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Information card for entry 7015032
Preview
| Coordinates | 7015032.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H28 F6 Mn N4 O6 S2 |
|---|---|
| Calculated formula | C22 H28 F6 Mn N4 O6 S2 |
| SMILES | S(=O)(=O)(O[Mn]123([n]4c(cccc4C[N]41CCC[N]3(Cc1cccc([n]21)C)CCC4)C)OS(=O)(=O)C(F)(F)F)C(F)(F)F |
| Title of publication | Nucleophilic reactivity of a series of peroxomanganese(iii) complexes supported by tetradentate aminopyridyl ligands. |
| Authors of publication | Geiger, Robert A.; Chattopadhyay, Swarup; Day, Victor W.; Jackson, Timothy A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 8 |
| Pages of publication | 1707 - 1715 |
| a | 13.546 ± 0.003 Å |
| b | 10.3239 ± 0.0019 Å |
| c | 19.34 ± 0.004 Å |
| α | 90° |
| β | 99.912 ± 0.003° |
| γ | 90° |
| Cell volume | 2664.3 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0312 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.0848 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7015032.cif |
| 179854 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/50. |
7015032.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015032.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015032.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
7015032.cif |
| 14915 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7015029, 7015030, 7015031, 7015032, 7015033 via cif-deposit CGI script. |
7015032.cif |
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