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Information card for entry 7220405
Preview
| Coordinates | 7220405.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 4 |
|---|---|
| Formula | C36 H70 Cr2 N14 O17 |
| Calculated formula | C36 H70 Cr2 N14 O17 |
| Title of publication | Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii) |
| Authors of publication | Wang, Ai; Merkens, Carina; Englert, Ulli |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 23 |
| Pages of publication | 4293 |
| a | 7.1767 ± 0.0005 Å |
| b | 12.5519 ± 0.0009 Å |
| c | 14.7649 ± 0.001 Å |
| α | 100.486 ± 0.0011° |
| β | 93.4647 ± 0.0011° |
| γ | 106.358 ± 0.0011° |
| Cell volume | 1246.06 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0645 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1277 |
| Weighted residual factors for all reflections included in the refinement | 0.1367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220405.cif |
| 138554 | 2015-06-07 | cif/ Updating files of 7220402, 7220403, 7220404, 7220405, 7220406, 7220407, 7220408 Original log message: Adding full bibliography for 7220402--7220408.cif. |
7220405.cif |
| 135849 | 2015-05-09 | cif/ Adding structures of 7220402, 7220403, 7220404, 7220405, 7220406, 7220407, 7220408 via cif-deposit CGI script. |
7220405.cif |
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Users of the data should acknowledge the original authors of the
structural data.