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Information card for entry 7045400
Preview
| Coordinates | 7045400.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H107 Ho2 Mn4 N9 O28 |
|---|---|
| Calculated formula | C56 H107 Ho2 Mn4 N9 O28 |
| Title of publication | Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters. |
| Authors of publication | Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 10 |
| Pages of publication | 3485 - 3495 |
| a | 24.65 ± 0.004 Å |
| b | 13.825 ± 0.002 Å |
| c | 22.304 ± 0.003 Å |
| α | 90° |
| β | 104.549 ± 0.002° |
| γ | 90° |
| Cell volume | 7357.2 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229245 (current) | 2019-11-17 | cif/ Updating files of 7045382, 7045383, 7045384, 7045385, 7045386, 7045387, 7045388, 7045389, 7045390, 7045391, 7045392, 7045393, 7045394, 7045395, 7045396, 7045397, 7045398, 7045399, 7045400, 7045401, 7045402, 7045403 Original log message: Adding full bibliography for 7045382--7045403.cif. |
7045400.cif |
| 205623 | 2018-01-25 | cif/ Adding structures of 7045382, 7045383, 7045384, 7045385, 7045386, 7045387, 7045388, 7045389, 7045390, 7045391, 7045392, 7045393, 7045394, 7045395, 7045396, 7045397, 7045398, 7045399, 7045400, 7045401, 7045402, 7045403 via cif-deposit CGI script. |
7045400.cif |
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Users of the data should acknowledge the original authors of the
structural data.