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Information card for entry 7030955
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Coordinates | 7030955.cif |
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Original paper (by DOI) | HTML |
Common name | Fe4L6-Br(R) |
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Formula | C107 H112.5 Br6 Fe4 N11.5 O18 |
Calculated formula | C107 H110.5 Br6 Fe4 N11.5 O18 |
Title of publication | A family of enantiopure Fe(III)4 single molecule magnets: fine tuning of energy barrier by remote substituent. |
Authors of publication | Zhu, Yuan-Yuan; Cui, Chang; Qian, Kang; Yin, Ji; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 31 |
Pages of publication | 11897 - 11907 |
a | 12.475 ± 0.002 Å |
b | 19.361 ± 0.004 Å |
c | 24.438 ± 0.005 Å |
α | 90° |
β | 104.566 ± 0.002° |
γ | 90° |
Cell volume | 5712.8 ± 1.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1198 |
Residual factor for significantly intense reflections | 0.0981 |
Weighted residual factors for significantly intense reflections | 0.1812 |
Weighted residual factors for all reflections included in the refinement | 0.1949 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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