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Information card for entry 7036016
Preview
| Coordinates | 7036016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H82 Fe4 Mn4 N14 O26 |
|---|---|
| Calculated formula | C74 H82 Fe4 Mn4 N14 O26 |
| SMILES | c12ccccc1C=[N]1O[Fe]3456[N]7O[Mn]89%10([N](O[Fe]%11%12%13%14[O]%154[Fe]4%16%17%18[N]%19O[Mn]1%15(O2)([O]=CN(C)C)[O]%12c1ccccc1C=[N]%11O[Mn]12([O]4c4ccccc4C=%19)([N](=Cc4c(cccc4)O1)O[Fe]14([O]5%17[Mn]5([N](O%16)=Cc%11c(O5)cccc%11)([O]3c3ccccc3C=7)([O]=CN(C)C)O[N]1=Cc1c([O]84)cccc1)([O]%13%182)[O]6%10%14)[O]=CN(C)C)=Cc1c(O9)cccc1)[O]=CN(C)C.C(=O)N(C)C.C(=O)N(C)C |
| Title of publication | A self-assembled octanuclear complex bearing the uncommon close-packed {Fe4Mn4(μ4-O)4(μ-O)4} molecular core. |
| Authors of publication | Nesterova, Oksana V.; Chygorin, Eduard N.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkin, Oleg V.; Boča, Roman; Pombeiro, Armando J. L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 33 |
| Pages of publication | 14918 - 14924 |
| a | 16.509 ± 0.002 Å |
| b | 11.1843 ± 0.0017 Å |
| c | 27.176 ± 0.004 Å |
| α | 90° |
| β | 122.487 ± 0.01° |
| γ | 90° |
| Cell volume | 4232.6 ± 1.1 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1519 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for significantly intense reflections | 0.1448 |
| Weighted residual factors for all reflections included in the refinement | 0.1703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 161845 (current) | 2015-10-09 | cif/ Updating files of 7036016 Original log message: Adding full bibliography for 7036016.cif. |
7036016.cif |
| 152656 | 2015-07-31 | cif/ Adding structures of 7036016 via cif-deposit CGI script. |
7036016.cif |
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