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Information card for entry 7002904
Preview
| Coordinates | 7002904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H32 Mn2 N9 O8 |
|---|---|
| Calculated formula | C30 H32 Mn2 N9 O8 |
| SMILES | [Mn]123([n]4[n]5[Mn]6([OH]C)([n]7ccccc7c5nc4c4ccccc4O1)([n]1ccccc1c1nc(c4ccccc4O2)[n]3[n]61)N=C=O)([OH]C)[OH]C.O.O |
| Title of publication | Synthesis, structures and magnetic properties of polynuclear mixed-valence MnIIMnIII complexes containing 3-(2-phenol)-5-(pyridin-2-yl)-1,2,4-triazole ligand |
| Authors of publication | Liu, Hui; Tian, Jinlei; Kou, Yingying; Zhang, Jingyan; Feng, Li; Li, Dongdong; Gu, Wen; Liu, Xin; Liao, Daizheng; Cheng, Peng; Ribas, Joan; Yan, Shiping |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 47 |
| Pages of publication | 10511 - 10517 |
| a | 14.973 ± 0.011 Å |
| b | 13.324 ± 0.013 Å |
| c | 17.853 ± 0.013 Å |
| α | 90° |
| β | 114.113 ± 0.008° |
| γ | 90° |
| Cell volume | 3251 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1147 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for significantly intense reflections | 0.1542 |
| Weighted residual factors for all reflections included in the refinement | 0.1864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.837 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179733 (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 7/00/29. |
7002904.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 {}' |
7002904.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002904.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002904.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002904.cif |
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