Information card for entry 2021352

Structure parameters

• Chemical name: Poly[[1-benzoyl-3-(4-bromophenyl)thiourea-κ<i>S</i>]-μ~3~-iodido-copper(I)] acetone hemisolvate
• Formula: C15.5 H14 Br Cu I N2 O1.5 S
• Calculated formula: C15.5 H14 Br1.0004 Cu1.0004 I1.0004 N2 O1.5 S1.0004
• Title of publication: Copper(I) iodide ribbons coordinated with thiourea derivatives
• Authors of publication: Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• a: 4.0594 ± 0.0003 Å
• b: 10.8684 ± 0.0008 Å
• c: 20.7336 ± 0.0015 Å
• α: 102.079 ± 0.006°
• β: 94.047 ± 0.006°
• γ: 94.299 ± 0.006°
• Cell volume: 888.48 ± 0.12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes