Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8102121
Preview
| Coordinates | 8102121.cif |
|---|
| Chemical name | (2,5-bis(octyloxy)-1,4-phenylene)dimethyl bis(triphenylphosphonium) bromide benzene solvate dihydrate |
|---|---|
| Formula | C66 H80 Br2 O4 P2 |
| Calculated formula | C66 H80 Br2 O4 P2 |
| Title of publication | Crystal structure of 1,4-bis(triphenylphosphonio)-2,5-bis(octyloxy) xylene bromide benzene solvate dihydrate, (C~60~H~70~O~2~P~2~)Br~2~ · C~6~H~6~ · 2H~2~O |
| Authors of publication | Liu, Hui-Jun; Tao, Xu-Tang; Xin, Qian; Yu, Wen-Tao; Jiang, Min-Hua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 213 - 214 |
| a | 10.7784 ± 0.001 Å |
| b | 12.2977 ± 0.001 Å |
| c | 13.321 ± 0.002 Å |
| α | 76.304 ± 0.01° |
| β | 89.922 ± 0.01° |
| γ | 65.608 ± 0.01° |
| Cell volume | 1553.1 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1747 |
| Residual factor for significantly intense reflections | 0.1114 |
| Weighted residual factors for significantly intense reflections | 0.3148 |
| Weighted residual factors for all reflections included in the refinement | 0.3357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.482 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8102121.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102121.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102121.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102121.cif |
| 12860 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102121 via cif-deposit CGI script. |
8102121.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.