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Information card for entry 7007701
Preview
| Coordinates | 7007701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H35 Br Mn2 N2 O8 |
|---|---|
| Calculated formula | C25 H35 Br Mn2 N2 O8 |
| SMILES | C[O]1[Mn]234([N](CCC5CC[N]6=Cc7cc(C)ccc7O[Mn]16([O]25)([O]=C(C)O3)Br)=Cc1cc(C)ccc1O4)[OH2].CO |
| Title of publication | Synthesis, structure and catalase-like activity of dimanganese(III) complexes of 1,5-bis(X-salicylidenamino)pentan-3-ol (X = 3- and 5-methyl). Influence of phenyl-ring substituents on catalytic activity. |
| Authors of publication | Moreno, Diego; Palopoli, Claudia; Daier, Verónica; Shova, Sergiu; Vendier, Laure; Sierra, Manuel González; Tuchagues, Jean-Pierre; Signorella, Sandra |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 43 |
| Pages of publication | 5156 - 5166 |
| a | 30.521 ± 0.006 Å |
| b | 24.201 ± 0.005 Å |
| c | 7.804 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5764 ± 2 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 6 |
| Space group number | 32 |
| Hermann-Mauguin space group symbol | P b a 2 |
| Hall space group symbol | P 2 -2ab |
| Residual factor for all reflections | 0.097 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.891 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179781 (current) | 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 7/00/77. |
7007701.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007701.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007701.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007701.cif |
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Users of the data should acknowledge the original authors of the
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