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Information card for entry 2006601
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Coordinates | 2006601.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bis-4,4'pyridiniumdiazomethane diperchlorate |
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Formula | C12 H12 Cl2 N4 O8 |
Calculated formula | C12 H12 Cl2 N4 O8 |
SMILES | c1cc(cc[nH+]1)/C=N/N=C/c1cc[nH+]cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | 4,4'-Azinodimethyldipyridinium Diperchlorate, C~12~H~12~N~4~^2+^.2ClO~4~^{-^} |
Authors of publication | Chen, Wei; Liu, Cai-ming; Li, Da-guang; You, Xiao-zeng |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 10 |
Pages of publication | 1499 - 1501 |
a | 5.2894 ± 0.0005 Å |
b | 8.6106 ± 0.0008 Å |
c | 9.1884 ± 0.0009 Å |
α | 101.801 ± 0.007° |
β | 97.055 ± 0.009° |
γ | 96.293 ± 0.008° |
Cell volume | 402.61 ± 0.07 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 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 | 0.0584 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for all reflections | 0.1099 |
Weighted residual factors for significantly intense reflections | 0.1024 |
Goodness-of-fit parameter for all reflections | 1.019 |
Goodness-of-fit parameter for significantly intense reflections | 1.107 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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