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Information card for entry 1566374
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1566374.cif |
---|---|
Structure factors | 1566374.hkl |
Original IUCr paper | HTML |
Common name | Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1-)]nickel(II) |
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Chemical name | Bis[1,2-bis(4-chlorophenyl)-2-sulfanylideneethane-1-thiolato]nickel(II) |
Formula | C28 H16 Cl4 Ni S4 |
Calculated formula | C28 H16 Cl4 Ni S4 |
SMILES | [Ni]12(SC(=C(S2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)SC(=C(S1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |
Title of publication | Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1–)]nickel(II) |
Authors of publication | Koehne, Sydney; Mirmelli, Bailey; Mague, Joel T.; Donahue, James P. |
Journal of publication | IUCrData |
Year of publication | 2022 |
Journal volume | 7 |
Journal issue | 2 |
Pages of publication | x220148 |
a | 9.5487 ± 0.0004 Å |
b | 11.4141 ± 0.0004 Å |
c | 15.0254 ± 0.0006 Å |
α | 107.486 ± 0.002° |
β | 94.791 ± 0.002° |
γ | 111.423 ± 0.002° |
Cell volume | 1419.16 ± 0.1 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 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 | 0.0625 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0976 |
Weighted residual factors for all reflections included in the refinement | 0.112 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1566374.html
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Users of the data should acknowledge the original authors of the
structural data.