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Information card for entry 4336526
Preview
| Coordinates | 4336526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | michael069 |
|---|---|
| Chemical name | michael069 |
| Formula | C19 H32 F6 Mn N6 O3 P S |
| Calculated formula | C19 H32 F6 Mn N6 O3 P S |
| Title of publication | Synthesis and Structural Characterization of a Series of MnIIIOR Complexes, Including a Water-Soluble MnIIIOH That Promotes Aerobic Hydrogen-Atom Transfer |
| Authors of publication | Michael K. Coggins; Lisa M. Brines; Julie A. Kovacs |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 12383 - 12393 |
| a | 31.099 ± 0.002 Å |
| b | 14.0709 ± 0.0008 Å |
| c | 12.1715 ± 0.0007 Å |
| α | 90° |
| β | 91.213 ± 0.004° |
| γ | 90° |
| Cell volume | 5324.9 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0594 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4336526.cif |
| 179468 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/65. |
4336526.cif |
| 102530 | 2014-02-21 | cif/ Adding structures of 4336526 via cif-deposit CGI script. |
4336526.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.