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Information card for entry 4121347
Preview
| Coordinates | 4121347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H72 Ce Li3 N6 O6 |
|---|---|
| Calculated formula | C72 H72 Ce Li3 N6 O6 |
| Title of publication | Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework |
| Authors of publication | Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2013 |
| Journal volume | 135 |
| Pages of publication | 19016 - 19024 |
| a | 21.2574 ± 0.0016 Å |
| b | 15.4522 ± 0.0011 Å |
| c | 22.0986 ± 0.0016 Å |
| α | 90° |
| β | 117.814 ± 0.003° |
| γ | 90° |
| Cell volume | 6420.2 ± 0.8 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1628 |
| Weighted residual factors for all reflections included in the refinement | 0.1658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4121347.cif |
| 179015 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/13. |
4121347.cif |
| 107551 | 2014-03-20 | cif/ Adding structures of 4121347 via cif-deposit CGI script. |
4121347.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.