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Information card for entry 7016317
Preview
Coordinates | 7016317.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H14 S4 Te |
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Calculated formula | C16 H14 S4 Te |
SMILES | [Te]12([S]=C(S1)c1ccc(cc1)C)[S]=C(S2)c1ccc(cc1)C |
Title of publication | Synthesis, structures and ab initio studies of selenium and tellurium bis(carbodithioates and carbothioates). |
Authors of publication | Kato, Shinzi; Tani, Kazuyasu; Ishida, Masaru; Nonogaki, Junko; Ebihara, Masahiro; Hayashi, Satoko; Nakanishi, Waro; Niyomura, Osamu; Ando, Fumio; Koketsu, Jugo |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 32 |
Pages of publication | 8156 - 8169 |
a | 7.696 ± 0.005 Å |
b | 18.81 ± 0.01 Å |
c | 12.268 ± 0.004 Å |
α | 90° |
β | 99.51 ± 0.04° |
γ | 90° |
Cell volume | 1751.5 ± 1.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.255 |
Residual factor for significantly intense reflections | 0.0558 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.1351 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7016317.html
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