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Information card for entry 8000090
Preview
| Coordinates | 8000090.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H28 Cl2 Fe N7 S3 |
|---|---|
| Calculated formula | C38 H32 Cl4 Fe N6 S2 |
| Title of publication | Occurrence of the Spin-crossover Phenomenon of Assembled Complexes, Fe(NCX)2(bpa)2 (X = S, BH3; bpa = 1,2-Bis(4-pyridyl)ethane) by Enclathrating Organic Guest Molecule |
| Authors of publication | Morita, Takaki; Nakashima, Satoru; Yamada, Koji; Inoue, Katsuya |
| Journal of publication | Chemistry Letters |
| Year of publication | 2006 |
| Journal volume | 35 |
| Journal issue | 9 |
| Pages of publication | 1042 |
| a | 20.468 ± 0.004 Å |
| b | 9.8853 ± 0.0019 Å |
| c | 20.399 ± 0.004 Å |
| α | 90° |
| β | 101.634 ± 0.004° |
| γ | 90° |
| Cell volume | 4042.6 ± 1.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.698 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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