Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1508166
Preview
| Coordinates | 1508166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H76 B2 F48 O4 Pd4 |
|---|---|
| Calculated formula | C120 H76 B2 F48 O4 Pd4 |
| SMILES | [Pd]123456[Pd]789%10[Pd]%11%12%13%14[Pd]%15%16%17%18([CH](c%19ccc(OC)cc%19)=[CH]%15[CH]%16=[CH]%11[c]%11%12cccc[c]9%11[CH]%10=[CH]4[CH]5=[CH]6c4ccc(OC)cc4)[CH](=[CH]%14[c]4%13[c]8([CH]7=[CH]3[CH]2=[CH]1c1ccc(OC)cc1)cccc4)[CH]%17=[CH]%18c1ccc(OC)cc1.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| Title of publication | Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. |
| Authors of publication | Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo |
| Journal of publication | Nature chemistry |
| Year of publication | 2012 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 52 - 58 |
| a | 28.2551 ± 0.0005 Å |
| b | 19.2999 ± 0.0004 Å |
| c | 21.1845 ± 0.0004 Å |
| α | 90° |
| β | 97.2296 ± 0.0007° |
| γ | 90° |
| Cell volume | 11460.5 ± 0.4 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections included in the refinement | 0.0623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508166.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508166.cif |
| 62712 | 2012-07-09 | cif/ Adding structures of 1508166 via cif-deposit CGI script. |
1508166.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.