Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1508169
Preview
| Coordinates | 1508169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H58 B2 F8 N2 O4 Pd4 |
|---|---|
| Calculated formula | C62 H58 B2 F8 N2 O4 Pd4 |
| SMILES | [Pd]123456[Pd]789%10%11[CH]([CH]3=[CH]2C1c1ccccc1)=[CH]7C8c1ccccc1[C@H]1[CH]2[Pd]378%12%13[Pd]%14%15%16%17([CH]7([CH]=23)[CH]%14=[CH]%15c2ccccc2)C([CH]%16=[CH]%17[CH]8=[CH]%12C%13c2ccccc2[C@H]1[CH]9=[CH]%10[CH]4%11[CH]5=[CH]6c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=N(=O)C.O=N(=O)C.[Pd]123456[Pd]789%10%11[CH]([CH]3=[CH]2C1c1ccccc1)=[CH]7C8c1ccccc1[C@@H]1[CH]2[Pd]378%12%13[Pd]%14%15%16%17([CH]7([CH]=23)[CH]%14=[CH]%15c2ccccc2)C([CH]%16=[CH]%17[CH]8=[CH]%12C%13c2ccccc2[C@@H]1[CH]9=[CH]%10[CH]4%11[CH]5=[CH]6c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=N(=O)C.O=N(=O)C |
| 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 | 7.8918 ± 0.0004 Å |
| b | 24.8188 ± 0.0013 Å |
| c | 29.1008 ± 0.0016 Å |
| α | 90° |
| β | 93.2773 ± 0.0014° |
| γ | 90° |
| Cell volume | 5690.5 ± 0.5 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for all reflections included in the refinement | 0.0722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.823 |
| 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. |
1508169.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508169.cif |
| 62715 | 2012-07-09 | cif/ Adding structures of 1508169 via cif-deposit CGI script. |
1508169.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.