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Information card for entry 4303750
Preview
| Coordinates | 4303750.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H22 Cl2 Cu N6 O8 |
|---|---|
| Calculated formula | C19 H22 Cl2 Cu N6 O8 |
| Title of publication | Copper(I)/O2 Chemistry with Imidazole Containing Tripodal Tetradentate Ligands Leading to μ-1,2-Peroxo-Dicopper(II) Species |
| Authors of publication | Yunho Lee; Ga Young Park; Heather R. Lucas; Peter L. Vajda; Kaliappan Kamaraj; Michael A. Vance; Ashley E. Milligan; Julia S. Woertink; Maxime A. Siegler; Amy A. Narducci Sarjeant; Lev N. Zakharov; Arnold L. Rheingold; Edward I. Solomon; Kenneth D. Karlin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 11297 - 11309 |
| a | 14.2773 ± 0.0019 Å |
| b | 10.9131 ± 0.0016 Å |
| c | 15.564 ± 0.004 Å |
| α | 90° |
| β | 101.916 ± 0.017° |
| γ | 90° |
| Cell volume | 2372.8 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1113 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4303750.cif |
| 179075 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/37. |
4303750.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303750.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303750.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303750.cif |
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