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Information card for entry 8102301
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Coordinates | 8102301.cif |
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Chemical name | cis-bis(2,5-bis(3-pyridyl)-1,3,4-thiadiazole |
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Formula | C48 H32 N16 S4 |
Calculated formula | C48 H32 N16 S4 |
Title of publication | Crystal structure of cis-2,5-bis(3-pyridyl)-1,3,4-thiadiazole, C12H8N4S |
Authors of publication | Caoyuan Niu; Aiming Ning; Yuli Dang; Xinsheng Wan; Chunhong Kou |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2008 |
Journal volume | 223 |
Journal issue | 3 |
Pages of publication | 277 |
a | 26.367 ± 0.004 Å |
b | 5.7703 ± 0.0008 Å |
c | 7.1362 ± 0.001 Å |
α | 90° |
β | 102.884 ± 0.002° |
γ | 90° |
Cell volume | 1058.4 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0381 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.0961 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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