Information card for entry 7029254

Structure parameters

• Formula: C28 H56 Au2 N6 Ni2 O4 S4
• Calculated formula: C28 H56 Au2 N6 Ni2 O4 S4
• SMILES: C(C)[N+](CC)(CC)CC.[Au]([S]1CC(=O)N2CCN3C(=O)C[S]4[Ni]123)[S]1CC(=O)N2CCN3C(=O)C[S]([Au]4)[Ni]123.C(C)[N+](CC)(CC)CC
• Title of publication: Versatile N2S2 nickel-dithiolates as mono- and bridging bidentate, S-donor ligands to gold(I).
• Authors of publication: Pinder, Tiffany A.; Montalvo, Steven K.; Lunsford, Allen M.; Hsieh, Chung-Hung; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 138 - 144
• a: 8.308 ± 0.002 Å
• b: 24.096 ± 0.006 Å
• c: 10.191 ± 0.003 Å
• α: 90°
• β: 110.431 ± 0.003°
• γ: 90°
• Cell volume: 1911.8 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No