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Information card for entry 1519864
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Coordinates | 1519864.cif |
---|
Formula | C12 H26 Cl8 N8 P6 |
---|---|
Calculated formula | C12 H26 Cl8 N8 P6 |
SMILES | ClP1(Cl)=NP2(=NP(Cl)(Cl)=N1)N(P1(=NP(Cl)(Cl)=NP(Cl)(Cl)=N1)N2CCCCCC)CCCCCC |
Title of publication | C12H26Cl8N8P6 |
Authors of publication | Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2007 |
Pages of publication | 304 |
a | 8.6518 ± 0.0001 Å |
b | 11.3633 ± 0.0001 Å |
c | 16.0178 ± 0.0002 Å |
α | 90° |
β | 102.006 ± 0.001° |
γ | 90° |
Cell volume | 1540.31 ± 0.03 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 | 0.0321 |
Residual factor for significantly intense reflections | 0.0284 |
Weighted residual factors for significantly intense reflections | 0.0705 |
Weighted residual factors for all reflections included in the refinement | 0.0726 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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