Information card for entry 7029253

Structure parameters

• Formula: C28 H37 Au Cl N2 Ni O P S2
• Calculated formula: C28 H37 Au Cl N2 Ni O P S2
• SMILES: [Ni]123[S](CC[N]43CCC[N]1(CCS2)CCC4)[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].O
• 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: 16.697 ± 0.003 Å
• b: 11.0833 ± 0.0019 Å
• c: 16.059 ± 0.003 Å
• α: 90°
• β: 102.978 ± 0.002°
• γ: 90°
• Cell volume: 2895.9 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 9
• 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: 0.0244
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No