Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005215
Preview
Coordinates | 7005215.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H34 Cl12 P4 Sn |
---|---|
Calculated formula | C31 H34 Cl12 P4 Sn |
SMILES | C1[P+](c2ccccc2)(c2ccccc2)P(CC)P(CC)[P+]1(c1ccccc1)c1ccccc1.[Sn](Cl)([Cl-])([Cl-])(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Novel (n + 1 + 1) cycloaddition reactions; the formation of cyclic tetraphosphonium dications with four linked phosphorus atoms and an organic backbone. |
Authors of publication | Boyall, Alice J.; Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Thompson, Amber L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 14 |
Pages of publication | 1374 - 1376 |
a | 12.1214 ± 0.0012 Å |
b | 18.8045 ± 0.0019 Å |
c | 19.074 ± 0.002 Å |
α | 90° |
β | 93.19 ± 0.002° |
γ | 90° |
Cell volume | 4340.9 ± 0.8 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0963 |
Residual factor for significantly intense reflections | 0.0596 |
Weighted residual factors for significantly intense reflections | 0.0859 |
Weighted residual factors for all reflections included in the refinement | 0.0945 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
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/7005215.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.