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Information card for entry 4326245
Preview
| Coordinates | 4326245.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H86 Mn4 N4 Na2 O32 S4 |
|---|---|
| Calculated formula | C56 H86 Mn4 N4 Na2 O32 S4 |
| SMILES | c1c2cc3c(c1C)O[Mn]145([N](=C3)CCC3CC[N]6=Cc7cc(S(=O)(=O)[O-])cc(c7O[Mn]6([O]13)([O]4C)(OC(=[O]5)C)[OH]C)C)OS(=O)(=O)c1cc(C)c3c(c1)C=[N]1CCC4CC[N]5=Cc6cc(S(=O)(=O)[O-])cc(C)c6O[Mn]675([OH]C)[O]4[Mn]1(O3)([O]6C)(O=C([O]7)C)OS2(=O)=O.OC.CO.CO.OC.OC.OC.[Na+].[Na+] |
| Title of publication | Synthesis, Characterization, and Catalase Activity of a Water-Soluble diMnIII Complex of a Sulphonato-Substituted Schiff Base Ligand: An Efficient Catalyst for H2O2 Disproportionation |
| Authors of publication | Claudia Palopoli; Natalia Bruzzo; Christelle Hureau; Sonia Ladeira; Daniel Murgida; Sandra Signorella |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 8973 - 8983 |
| a | 11.3916 ± 0.0008 Å |
| b | 12.323 ± 0.0007 Å |
| c | 15.8306 ± 0.001 Å |
| α | 100.284 ± 0.005° |
| β | 108.52 ± 0.006° |
| γ | 106.187 ± 0.006° |
| Cell volume | 1934.7 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1003 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.834 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286259 (current) | 2023-09-07 | cif/4 Fixing Z values and formulae |
4326245.cif |
| 179365 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/62. |
4326245.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326245.cif |
| 47298 | 2012-03-23 | ../uploads/cif-deposit/cod/cif Adding structures of 4326245 via cif-deposit CGI script. |
4326245.cif |
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Users of the data should acknowledge the original authors of the
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