Information card for entry 4501341

Structure parameters

• Common name: [Ni(aepa)2]3Sb6S12
• Formula: C30 H90 N18 Ni3 S12 Sb6
• Calculated formula: C30 H90 N18 Ni3 S12 Sb6
• Title of publication: From Zero- to Three-Dimensional Thioantimonates: [Ni(aepa)2]3Sb6S12(aepa = C5H15N3=N-(aminoethyl)-1,3-propandiamine), Containing the Unique [Sb6S12]6‒Cyclic Anion, [Ni(aepa)2]6(Sb3S6)2(SO4)3·2H2O, with Isolated [Sb3S6]3‒anions and [Ni(aepa)2]Sb4S7, Characterized by a Three-Dimensional Network Structure
• Authors of publication: Seidlhofer, Beatrix; Djamil, John; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5554
• a: 22.1486 ± 0.0011 Å
• b: 22.1486 ± 0.0011 Å
• c: 23.6629 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10052.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No