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Information card for entry 8000139
Preview
| Coordinates | 8000139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H28 Fe N6 S2 |
|---|---|
| Calculated formula | C24.8889 H24.4444 Fe0.888889 N5.33333 S1.77778 |
| Title of publication | Novel 2D Interpenetrated Structure and Occurrence of the Spin-crossover Phenomena of Assembled Complexes, Fe(NCX)2(bpp)2 (X = S, Se, BH3; bpp = 1,3-Bis(4-pyridyl)propane) |
| Authors of publication | Atsuchi, Masaki; Higashikawa, Hiroyuki; Yoshida, Yusuke; Nakashima, Satoru; Inoue, Katsuya |
| Journal of publication | Chemistry Letters |
| Year of publication | 2007 |
| Journal volume | 36 |
| Journal issue | 8 |
| Pages of publication | 1064 |
| a | 18.782 ± 0.003 Å |
| b | 16.57 ± 0.002 Å |
| c | 20.709 ± 0.003 Å |
| α | 90° |
| β | 114.562 ± 0.002° |
| γ | 90° |
| Cell volume | 5861.8 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1122 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1655 |
| Weighted residual factors for all reflections included in the refinement | 0.1948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.877 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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