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Information card for entry 2019867
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| Coordinates | 2019867.cif |
|---|---|
| Structure factors | 2019867.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dodeca-μ~2~-acetato-κ^24^-<i>O</i>:<i>O</i>'-tetraaquatetra-μ~2~-nitro-κ^8^<i>O</i>:<i>O</i>'-octa-μ~3~-oxido-tetra-μ~2~-oxido-tetramanganese(IV)octamanganese(III) nitromethane tetrasolvate |
|---|---|
| Formula | C28 H56 Mn12 N8 O60 |
| Calculated formula | C28 H56 Mn12 N8 O60 |
| Title of publication | [Mn~12~O~12~(O~2~CMe)~12~(NO~3~)~4~(H~2~O)~4~]: facile synthesis of a new type of Mn~12~ complex |
| Authors of publication | Thuijs, Annaliese E.; Christou, George; Abboud, Khalil A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| a | 15.7293 ± 0.0008 Å |
| b | 15.7293 ± 0.0008 Å |
| c | 27.901 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6903 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0348 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0635 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019867.cif 2019867.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019867.cif 2019867.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019867.cif 2019867.hkl |
| 131857 | 2015-02-14 | cif/ hkl/ Adding structures of 2019867 via cif-deposit CGI script. |
2019867.cif 2019867.hkl |
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