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Information card for entry 7221850
Preview
| Coordinates | 7221850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H65.2 Cl2 Cu N8 O10.6 |
|---|---|
| Calculated formula | C67 H62 Cl2 Cu N8 O10.6 |
| Title of publication | Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii) |
| Authors of publication | Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 39 |
| Pages of publication | 7510 |
| a | 24.1698 ± 0.0003 Å |
| b | 11.631 ± 0.0002 Å |
| c | 21.9833 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6179.92 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 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. |
7221850.cif |
| 171025 | 2015-12-09 | cif/ Updating files of 7221845, 7221846, 7221847, 7221848, 7221849, 7221850, 7221851, 7221852, 7221853, 7221854, 7221855 Original log message: Adding full bibliography for 7221845--7221855.cif. |
7221850.cif |
| 153565 | 2015-08-21 | cif/ Adding structures of 7221845, 7221846, 7221847, 7221848, 7221849, 7221850, 7221851, 7221852, 7221853, 7221854, 7221855 via cif-deposit CGI script. |
7221850.cif |
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Users of the data should acknowledge the original authors of the
structural data.