Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4504809
Preview
| Coordinates | 4504809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Lithium 4-Br-2,6-Dimethylphenoxide Dioxane |
|---|---|
| Formula | C50 H68 Br4 Li4 O13 |
| Calculated formula | C50 H68 Br4 Li4 O13 |
| Title of publication | Assembly of 63,66-Pillared Metal−Organic Bilayers and Diamondoid Lattices Using Molecular Li2O2Ring Dimers as Secondary Building Units |
| Authors of publication | Morris, J. Jacob; Noll, Bruce C.; Henderson, Kenneth W. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 1071 |
| a | 10.7494 ± 0.0002 Å |
| b | 12.7727 ± 0.0003 Å |
| c | 22.2935 ± 0.0005 Å |
| α | 95.936 ± 0.001° |
| β | 97.949 ± 0.001° |
| γ | 111.018 ± 0.001° |
| Cell volume | 2790.74 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0343 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0657 |
| Weighted residual factors for all reflections included in the refinement | 0.0686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4504809.cif |
| 179583 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/48. |
4504809.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504809.cif |
| 47553 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504809 via cif-deposit CGI script. |
4504809.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.