Information card for entry 7061466

Structure parameters

• Formula: C33 H31 Cl3 Ni O2 P2 S2
• Calculated formula: C33 H31 Cl3 Ni O2 P2 S2
• SMILES: [Ni]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)SC(=C(C(=O)C)C(=O)C)S2.C(Cl)(Cl)Cl
• Title of publication: Phase-controlled solvothermal syntheses and oxygen evolution reaction (OER) activity of nickel sulfide nanoparticles obtained from 1,2-bis(diphenylphosphino)ethane nickel(ii) acetylacetonatedithiolate
• Authors of publication: Singh, Ayushi; Singh, Amita; Kociok-Köhn, Gabriele; Chauhan, Ratna; Gosavi, Suresh W.; Singh, Anar; Singh, Ashish Kumar; Kumar, Abhinav; Muddassir, Mohd.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 10246 - 10255
• a: 10.68 ± 0.0003 Å
• b: 12.5165 ± 0.0003 Å
• c: 13.2741 ± 0.0004 Å
• α: 89.198 ± 0.002°
• β: 74.574 ± 0.002°
• γ: 81.894 ± 0.002°
• Cell volume: 1692.9 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0451
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No