Information card for entry 2244071

Structure parameters

• Common name: μ~3~-Tetrathioantimonato-tris[(1,4,8,11-tetraazacyclotetradecane)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate
• Chemical name: μ~3~-Tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate
• Formula: C34 H82 N14 O2 S8 Sb2 Zn3
• Calculated formula: C34 H82 N14 O2 S8 Sb2 Zn3
• Title of publication: Crystal structure of μ~3~-tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate showing Zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane)
• Authors of publication: Näther, Christian; Danker, Felix; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 5
• a: 8.7856 ± 0.0003 Å
• b: 13.1738 ± 0.0006 Å
• c: 14.0096 ± 0.0006 Å
• α: 67.018 ± 0.003°
• β: 77.677 ± 0.003°
• γ: 84.22 ± 0.003°
• Cell volume: 1458.1 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes