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Information card for entry 7023443
Preview
| Coordinates | 7023443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H34 Cu N6 O2 |
|---|---|
| Calculated formula | C30 H34 Cu N6 O2 |
| SMILES | C1c2c(c(cc(c2)C)Cn2c(C)cc(n2)C)O[Cu]23[N]=1CC[N]2=Cc1c(c(cc(c1)C)Cn1nc(cc1C)C)O3 |
| Title of publication | A novel thermally stable hydroperoxo-copper(II) complex in a Cu(N2O2) chromophore of a potential N4O2 donor Schiff base ligand: synthesis, structure and catalytic studies. |
| Authors of publication | Biswas, Surajit; Dutta, Arpan; Debnath, Mainak; Dolai, Malay; Das, Kalyan K.; Ali, Mahammad |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 36 |
| Pages of publication | 13210 - 13219 |
| a | 21.536 Å |
| b | 9.92 Å |
| c | 13.033 Å |
| α | 90° |
| β | 108.98° |
| γ | 90° |
| Cell volume | 2632.95 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7023443.cif |
| 179939 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/34. |
7023443.cif |
| 90536 | 2013-11-18 | cif/ Adding structures of 7023443 via cif-deposit CGI script. |
7023443.cif |
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