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Information card for entry 7226811
Preview
Coordinates | 7226811.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H53 Cl3 N Ni O4 S8 |
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Calculated formula | C37 H53 Cl3 N Ni O4 S8 |
SMILES | C12=C(S[Ni]3(S1)SC1=C(S3)Sc3c(cc(c(c3)OC)OC)S1)Sc1c(cc(c(c1)OC)OC)S2.C(CCC)[N+](CCCC)(CCCC)CCCC.C(Cl)(Cl)Cl |
Title of publication | Structure-dependent electronic transitions in a new type of -electron delocalized multi-sulfur bis(dithiolene) nickel complexes |
Authors of publication | Yu, Qin; Ge, Jing-Yuan; Lv, Zhong-Peng; Wang, Hai-Ying; Zuo, Jing-Lin |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 9.3127 ± 0.0011 Å |
b | 11.4047 ± 0.0013 Å |
c | 23.822 ± 0.003 Å |
α | 78.383 ± 0.002° |
β | 89.598 ± 0.002° |
γ | 69.845 ± 0.002° |
Cell volume | 2321.2 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0591 |
Residual factor for significantly intense reflections | 0.0512 |
Weighted residual factors for significantly intense reflections | 0.1447 |
Weighted residual factors for all reflections included in the refinement | 0.1531 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7226811.html
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