Information card for entry 7245361

Structure parameters

• Formula: C28 H26 Bi4 I20 N10 S2
• Calculated formula: C28 H26 Bi4 I20 N10 S2
• Title of publication: Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts
• Authors of publication: Peloquin, Andrew J.; McMillen, Colin; Pennington, William
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 10.789 ± 0.002 Å
• b: 12.598 ± 0.003 Å
• c: 15.026 ± 0.003 Å
• α: 107.107 ± 0.009°
• β: 95.518 ± 0.008°
• γ: 111.229 ± 0.008°
• Cell volume: 1771.8 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No