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Information card for entry 1545000
Preview
Coordinates | 1545000.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H30 B F10 N |
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Calculated formula | C32 H30 B F10 N |
SMILES | [NH+]1(CC(C)[B](C#Cc2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C(CCCC1(C)C)(C)C |
Title of publication | CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template |
Authors of publication | Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 10.9697 ± 0.0002 Å |
b | 11.2538 ± 0.0002 Å |
c | 13.9662 ± 0.0004 Å |
α | 93.564 ± 0.001° |
β | 101.334 ± 0.001° |
γ | 106.008 ± 0.001° |
Cell volume | 1612.53 ± 0.06 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0871 |
Residual factor for significantly intense reflections | 0.0639 |
Weighted residual factors for significantly intense reflections | 0.139 |
Weighted residual factors for all reflections included in the refinement | 0.1502 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/1545000.html
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