Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4110154
Preview
| Coordinates | 4110154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H132 F29 N12 O42 P4 Pd2 S4 |
|---|---|
| Calculated formula | C112 H132 F29 N12 O42 P4 Pd2 S4 |
| Title of publication | Molecular Catenation via Metal-Directed Self-Assembly and π-Donor/π-Acceptor Interactions: Efficient One-Pot Synthesis, Characterization, and Crystal Structures of [3]Catenanes Based on Pd or Pt Dinuclear Metallocycles |
| Authors of publication | Víctor Blanco; Marcos Chas; Dolores Abella; Carlos Peinador; José M. Quintela |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 13978 - 13986 |
| a | 18.292 ± 0.003 Å |
| b | 20.433 ± 0.003 Å |
| c | 20.878 ± 0.003 Å |
| α | 76.237 ± 0.004° |
| β | 78.635 ± 0.004° |
| γ | 79.9 ± 0.004° |
| Cell volume | 7362.8 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.274 |
| Residual factor for significantly intense reflections | 0.1589 |
| Weighted residual factors for significantly intense reflections | 0.4089 |
| Weighted residual factors for all reflections included in the refinement | 0.4637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.34 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178872 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/01. |
4110154.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110154.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110154.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110154.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.