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Information card for entry 1529251
Preview
Coordinates | 1529251.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H3 B F32 N3 P |
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Calculated formula | C42 H3 B F32 N3 P |
SMILES | [P+](c1c(F)c(F)cc(F)c1F)(c1c(F)c(F)cc(F)c1F)(c1c(F)c(F)cc(F)c1F)N=N#N.Fc1c(F)c(F)c(c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+ |
Authors of publication | Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W. |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 11 |
Pages of publication | 6367 |
a | 10.7013 ± 0.0005 Å |
b | 11.2094 ± 0.0006 Å |
c | 17.8097 ± 0.0008 Å |
α | 90.007 ± 0.002° |
β | 104.509 ± 0.002° |
γ | 98.16 ± 0.002° |
Cell volume | 2045.87 ± 0.17 Å3 |
Cell temperature | 149 ± 2 K |
Ambient diffraction temperature | 149 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0567 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0773 |
Weighted residual factors for all reflections included in the refinement | 0.0844 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
170989 (current) | 2015-12-09 | cif/ Updating files of 1529251, 1529252, 1529253, 1529254, 1529255 Original log message: Adding full bibliography for 1529251--1529255.cif. |
1529251.cif |
152396 | 2015-07-22 | cif/ Adding structures of 1529251, 1529252, 1529253, 1529254, 1529255 via cif-deposit CGI script. |
1529251.cif |
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Users of the data should acknowledge the original authors of the
structural data.