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Information card for entry 7027005
Preview
Coordinates | 7027005.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 N2 Ni2 S4 |
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Calculated formula | C18 H18 N2 Ni2 S4 |
SMILES | [Ni]1234[Ni]56([S]2CC[N]4=Cc2c(S1)cccc2)Sc1c(cccc1)C=[N]6CC[S]35 |
Title of publication | Anion dependent deprotection of a thioether group in Schiff base NS2 ligands results in new mononuclear and dinuclear thiolato nickel complexes |
Authors of publication | Bouwman, Elisabeth; Henderson, Richard K.; Powell, Annie K.; Reedijk, Jan; Smeets, Wilberth J. J.; Spek, Anthony L.; Veldman, Nora; Wocadlo, Sigrid |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 20 |
Pages of publication | 3495 |
a | 15.049 ± 0.004 Å |
b | 10.554 ± 0.002 Å |
c | 12.921 ± 0.004 Å |
α | 90° |
β | 108.68 ± 0.02° |
γ | 90° |
Cell volume | 1944.1 ± 0.9 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1415 |
Residual factor for significantly intense reflections | 0.0682 |
Weighted residual factors for significantly intense reflections | 0.1339 |
Weighted residual factors for all reflections included in the refinement | 0.1674 |
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 | No |
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