Information card for entry 7207437

Structure parameters

• Formula: C52 H92 F2 N8 O7.5
• Calculated formula: C52 H92 F2 N8 O7.52
• Title of publication: An efficient size-selective anion binding cleft-shaped receptor: A novel [F2(H2O)3]2− cluster with pseudo-encapsulated F− ion
• Authors of publication: Dalapati, Sasanka; Akhtarul Alam, Md.; Saha, Rajat; Jana, Sankar; Guchhait, Nikhil
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1527
• a: 9.9923 ± 0.0009 Å
• b: 39.407 ± 0.004 Å
• c: 14.7337 ± 0.0014 Å
• α: 90°
• β: 94.433 ± 0.002°
• γ: 90°
• Cell volume: 5784.3 ± 1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.2722
• Weighted residual factors for all reflections included in the refinement: 0.2911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No