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Information card for entry 4338646
Preview
| Coordinates | 4338646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H112 Mn17 N23 O38 |
|---|---|
| Calculated formula | C72 H108 Mn17 N23 O38 |
| 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 | 14.0508 ± 0.0017 Å |
| b | 14.6997 ± 0.0016 Å |
| c | 15.2 ± 0.002 Å |
| α | 81.603 ± 0.01° |
| β | 66.662 ± 0.012° |
| γ | 78.311 ± 0.01° |
| Cell volume | 2815.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0816 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| 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. |
4338646.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. |
4338646.cif |
| 114774 | 2014-05-29 | cif/ Adding structures of 4338646, 4338647, 4338648 via cif-deposit CGI script. |
4338646.cif |
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Users of the data should acknowledge the original authors of the
structural data.