Information card for entry 7015861
| Formula |
C7 H15 Cl3 N5 O P3 |
| Calculated formula |
C7 H15 Cl3 N5 O P3 |
| SMILES |
C1CCO[P@]2(=N[P@@](=NP(=N2)(Cl)Cl)(N2CCCC2)Cl)N1.C1CCO[P@@]2(=N[P@](=NP(=N2)(Cl)Cl)(N2CCCC2)Cl)N1 |
| Title of publication |
Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group. |
| Authors of publication |
Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Okutan, Elif; Shaw, Robert A.; Eçik, Esra Tanrıverdi; Çiftçi, Gönül Yenilmez |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2011 |
| Journal volume |
40 |
| Journal issue |
18 |
| Pages of publication |
4959 - 4969 |
| a |
9.2456 ± 0.0006 Å |
| b |
11.8383 ± 0.0007 Å |
| c |
15.3172 ± 0.0014 Å |
| α |
78.702 ± 0.006° |
| β |
76.806 ± 0.007° |
| γ |
67.964 ± 0.007° |
| Cell volume |
1501.7 ± 0.2 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 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 |
0.0512 |
| Residual factor for significantly intense reflections |
0.0363 |
| Weighted residual factors for significantly intense reflections |
0.0836 |
| Weighted residual factors for all reflections included in the refinement |
0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7015861.html
