Information card for entry 7215024

Structure parameters

• Formula: C25 H26 O2 S2
• Calculated formula: C25 H26 O2 S2
• Title of publication: Anion-dependent coordinative networking of macrocycle with copper(i) halides
• Authors of publication: Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4589
• a: 5.5135 ± 0.0002 Å
• b: 8.1356 ± 0.0003 Å
• c: 47.2858 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2121.03 ± 0.13 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No