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Information card for entry 1551723
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Coordinates | 1551723.cif |
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Original paper (by DOI) | HTML |
Chemical name | Dimethyldodecylhexadecylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III) |
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Formula | C36 H64 N Ni S10 |
Calculated formula | C36 H64 N Ni S10 |
SMILES | C12=C(S[Ni]3(S1)SC1=C(S3)SC(=S)S1)SC(=S)S2.C[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCCCCCC |
Title of publication | Crystal Structure of Dimethyldodecylhexadecylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III) |
Authors of publication | DAI, Kotaro; KUSUNOKI, Satoe; HIROTA, Mami; TOMONO, Kazuaki; MIYAMURA, Kazuo |
Journal of publication | X-ray Structure Analysis Online |
Year of publication | 2011 |
Journal volume | 27 |
Pages of publication | 35 |
a | 7.6149 ± 0.0005 Å |
b | 12.2245 ± 0.0009 Å |
c | 24.2399 ± 0.0017 Å |
α | 84.575 ± 0.001° |
β | 87.967 ± 0.001° |
γ | 86.767 ± 0.001° |
Cell volume | 2241.7 ± 0.3 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 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 | 0.0833 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.161 |
Weighted residual factors for all reflections included in the refinement | 0.1806 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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216335 (current) | 2019-06-20 | cif/ Adding structures of 1551723 via cif-deposit CGI script. |
1551723.cif |
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Users of the data should acknowledge the original authors of the
structural data.