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Information card for entry 1519841
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Coordinates | 1519841.cif |
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Formula | C3 H6 Cl4 N3 O2 P3 |
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Calculated formula | C3 H6 Cl4 N3 O2 P3 |
SMILES | ClP1(=NP(=NP2(=N1)OCCCO2)(Cl)Cl)Cl |
Title of publication | 2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclotriphosphazene |
Authors of publication | Uslu, A.; Odlyha, M.; Kilic, A.; Shaw, R.A.; Davies, David B.; Light, Mark E.; Huth, Susanne. L.; Coles, Simon J.; Rutherford, J.S.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2007 |
Pages of publication | 301 |
a | 10.666 ± 0.002 Å |
b | 13.489 ± 0.003 Å |
c | 8.8593 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1274.6 ± 0.5 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.0479 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0877 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/1519841.html
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