Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4105004
Preview
| Coordinates | 4105004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H24 Cl2 I N |
|---|---|
| Calculated formula | C13 H24 Cl2 I N |
| SMILES | [I-].ClCCl.[N+](C[C@@]1(C[C@H]2C=C[C@@H]1C2)C)(C)(C)C.[I-].ClCCl.[N+](C[C@]1(C[C@@H]2C=C[C@H]1C2)C)(C)(C)C |
| Title of publication | A Ring-Opening Metathesis Polymerization Route to Alkaline Anion Exchange Membranes: Development of Hydroxide-Conducting Thin Films from an Ammonium-Functionalized Monomer |
| Authors of publication | Timothy J. Clark; Nicholas J. Robertson; Henry A. Kostalik IV; Emil B. Lobkovsky; Paul F. Mutolo; Héctor D. Abruña; Geoffrey W. Coates |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 12888 - 12889 |
| a | 11.1922 ± 0.0006 Å |
| b | 7.8529 ± 0.0004 Å |
| c | 19.6551 ± 0.001 Å |
| α | 90° |
| β | 103.138 ± 0.003° |
| γ | 90° |
| Cell volume | 1682.29 ± 0.15 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0429 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4105004.cif |
| 178796 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/50. |
4105004.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105004.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105004.cif |
| 30183 | 2011-11-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4105004 via cif-deposit CGI script. |
4105004.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.