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Information card for entry 7005602
Preview
Coordinates | 7005602.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H10 Cl3 N4 O2 P3 |
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Calculated formula | C4 H10 Cl3 N4 O2 P3 |
SMILES | C(C)OP12=NP(=NP(=N1)(Cl)Cl)(OCCN2)Cl |
Title of publication | A spiro to ansa rearrangement in cyclotriphosphazene derivatives. |
Authors of publication | Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Shaw, Robert A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 26 |
Pages of publication | 2792 - 2801 |
a | 10.34 ± 0.007 Å |
b | 9.123 ± 0.01 Å |
c | 14.023 ± 0.008 Å |
α | 90° |
β | 97.23 ± 0.06° |
γ | 90° |
Cell volume | 1312.3 ± 1.9 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0705 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
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/7005602.html
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