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Information card for entry 7234385
Preview
Coordinates | 7234385.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H8 N4 S4 |
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Calculated formula | C14 H8 N4 S4 |
SMILES | S1S[N]C(=N1)c1ccc(cc1)c1ccc(cc1)C1=NSS[N]1 |
Title of publication | Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation |
Authors of publication | Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2015 |
Journal volume | 3 |
Pages of publication | 7968 - 7977 |
a | 15.576 ± 0.003 Å |
b | 7.1808 ± 0.0011 Å |
c | 25.536 ± 0.004 Å |
α | 90° |
β | 107.707 ± 0.0019° |
γ | 90° |
Cell volume | 2720.8 ± 0.8 Å3 |
Cell temperature | 300 K |
Ambient diffraction temperature | 300 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for all reflections included in the refinement | 0.1383 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
219097 (current) | 2019-10-04 | cif/ Adding structures of 7234380, 7234381, 7234382, 7234383, 7234384, 7234385, 7234386, 7234387, 7234388, 7234389 via cif-deposit CGI script. |
7234385.cif |
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Users of the data should acknowledge the original authors of the
structural data.