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Information card for entry 7027794
Preview
| Coordinates | 7027794.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H30 Cl2 Cu2 N8 O10 |
|---|---|
| Calculated formula | C30 H30 Cl2 Cu2 N8 O10 |
| Title of publication | Synthesis, magnetism, 1H NMR and redox activity of dicopper(II) complexes having a discrete {Cu2(μ-phenoxide)2}2+ unit supported by a non-macrocyclic ligand environment. Crystal structure of [Cu2(L)2(OClO3)2] [HL = 4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol] † |
| Authors of publication | Gupta, Rajeev; Mukherjee, Sumitra; Mukherjee, Rabindranath |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 22 |
| Pages of publication | 4025 |
| a | 10.085 ± 0.0008 Å |
| b | 10.249 ± 0.005 Å |
| c | 10.472 ± 0.001 Å |
| α | 96.55 ± 0.02° |
| β | 110.168 ± 0.007° |
| γ | 115.77 ± 0.03° |
| Cell volume | 869.2 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.051 |
| Goodness-of-fit parameter for all reflections | 1.236 |
| Goodness-of-fit parameter for significantly intense reflections | 1.253 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoK-alpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7027794.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7027794.cif |
| 95798 | 2014-01-28 | cif/ Adding structures of 7027794 via cif-deposit CGI script. |
7027794.cif |
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Users of the data should acknowledge the original authors of the
structural data.