 97.962 ± 0.005° |
Cell volume | 4737.2 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.2159 |
Residual factor for significantly intense reflections | 0.0688 |
Weighted residual factors for significantly intense reflections | 0.153 |
Weighted residual factors for all reflections included in the refinement | 0.2147 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
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/4071078.html
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Users of the data should acknowledge the original authors of the
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