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Information card for entry 4114351
Preview
Coordinates | 4114351.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H68 Cl4 Mn4 N4 O8 |
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Calculated formula | C52 H68 Cl4 Mn4 N4 O8 |
SMILES | c12ccc(cc1C=[N]1CC[O]3[Mn]1(O2)([O]1CC[N]2=Cc4c(ccc(c4)C(C)(C)C)O[Mn]12([O]1CC[N]2=Cc4c(ccc(c4)C(C)(C)C)O[Mn]12([O]1CC[N]2=Cc4c(ccc(c4)C(C)(C)C)O[Mn]312Cl)Cl)Cl)Cl)C(C)(C)C |
Title of publication | Ferromagnetic and Antiferromagnetic Intermolecular Interactions in a New Family of Mn4 Complexes with an Energy Barrier to Magnetization Reversal |
Authors of publication | Colette Boskovic; Roland Bircher; Philip L. W. Tregenna-Piggott; Hans U. Güdel; Carley Paulsen; Wolfgang Wernsdorfer; Anne-Laure Barra; Eugene Khatsko; Antonia Neels; Helen Stoeckli-Evans |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 14046 - 14058 |
a | 15.8213 ± 0.0008 Å |
b | 15.8213 ± 0.0008 Å |
c | 11.4105 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2856.2 ± 0.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 82 |
Hermann-Mauguin space group symbol | I -4 |
Hall space group symbol | I -4 |
Residual factor for all reflections | 0.0363 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0896 |
Weighted residual factors for all reflections included in the refinement | 0.0918 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178914 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/43. |
4114351.cif |
130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4114351.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114351.cif |
67656 | 2012-10-02 | cif/ Adding structures of 4114351 via cif-deposit CGI script. |
4114351.cif |
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