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Information card for entry 8107293
Preview
Coordinates | 8107293.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H19 Br2 N5 S2 |
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Calculated formula | C13 H19 Br2 N5 S2 |
Title of publication | The crystal structure of 2,2′-((pyridine-2,6-diylbis(methylene))bis(sulfanediyl))-bis(4,5-dihydro-1H-imidazol-3-ium) bromide, C13H19Br2N5S2 |
Authors of publication | Eigner, Václav |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2022 |
Journal volume | 237 |
Journal issue | 6 |
Pages of publication | 1061 - 1063 |
a | 5.2259 ± 0.0001 Å |
b | 9.996 ± 0.0002 Å |
c | 17.0076 ± 0.0003 Å |
α | 102.134 ± 0.0015° |
β | 92.916 ± 0.0016° |
γ | 90.755 ± 0.0013° |
Cell volume | 867.21 ± 0.03 Å3 |
Cell temperature | 94.98 ± 0.14 K |
Ambient diffraction temperature | 95 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 | 0.0214 |
Residual factor for significantly intense reflections | 0.0205 |
Weighted residual factors for significantly intense reflections | 0.0726 |
Weighted residual factors for all reflections included in the refinement | 0.0737 |
Goodness-of-fit parameter for significantly intense reflections | 1.6137 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.6139 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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