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Information card for entry 7043664
Preview
Coordinates | 7043664.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H28 F6 Mn N4 O2 Sb |
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Calculated formula | C22 H28 F6 Mn N4 O2 Sb |
SMILES | c12ccccc1C=[N]1CCC[NH]3[Mn]451(O2)[N](=Cc1c(cccc1)O5)CCC[NH]4CC3.[F-][Sb](F)(F)(F)(F)F |
Title of publication | The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes |
Authors of publication | Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 11.661 ± 0.004 Å |
b | 8.205 ± 0.003 Å |
c | 13.538 ± 0.004 Å |
α | 90° |
β | 94.153 ± 0.007° |
γ | 90° |
Cell volume | 1291.9 ± 0.8 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 7 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.036 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0789 |
Weighted residual factors for all reflections included in the refinement | 0.0799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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