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Information card for entry 1516959
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Coordinates | 1516959.cif |
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Formula | C42 H47 B Fe N8 Se |
---|---|
Calculated formula | C42 H47 B Fe N8 Se |
SMILES | [Se]=C=N[Fe]1234[n]5c([nH]cc5C=[N]1CCC[N]2(C)CCC[N]3=Cc1[n]4c([nH]c1)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Iron(II) complexes with a linear pentadentate ligand H2L1 = bis(N,N'-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine and a monodentate ligand X (X = N3-, NCS-, NCSe-) |
Authors of publication | Keishiro Murakami; Aki Kitabayashi; Suguru Yamauchi; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Seiichiro Iijima; Masaaki Kojima |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 400 |
Pages of publication | 244 - 249 |
a | 15.558 ± 0.0005 Å |
b | 12.6513 ± 0.0003 Å |
c | 22.0709 ± 0.0006 Å |
α | 90° |
β | 108.432 ± 0.0008° |
γ | 90° |
Cell volume | 4121.3 ± 0.2 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for all reflections included in the refinement | 0.1215 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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