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Information card for entry 4338647
Preview
| Coordinates | 4338647.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H88 Mn17 N11 O40 |
|---|---|
| Calculated formula | C61 H86 Mn17 N11 O40 |
| Title of publication | A Mn17 Octahedron with a Giant Ground-State Spin: Occurrence in Discrete Form and as Multidimensional Coordination Polymers |
| Authors of publication | Moushi, Eleni E.; Stamatatos, Theocharis C.; Wernsdorfer, Wolfgang; Nastopoulos, Vassilios; Christou, George; Tasiopoulos, Anastasios J. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Journal issue | 12 |
| Pages of publication | 5049 - 5051 |
| a | 25.8542 ± 0.0016 Å |
| b | 12.0156 ± 0.0006 Å |
| c | 31.992 ± 0.0013 Å |
| α | 90° |
| β | 104.911 ± 0.005° |
| γ | 90° |
| Cell volume | 9603.8 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1333 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1313 |
| Weighted residual factors for all reflections included in the refinement | 0.1506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.934 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210065 (current) | 2018-08-23 | cif/4/ Updating bibliography in entries 4302258-4302260, 4338646-4338648. Marking entries 4302258-4302260 as duplicates of entries 4338646-4338648. |
4338647.cif |
| 179489 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/86. |
4338647.cif |
| 114774 | 2014-05-29 | cif/ Adding structures of 4338646, 4338647, 4338648 via cif-deposit CGI script. |
4338647.cif |
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Users of the data should acknowledge the original authors of the
structural data.