Information card for entry 2244035

Structure parameters

• Chemical name: Poly[[di-μ~3~-tetrathioantimonato-tris[(cyclam)cobalt(II)]] acetonitrile disolvate dihydrate]
• Formula: C34 H82 Co3 N14 O2 S8 Sb2
• Calculated formula: C34 H82 Co3 N14 O2 S8 Sb2
• Title of publication: Synthesis and crystal structure of poly[[di-μ~3~-tetrathioantimonato-tris[(cyclam)cobalt(II)]] acetonitrile disolvate dihydrate] (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: 3
• a: 8.7292 ± 0.0003 Å
• b: 12.968 ± 0.0005 Å
• c: 13.8936 ± 0.0005 Å
• α: 66.218 ± 0.003°
• β: 77.035 ± 0.003°
• γ: 83.321 ± 0.003°
• Cell volume: 1401.93 ± 0.1 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: 0.0583
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes