Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7009275
Preview
| Coordinates | 7009275.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H36 B F4 N13 O5.5 Pd2 |
|---|---|
| Calculated formula | C48 H36 B F4 N13 O5.5 Pd2 |
| SMILES | [Pd]123[n]4c(c5n2[n]([Pd]2([n]6ccccc6c6[n]2n1cc6)[n]1n(ccc1c1ncccc1)Cc1cccc(c2cc(Cn6nc(c7[n]3cccc7)cc6)ccc2)c1)cc5)cccc4.[B](F)(F)(F)[F-].N#CC.O.O.O.O.O.O |
| Title of publication | Effects of metal co-ordination geometry on self-assembly: a dinuclear double helicate complex and a tetranuclear cage complex of a new bis-bidentate bridging ligand |
| Authors of publication | Paul, Rowena L.; Couchman, Samantha M.; Jeffery, John C.; McCleverty, Jon A.; Reeves, Zoe R.; Ward, Michael D. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 6 |
| Pages of publication | 845 |
| a | 35.916 ± 0.011 Å |
| b | 14.059 ± 0.004 Å |
| c | 26.247 ± 0.007 Å |
| α | 90° |
| β | 120.314 ± 0.007° |
| γ | 90° |
| Cell volume | 11441 ± 6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.2306 |
| Residual factor for significantly intense reflections | 0.1696 |
| Weighted residual factors for significantly intense reflections | 0.4155 |
| Weighted residual factors for all reflections included in the refinement | 0.444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.439 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7009275.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009275.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009275.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009275.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.