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Information card for entry 7030198
Preview
Coordinates | 7030198.cif |
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Original paper (by DOI) | HTML |
Formula | C112 H84 Cl16 Mn12 N12 O48 |
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Calculated formula | C112 H84 Cl16 Mn12 N12 O48 |
Title of publication | New single-molecule magnet based on Mn12 oxocarboxylate clusters with mixed carboxylate ligands, [Mn12O12(CN-o-C6H4CO2)12(CH3CO2)4(H2O)4]·8CH2Cl2: Synthesis, crystal and electronic structure, magnetic properties. |
Authors of publication | Kushch, L. A.; Sasnovskaya, V. D.; Dmitriev, A. I.; Yagubskii, E. B.; Koplak, O. V.; Zorina, L. V.; Boukhvalov, D. W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 44 |
Pages of publication | 13747 - 13754 |
a | 21.0064 ± 0.0015 Å |
b | 21.0064 ± 0.0015 Å |
c | 42.006 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 18536 ± 3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1913 |
Residual factor for significantly intense reflections | 0.1125 |
Weighted residual factors for significantly intense reflections | 0.2607 |
Weighted residual factors for all reflections included in the refinement | 0.2939 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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