Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4122349
Preview
| Coordinates | 4122349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C114 H140 F48 N12 O20 P8 Pt2 S8 |
|---|---|
| Calculated formula | C114 H140 F48 N12 O20 P8 Pt2 S8 |
| Title of publication | Mechanical bonds and topological effects in radical dimer stabilization. |
| Authors of publication | Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 31 |
| Pages of publication | 11011 - 11026 |
| a | 37.143 ± 0.005 Å |
| b | 13.161 ± 0.003 Å |
| c | 34.426 ± 0.005 Å |
| α | 90° |
| β | 93.675 ± 0.01° |
| γ | 90° |
| Cell volume | 16794 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1189 |
| Residual factor for significantly intense reflections | 0.0848 |
| Weighted residual factors for significantly intense reflections | 0.2084 |
| Weighted residual factors for all reflections included in the refinement | 0.2244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179025 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/23. |
4122349.cif |
| 123002 | 2014-09-06 | cif/ Updating files of 4122349, 4122350, 4122351, 4122352, 4122353, 4122354, 4122355 Original log message: Adding full bibliography for 4122349--4122355.cif. |
4122349.cif |
| 120895 | 2014-07-30 | cif/ Adding structures of 4122349 via cif-deposit CGI script. |
4122349.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.