Information card for entry 7228952

Structure parameters

• Formula: C136 H186 F36 N16 O16 S2
• Calculated formula: C136 H186 F36 N16 O16 S2
• Title of publication: Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters
• Authors of publication: Manna, Utsab; Das, Gopal
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 22.4903 ± 0.0008 Å
• b: 22.6667 ± 0.0007 Å
• c: 31.1019 ± 0.0013 Å
• α: 90°
• β: 96.97 ± 0.003°
• γ: 90°
• Cell volume: 15738 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.288
• Residual factor for significantly intense reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.2547
• Weighted residual factors for all reflections included in the refinement: 0.3371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No