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Information card for entry 7220403
Preview
| Coordinates | 7220403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 2 |
|---|---|
| Formula | C26 H61 Cl6 Cr2 N8 O |
| Calculated formula | C26 H61 Cl6 Cr2 N8 O |
| 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 | 25.314 ± 0.006 Å |
| b | 11.006 ± 0.003 Å |
| c | 14.816 ± 0.004 Å |
| α | 90° |
| β | 111.163 ± 0.005° |
| γ | 90° |
| Cell volume | 3849.4 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1095 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1451 |
| Weighted residual factors for all reflections included in the refinement | 0.1684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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. |
7220403.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7220403.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. |
7220403.cif |
| 135849 | 2015-05-09 | cif/ Adding structures of 7220402, 7220403, 7220404, 7220405, 7220406, 7220407, 7220408 via cif-deposit CGI script. |
7220403.cif |
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Users of the data should acknowledge the original authors of the
structural data.