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Information card for entry 7234369
Preview
Coordinates | 7234369.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H20 N5 Ni S4 |
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Calculated formula | C24 H20 N5 Ni S4 |
SMILES | [Ni]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.[n+]1(ccccc1)Cc1ccc(cc1)C(C)(C)C |
Title of publication | Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate |
Authors of publication | Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2015 |
Journal volume | 3 |
Pages of publication | 7906 - 7915 |
a | 12.5675 ± 0.0004 Å |
b | 24.0765 ± 0.0007 Å |
c | 26.612 ± 0.0008 Å |
α | 74.5 ± 0.003° |
β | 78.987 ± 0.003° |
γ | 83.749 ± 0.003° |
Cell volume | 7602.3 ± 0.4 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0699 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for significantly intense reflections | 0.1429 |
Weighted residual factors for all reflections included in the refinement | 0.1562 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
219094 (current) | 2019-10-04 | cif/ Adding structures of 7234368, 7234369, 7234370, 7234371, 7234372, 7234373, 7234374, 7234375 via cif-deposit CGI script. |
7234369.cif |
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Users of the data should acknowledge the original authors of the
structural data.