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Information card for entry 4504810
Preview
| Coordinates | 4504810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Lithium 4-Br,2,6-Dimethylphenoxide Dioxolane |
|---|---|
| Formula | C22 H28 Br2 Li2 O6 |
| Calculated formula | C22 H28 Br2 Li2 O6 |
| 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 | 18.492 ± 0.0005 Å |
| b | 18.492 ± 0.0005 Å |
| c | 28.562 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9766.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 122 |
| Hermann-Mauguin space group symbol | I -4 2 d |
| Hall space group symbol | I -4 2bw |
| Residual factor for all reflections | 0.0322 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0456 |
| Weighted residual factors for all reflections included in the refinement | 0.0472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4504810.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. |
4504810.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504810.cif |
| 47554 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504810 via cif-deposit CGI script. |
4504810.cif |
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Users of the data should acknowledge the original authors of the
structural data.