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Information card for entry 7211278
Preview
Coordinates | 7211278.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H30 N3 Ni S4 |
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Calculated formula | C22 H30 N3 Ni S4 |
SMILES | C1(=CS[Ni]2(S1)SC(=CS2)c1ccncc1)c1ccncc1.[N+](CC)(CC)(CC)CC |
Title of publication | Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system. |
Authors of publication | Li, Xin-Yu; Sun, Yong-Gang; Huo, Peng; Shao, Ming-Yan; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 11 |
Pages of publication | 4016 - 4023 |
a | 19.838 ± 0.008 Å |
b | 8.085 ± 0.003 Å |
c | 17.795 ± 0.007 Å |
α | 90° |
β | 120.77 ± 0.007° |
γ | 90° |
Cell volume | 2452.4 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0809 |
Residual factor for significantly intense reflections | 0.059 |
Weighted residual factors for significantly intense reflections | 0.1269 |
Weighted residual factors for all reflections included in the refinement | 0.1385 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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