Information card for entry 7227682

Structure parameters

• Formula: C45 H47 B4 Cl11 F16 I6 N12
• Calculated formula: C45 H47 B4 Cl11 F16 I6 N12
• Title of publication: Tripodal halogen bonding iodo-azolium receptors for anion recognition
• Authors of publication: Ruiz-Botella, Sheila; Vidossich, Pietro; Ujaque, Gregori; Peris, Eduardo; Beer, Paul D.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 19
• Pages of publication: 11253
• a: 13.6312 ± 0.0002 Å
• b: 23.5061 ± 0.0004 Å
• c: 24.2909 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7783.2 ± 0.2 ų
• Cell temperature: 200 ± 0.14 K
• Ambient diffraction temperature: 200 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No