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Information card for entry 7040293
Preview
Coordinates | 7040293.cif |
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Original paper (by DOI) | HTML |
Formula | C260 H450 Fe10 N40 O40 |
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Calculated formula | C260 H450 Fe10 N40 O40 |
Title of publication | Iron(iii) bis(pyrazol-1-yl)acetate based decanuclear metallacycles: synthesis, structure, magnetic properties and DFT calculations. |
Authors of publication | Gajewska, Małgorzata J; Bieńko, Alina; Herchel, Radovan; Haukka, Matti; Jerzykiewicz, Maria; Ożarowski, Andrzej; Drabent, Krzysztof; Hung, Chen-Hsiung |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 38 |
Pages of publication | 15089 - 15096 |
a | 23.8248 ± 0.0003 Å |
b | 24.7952 ± 0.0003 Å |
c | 28.7437 ± 0.0003 Å |
α | 90° |
β | 90.351 ± 0.001° |
γ | 90° |
Cell volume | 16979.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1968 |
Residual factor for significantly intense reflections | 0.1316 |
Weighted residual factors for significantly intense reflections | 0.3602 |
Weighted residual factors for all reflections included in the refinement | 0.4034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.374 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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