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Information card for entry 7206586
Preview
Coordinates | 7206586.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H9 N O S2 |
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Calculated formula | C12 H9 N O S2 |
SMILES | O=C1SC=C(S1)c1ccc2c(c1)ccn2C |
Title of publication | Indole-substituted nickel dithiolene complexes in electronic and optoelectronic devices |
Authors of publication | Dalgleish, Simon; Labram, John G.; Li, Zhe; Wang, Jianpu; McNeill, Christopher R.; Anthopoulos, Thomas D.; Greenham, Neil C.; Robertson, Neil |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2011 |
Journal volume | 21 |
Journal issue | 39 |
Pages of publication | 15422 |
a | 6.6997 ± 0.0003 Å |
b | 7.3685 ± 0.0004 Å |
c | 22.4087 ± 0.0012 Å |
α | 90° |
β | 93.852 ± 0.005° |
γ | 90° |
Cell volume | 1103.75 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0772 |
Residual factor for significantly intense reflections | 0.0674 |
Weighted residual factors for significantly intense reflections | 0.1751 |
Weighted residual factors for all reflections included in the refinement | 0.1799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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