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Information card for entry 4112077
Preview
Coordinates | 4112077.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H18 N2 Ni O4 S2 W |
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Calculated formula | C13 H18 N2 Ni O4 S2 W |
SMILES | C(#[O])[W]1(C#[O])(C#[O])(C#[O])[S]2CC[N]34CC[N]5(CC[S]1[Ni]245)CCC3 |
Title of publication | Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands |
Authors of publication | Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Pages of publication | 17323 - 17334 |
a | 12.721 ± 0.005 Å |
b | 12.151 ± 0.005 Å |
c | 10.959 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1694 ± 1.1 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.08 |
Residual factor for significantly intense reflections | 0.0719 |
Weighted residual factors for significantly intense reflections | 0.1781 |
Weighted residual factors for all reflections included in the refinement | 0.1842 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
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/4112077.html
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