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Information card for entry 7105489
Preview
Coordinates | 7105489.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H11 Cl N4 O5 |
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Calculated formula | C14 H11 Cl N4 O5 |
SMILES | Cl(=O)(=O)(=O)[O-].n12c(NC(=O)C=2c2[nH]c3[n+](c2)cccc3)cccc1 |
Title of publication | New zwitterionic radical salts: dimers in solution and unusual magnetic and luminescent properties in the solid state |
Authors of publication | Yong, Guo-Ping; Li, Chong-Fu; Li, Ying-Zhou; Luo, Shi-Wei |
Journal of publication | Chemical Communications |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 18 |
Pages of publication | 3194 - 3196 |
a | 7.012 ± 0.0014 Å |
b | 20.713 ± 0.004 Å |
c | 9.717 ± 0.0019 Å |
α | 90° |
β | 93.4 ± 0.03° |
γ | 90° |
Cell volume | 1408.8 ± 0.5 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 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 | 0.1208 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.0743 |
Weighted residual factors for all reflections included in the refinement | 0.0854 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.803 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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