Information card for entry 7057110

Structure parameters

• Formula: C14 H26 N4 Ni S4
• Calculated formula: C14 H26 N4 Ni S4
• Title of publication: Phase pure Ni3S2 and NiS from bis(N′-ethyl-N-piperazinylcarbodithioato-S,S′)‒nickel(ii) via solvent thermolysis and aerosol assisted chemical vapour deposition
• Authors of publication: Gervas, Charles; Mlowe, Sixberth; Akerman, Matthew P.; Revaprasadu, Neerish
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 6203
• a: 6.5759 ± 0.0004 Å
• b: 8.4895 ± 0.0005 Å
• c: 8.8346 ± 0.0005 Å
• α: 84.185 ± 0.002°
• β: 78.947 ± 0.003°
• γ: 80.038 ± 0.003°
• Cell volume: 475.57 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.019
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No