Information card for entry 7717872

Structure parameters

• Formula: C48 H68 N2 Ni S4
• Calculated formula: C48 H68 N2 Ni S4
• Title of publication: On the reactivity of complexes [Ni(NHC)₂] with CS₂.
• Authors of publication: Luff, Martin Simon; Corsei, Celine Sophie; Radius, Udo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 3750 - 3758
• a: 8.8358 ± 0.0001 Å
• b: 9.0954 ± 0.0002 Å
• c: 14.2686 ± 0.0002 Å
• α: 94.49 ± 0.001°
• β: 97.731 ± 0.001°
• γ: 97.231 ± 0.001°
• Cell volume: 1121.94 ± 0.03 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: 0.0304
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No