Information card for entry 7225272

Structure parameters

• Chemical name: compound 2
• Formula: C26 H28 Cu5 I7 N2
• Calculated formula: C26 H28 Cu5 I7 N2
• Title of publication: Symmetrically Modulated Three Iodocuprate Hybrids by Positional Isomer and Chiral Conformation of N-benzyl-methylpyridinium
• Authors of publication: Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Liu, Fang; fu, yunlong
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 14.0832 ± 0.0003 Å
• b: 10.6623 ± 0.0002 Å
• c: 25.2274 ± 0.0006 Å
• α: 90°
• β: 100.572 ± 0.002°
• γ: 90°
• Cell volume: 3723.83 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No