Information card for entry 1506224

Structure parameters

• Formula: C24.5 H25 Cl Cu F12 N8 P2
• Calculated formula: C24.5 H25 Cl Cu F12 N8 P2
• Title of publication: Methylazacalix[4]pyridine: en route to Zn2±specific fluoresence sensors.
• Authors of publication: Gong, Han-Yuan; Zheng, Qi-Yu; Zhang, Xiao-Hang; Wang, De-Xian; Wang, Mei-Xiang
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 4895 - 4898
• a: 17.351 ± 0.004 Å
• b: 23.605 ± 0.005 Å
• c: 14.941 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6119 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.694
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No