Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4339878
Preview
Coordinates | 4339878.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H51 I N9 P3 |
---|---|
Calculated formula | C19 H51 I N9 P3 |
SMILES | [I-].P1(=[N+](P(=NP(=N1)(NCCC)NCCC)(NCCC)NCCC)C)(NCCC)NCCC |
Title of publication | Alkylation and acylation of cyclotriphosphazenes. |
Authors of publication | Benson, Mark A.; Zacchini, Stefano; Boomishankar, Ramamoorthy; Chan, Yuri; Steiner, Alexander |
Journal of publication | Inorganic chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Journal issue | 17 |
Pages of publication | 7097 - 7108 |
a | 23.472 ± 0.004 Å |
b | 13.582 ± 0.002 Å |
c | 38.636 ± 0.006 Å |
α | 90° |
β | 100.158 ± 0.003° |
γ | 90° |
Cell volume | 12124 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1213 |
Residual factor for significantly intense reflections | 0.0899 |
Weighted residual factors for significantly intense reflections | 0.2209 |
Weighted residual factors for all reflections included in the refinement | 0.243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4339878.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.