Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7107851
Preview
Coordinates | 7107851.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [K(2,2,2-crypt)][P3C2H2] |
---|---|
Formula | C20 H38 K N2 O6 P3 |
Calculated formula | C20 H38 K N2 O6 P3 |
SMILES | p1ccp[p-]1.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9 |
Title of publication | Synthesis of 1,2,3-tripnictolide anions by reaction of group 15 Zintl ions with acetylene. Isolation of [E/3C/2H/2]^-^ (E = P, As) and preliminary reactivity studies |
Authors of publication | Robert S. P. Turbervill; Jose M. Goicoechea |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 6100 |
a | 9.9714 ± 0.0003 Å |
b | 10.8313 ± 0.0002 Å |
c | 25.5105 ± 0.0007 Å |
α | 90° |
β | 97.071 ± 0.003° |
γ | 90° |
Cell volume | 2734.26 ± 0.12 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.039 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0895 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7107851.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.