Information card for entry 7211963

Structure parameters

• Formula: C14 H12 Cd I3 N3 O5
• Calculated formula: C14 H12 Cd I3 N3 O5
• Title of publication: 1D zigzag chain vs. 1D helical chain: the role of the supramolecular interactions on the formation of chiral architecture
• Authors of publication: Dai, Fangna; He, Haiyan; Zhao, Xiaoliang; Ke, Yanxiong; Zhang, Guoqing; Sun, Daofeng
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 337
• a: 11.3689 ± 0.0003 Å
• b: 11.3689 ± 0.0003 Å
• c: 16.5658 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2141.16 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No