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Information card for entry 7006314
Preview
| Coordinates | 7006314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H48 F6 Mn N4 O6 S2 |
|---|---|
| Calculated formula | C36 H48 F6 Mn N4 O6 S2 |
| Title of publication | Chiral manganese complexes with pinene appended tetradentate ligands as stereoselective epoxidation catalysts. |
| Authors of publication | Gómez, Laura; Garcia-Bosch, Isaac; Company, Anna; Sala, Xavier; Fontrodona, Xavier; Ribas, Xavi; Costas, Miquel |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 47 |
| Pages of publication | 5539 - 5545 |
| a | 13.6695 ± 0.0014 Å |
| b | 16.645 ± 0.0017 Å |
| c | 17.5462 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3992.3 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0673 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1349 |
| Weighted residual factors for all reflections included in the refinement | 0.1415 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7006314.cif |
| 179767 | 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 7/00/63. |
7006314.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006314.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006314.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006314.cif |
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Users of the data should acknowledge the original authors of the
structural data.