Information card for entry 7109713

Structure parameters

• Formula: C26 H23 Cd N9 O7
• Calculated formula: C26 H19 Cd N9 O7
• Title of publication: Unexpected helicity control and helix inversion: homochiral helical nanotubes consisting of an achiral ligand
• Authors of publication: Kaiju Wei; Jia Ni; Yuanzeng Min; Siming Chen; Yangzhong Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8220
• a: 16.0598 ± 0.0006 Å
• b: 16.0598 ± 0.0006 Å
• c: 21.0558 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4703.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No