Information card for entry 7717874

Structure parameters

• Formula: C32 H49 N4 Ni S2
• Calculated formula: C32 H49 N4 Ni S2
• 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: 19.3569 ± 0.0001 Å
• b: 9.705 Å
• c: 17.7368 ± 0.0001 Å
• α: 90°
• β: 93.797 ± 0.001°
• γ: 90°
• Cell volume: 3324.7 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No