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Information card for entry 1519839
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Coordinates | 1519839.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 | C1CCOP2(=NP(=NP(=N2)(Cl)Cl)(Cl)Cl)O1 |
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 | 299 |
a | 13.3686 ± 0.0005 Å |
b | 10.4704 ± 0.0004 Å |
c | 8.7799 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1228.96 ± 0.08 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0286 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0567 |
Weighted residual factors for all reflections included in the refinement | 0.0579 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/1519839.html
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