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Information card for entry 1520375
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Coordinates | 1520375.cif |
---|
Formula | C36 H30 I N P2 |
---|---|
Calculated formula | C36 H30 I N P2 |
SMILES | [I-].c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | C36H30INP2 |
Authors of publication | Beckett, Michael A.; Timmis, James; Horton, Peter N.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2009 |
Pages of publication | 704 |
a | 29.6827 ± 0.0006 Å |
b | 10.1604 ± 0.0002 Å |
c | 20.2114 ± 0.0004 Å |
α | 90° |
β | 91.337 ± 0.001° |
γ | 90° |
Cell volume | 6093.9 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0613 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.0966 |
Weighted residual factors for all reflections included in the refinement | 0.1045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
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/1520375.html
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Users of the data should acknowledge the original authors of the
structural data.