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Information card for entry 1558800
Preview
| Coordinates | 1558800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H46 B Fe N4 O2 |
|---|---|
| Calculated formula | C46 H46 B Fe N4 O2 |
| Title of publication | Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer |
| Authors of publication | Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi |
| Journal of publication | Magnetochemistry |
| Year of publication | 2020 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 29 |
| a | 15.4749 ± 0.0007 Å |
| b | 13.9637 ± 0.0006 Å |
| c | 18.888 ± 0.0009 Å |
| α | 90° |
| β | 103.392 ± 0.007° |
| γ | 90° |
| Cell volume | 3970.5 ± 0.3 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 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 all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255123 (current) | 2020-08-07 | cif/ Adding structures of 1558800 via cif-deposit CGI script. |
1558800.cif |
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Users of the data should acknowledge the original authors of the
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