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Information card for entry 7242469
Preview
| Coordinates | 7242469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H31 F N Ni O6 S10 |
|---|---|
| Calculated formula | C20 H31 F N Ni O6 S10 |
| SMILES | [Ni]12(SC3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.O1CCOCCOCCOCCOCCOCC1.[NH3+]CCF |
| Title of publication | Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals |
| Authors of publication | Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 14 |
| Pages of publication | 2756 - 2763 |
| a | 10.3864 ± 0.0002 Å |
| b | 12.6343 ± 0.0005 Å |
| c | 12.9338 ± 0.0005 Å |
| α | 69.944 ± 0.003° |
| β | 79.973 ± 0.003° |
| γ | 79.97 ± 0.003° |
| Cell volume | 1557.9 ± 0.1 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265974 (current) | 2021-06-05 | cif/ Updating files of 7242434, 7242435, 7242436, 7242437, 7242438, 7242439, 7242440, 7242441, 7242442, 7242443, 7242444, 7242445, 7242446, 7242447, 7242448, 7242449, 7242450, 7242451, 7242452, 7242453, 7242454, 7242455, 7242456, 7242457, 7242458, 7242459, 7242460, 7242461, 7242462, 7242463, 7242464, 7242465, 7242466, 7242467, 7242468, 7242469, 7242470, 7242471, 7242472, 7242473, 7242474, 7242475, 7242476, 7242477, 7242478, 7242479, 7242480 Original log message: Adding full bibliography for 7242434--7242480.cif. |
7242469.cif |
| 263191 | 2021-03-20 | cif/ Adding structures of 7242464, 7242465, 7242466, 7242467, 7242468, 7242469, 7242470, 7242471, 7242472, 7242473, 7242474, 7242475, 7242476, 7242477, 7242478, 7242479, 7242480 via cif-deposit CGI script. |
7242469.cif |
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Users of the data should acknowledge the original authors of the
structural data.