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Information card for entry 7004622
Preview
| Coordinates | 7004622.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H42 Cl Cu F3 N4 O7 S3 |
|---|---|
| Calculated formula | C39 H42 Cl Cu F3 N4 O7 S3 |
| Title of publication | Designing new ligands: asymmetric cyclopropanation by Cu(i) complexes based on functionalised pyridine-containing macrocyclic ligands |
| Authors of publication | Caselli, Alessandro; Cesana, Francesca; Gallo, Emma; Casati, Nicola; Macchi, Piero; Sisti, Massimo; Celentano, Giuseppe; Cenini, Sergio |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 32 |
| Pages of publication | 4202 - 4205 |
| a | 19.1493 ± 0.0013 Å |
| b | 19.1493 ± 0.0013 Å |
| c | 13.415 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4919.2 ± 0.6 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 8 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.1032 |
| Residual factor for significantly intense reflections | 0.0914 |
| Weighted residual factors for significantly intense reflections | 0.247 |
| Weighted residual factors for all reflections included in the refinement | 0.2615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7004622.cif |
| 179750 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/46. |
7004622.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004622.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004622.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004622.cif |
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