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Information card for entry 4341796
Preview
| Coordinates | 4341796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C134 H148 Ca Cl5 Mn4 N11 O30 |
|---|---|
| Calculated formula | C134 H132 Ca Cl5 Mn4 N11 O30 |
| Title of publication | Emissive {Mn4IIICa} Clusters with Square Pyramidal Topologies: Syntheses and Structural, Spectroscopic, and Physicochemical Characterization |
| Authors of publication | Alaimo, Alysha A.; Takahashi, Daisuke; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 2137 |
| a | 14.7076 ± 0.0012 Å |
| b | 29.524 ± 0.002 Å |
| c | 31.846 ± 0.002 Å |
| α | 90° |
| β | 101.206 ± 0.003° |
| γ | 90° |
| Cell volume | 13564.8 ± 1.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1268 |
| Residual factor for significantly intense reflections | 0.0969 |
| Weighted residual factors for significantly intense reflections | 0.1991 |
| Weighted residual factors for all reflections included in the refinement | 0.2133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179520 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/17. |
4341796.cif |
| 132863 | 2015-03-04 | cif/ Updating files of 4341794, 4341795, 4341796, 4341797 Original log message: Adding full bibliography for 4341794--4341797.cif. |
4341796.cif |
| 128221 | 2014-12-06 | cif/ Adding structures of 4341794, 4341795, 4341796, 4341797 via cif-deposit CGI script. |
4341796.cif |
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Users of the data should acknowledge the original authors of the
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