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Information card for entry 1564304
Preview
| Coordinates | 1564304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 N5 Ni S4 |
|---|---|
| Calculated formula | C14 H14 N5 Ni S4 |
| Title of publication | Two Ongoing Magnetic Transitions Originating from Spin-Peierls Dimerization and Cation Orientation Transformation in an S = 1/2 Spin Chain System |
| Authors of publication | Qian, Yin; Yao, Wan-Wan; Shao, Dong-Sheng; Zhang, Jin; Ren, Xiao-Ming |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2021 |
| a | 14.3949 ± 0.0008 Å |
| b | 6.9372 ± 0.0003 Å |
| c | 19.6112 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1958.38 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.1205 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267875 (current) | 2021-08-01 | cif/ Adding structures of 1564304 via cif-deposit CGI script. |
1564304.cif |
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