Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7113407
Preview
| Coordinates | 7113407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C110 H102 N4 Na4 O14 P8 |
|---|---|
| Calculated formula | C110 H102 N4 Na4 O14 P8 |
| SMILES | [Na]123([O]4=P(N=P([O]1[Na]1([O]=P(N=P(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O]2=P(N=P([O]3[Na]124[O]([Na]3456[O]72CC[O]3CC[O]4CC[O]5c2ccccc2[O]6CC7)P(=NP(=[O]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[OH2] |
| Title of publication | Template-assisted self assembly of two lipophilic polyion aggregates derived from sodium tetraphenyl imidodiphosphinate-complexes containing sodium ions in four different coordination environments. |
| Authors of publication | Román-Bravo, Perla; López-Cardoso, Marcela; y García, Patricia García; Höpfl, Herbert; Cea-Olivares, Raymundo |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2004 |
| Journal issue | 17 |
| Pages of publication | 1940 - 1941 |
| a | 15.8021 ± 0.0009 Å |
| b | 13.9991 ± 0.0008 Å |
| c | 23.2013 ± 0.0013 Å |
| α | 90° |
| β | 92.411 ± 0.001° |
| γ | 90° |
| Cell volume | 5127.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.854 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180248 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34. |
7113407.cif |
| 114632 | 2014-05-28 | cif/ Adding structures of 7113406, 7113407 via cif-deposit CGI script. |
7113407.cif |
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.