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Information card for entry 4339484
Preview
| Coordinates | 4339484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H35 Cl6 Mn3 N12 O10 Zn |
|---|---|
| Calculated formula | C27 H33 Mn3 N12 O10 Zn |
| SMILES | C1c2cccc[n]2[Zn]2345[n]6c(C[O]74[Mn]489([O]%10[Mn]%11(N=N#N)([O]124)([O]=C(CC)O8)OC(CC)=[O][Mn]7%10(N=N#N)(OC(CC)=[O]9)[O]5%11Cc1cccc[n]31)N=N#N)cccc6 |
| Title of publication | Heterometallic cubane single-molecule magnets. |
| Authors of publication | Feng, Patrick L.; Beedle, Christopher C.; Wernsdorfer, Wolfgang; Koo, Changhyun; Nakano, Motohiro; Hill, Stephen; Hendrickson, David N. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 20 |
| Pages of publication | 8126 - 8128 |
| a | 14.744 ± 0.002 Å |
| b | 14.744 Å |
| c | 35.186 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6624.2 ± 1.3 Å3 |
| Cell temperature | 208 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259049 (current) | 2020-11-09 | cif/4/33/94/ Changed the value of the _symmetry_cell_setting data item from 'rhombohedral' back to 'trigonal' in entries 4339483, 4339484. |
4339484.cif |
| 259042 | 2020-11-08 | cif/4/33/94/ Removed the _space_group.IT_number data item since it had an incorrect value, changed the value of the _symmetry_cell_setting data item from 'trigonal' to 'rhombohedral' and renamed several space group related data items in entries 4339483, 4339484. |
4339484.cif |
| 204147 | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
4339484.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4339484.cif |
| 117349 | 2014-06-14 | cif/ Adding structures of 4339483, 4339484 via cif-deposit CGI script. |
4339484.cif |
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