Information card for entry 4501342

Structure parameters

• Common name: [Ni(aepa)2]6(Sb3S6)2(SO4)3*2H2O
• Formula: C60 H180 N36 Ni6 O14 S15 Sb6
• Calculated formula: C60 H180 N36 Ni6 O14 S15 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: 13.3436 ± 0.0008 Å
• b: 14.1266 ± 0.0009 Å
• c: 18.3991 ± 0.0012 Å
• α: 73.635 ± 0.007°
• β: 85.432 ± 0.007°
• γ: 63.2 ± 0.007°
• Cell volume: 2965.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No