Information card for entry 2008866

Structure parameters

• Chemical name: Bis[μ-{bis(ethanethiolato)-S,N,μ-S'-(ethanethiol)}amine]dinickel(II)
• Formula: C12 H26 N2 Ni2 S6
• Calculated formula: C12 H26 N2 Ni2 S6
• SMILES: [Ni]1234SCC[N]1(CC[S]3[Ni]132[N](CC[S]41)(CCS3)CCS)CCS
• Title of publication: Bis[μ-2,2',2''-nitrilotriethanethiolato(2 ‒)-<i>N</i>,<i>S</i>,<i>S</i>':<i>S</i>']dinickel(II)
• Authors of publication: Davies, Sian C.; Evans, David J.; Hughes, David L.; Longhurst, Steven
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1436 - 1438
• a: 23.727 ± 0.003 Å
• b: 5.837 ± 0.0005 Å
• c: 14.377 ± 0.002 Å
• α: 90°
• β: 98.337 ± 0.01°
• γ: 90°
• Cell volume: 1970.1 ± 0.4 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: A 1 2/a 1
• Hall space group symbol: -A 2ya
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes