Information card for entry 7110306

Structure parameters

• Formula: C32 H56 Ag2 B2 F8 N8 Ni4 S8
• Calculated formula: C32 H56 Ag2 B2 F8 N8 Ni4 S8
• SMILES: [Ag]12([S]3[Ni]45[N](=C(C(=[N]5CC3)C)C)CC[S]4[Ag]([S]3[Ni]45[S]1CC[N]5=C(C(=[N]4CC3)C)C)[S]1[Ni]34[N](=C(C(=[N]4CC[S]23)C)C)CC1)[S]1[Ni]23[N](=C(C(=[N]3CC1)C)C)CCS2.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Novel aggregation of [Ni(thiolato)2(amine)2]-type square planes assisted by silver(i) ions
• Authors of publication: Konno, Takumi; Usami, Masafumi; Hirotsu, Masakazu; Yoshimura, Takashi; Kawamoto, Tatsuya
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 20
• Pages of publication: 2296 - 2297
• a: 13.438 ± 0.002 Å
• b: 20.621 ± 0.005 Å
• c: 18.811 ± 0.003 Å
• α: 90°
• β: 93.03 ± 0.01°
• γ: 90°
• Cell volume: 5205.3 ± 1.7 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No