Information card for entry 7060864

Structure parameters

• Formula: C36 H40 N Ni S4
• Calculated formula: C36 H40 N Ni S4
• Title of publication: Ni(ii) dithiolate anion composites with two-dimensional materials for electrochemical oxygen evolution reactions (OERs)
• Authors of publication: Singh, Ayushi; Singh, Amita; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Singh, Ashish Kumar; Kumar, Abhinav; Muddassir, Mohd.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 16264 - 16270
• a: 15.3812 ± 0.0004 Å
• b: 7.969 ± 0.0005 Å
• c: 28.6691 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3514.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2391
• Weighted residual factors for all reflections included in the refinement: 0.2688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No