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Information card for entry 4513725
Preview
| Coordinates | 4513725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H39 Cl Li4 O6 |
|---|---|
| Calculated formula | C30 H39 Cl Li4 O6 |
| Title of publication | Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties |
| Authors of publication | Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2016 |
| Journal volume | 16 |
| Journal issue | 1 |
| Pages of publication | 189 |
| a | 6.2669 ± 0.0003 Å |
| b | 11.7767 ± 0.0008 Å |
| c | 11.965 ± 0.0007 Å |
| α | 66.479 ± 0.005° |
| β | 76.664 ± 0.004° |
| γ | 77.411 ± 0.005° |
| Cell volume | 779.97 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.2114 |
| Residual factor for significantly intense reflections | 0.0982 |
| Weighted residual factors for significantly intense reflections | 0.1037 |
| Weighted residual factors for all reflections included in the refinement | 0.1257 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| 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 |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4513725.cif |
| 175770 | 2016-02-04 | cif/ Updating files of 4513725, 4513726, 4513727, 4513728, 4513729, 4513730, 4513731 Original log message: Adding full bibliography for 4513725--4513731.cif. |
4513725.cif |
| 171512 | 2015-12-15 | cif/ Adding structures of 4513725 via cif-deposit CGI script. |
4513725.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.