Information card for entry 7203696

Structure parameters

• Formula: C45 H42 N3 S6 Sb
• Calculated formula: C45 H42 N3 S6 Sb
• SMILES: [Sb]12(SC(=[S]1)N(Cc1ccccc1)Cc1ccccc1)(SC(=[S]2)N(Cc1ccccc1)Cc1ccccc1)SC(=S)N(Cc1ccccc1)Cc1ccccc1
• Title of publication: Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding
• Authors of publication: Liu, Yu; Tiekink, Edward R. T.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 20
• a: 9.8634 ± 0.0006 Å
• b: 13.1293 ± 0.0007 Å
• c: 17.145 ± 0.0009 Å
• α: 93.689 ± 0.001°
• β: 99.276 ± 0.001°
• γ: 105.504 ± 0.001°
• Cell volume: 2098 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No