Information card for entry 7047201

Structure parameters

• Formula: C32 H38 B2 F8 N4 Se2
• Calculated formula: C32 H38 B2 F8 N4 Se2
• Title of publication: Selective cation and anion guest binding in host selenazamacrocycles.
• Authors of publication: Patel, Upali; Abbas, Mohammed A.; McMillen, Colin D.; Brumaghim, Julia L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 35
• Pages of publication: 12066 - 12070
• a: 14.941 ± 0.002 Å
• b: 7.8551 ± 0.0011 Å
• c: 15.117 ± 0.0018 Å
• α: 90°
• β: 107.334 ± 0.004°
• γ: 90°
• Cell volume: 1693.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No