Information card for entry 7046410

Structure parameters

• Formula: C26 H34 Ca Cl2 I2 N8 O10
• Calculated formula: C26 H34 Ca Cl2 I2 N8 O10
• Title of publication: Tritopic ion-pair receptors based on anion-π interactions for selective CaX₂ binding.
• Authors of publication: Luo, Jian; Ao, Yu-Fei; Malm, Christian; Hunger, Johannes; Wang, Qi-Qiang; Wang, De-Xian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 24
• Pages of publication: 7883 - 7887
• a: 17.615 ± 0.003 Å
• b: 15.703 ± 0.003 Å
• c: 13.956 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3860.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No