Information card for entry 7045437

Structure parameters

• Common name: Ni(PS2)2
• Chemical name: Ni(PS2)2
• Formula: C36 H26 Ni P2 S4
• Calculated formula: C36 H26 Ni P2 S4
• SMILES: [Ni]1234(Sc5ccccc5[P]3(c3ccccc3)c3ccccc3S1)Sc1ccccc1[P]4(c1ccccc1)c1ccccc1S2
• Title of publication: Nickel(iii)-mediated oxidative cascades from a thiol-bearing nickel(ii) precursor to the nickel(iv) product.
• Authors of publication: Chang, Hao-Ching; Lin, Sheng-Hsiang; Hsu, Yu-Chen; Jen, Shao-Wei; Lee, Way-Zen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3796 - 3802
• a: 9.9726 ± 0.0002 Å
• b: 10.6796 ± 0.0002 Å
• c: 17.3718 ± 0.0004 Å
• α: 93.484 ± 0.001°
• β: 105.91 ± 0.001°
• γ: 114.784 ± 0.001°
• Cell volume: 1582.36 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No