Information card for entry 7706371

Structure parameters

• Common name: 4,8,14,18,23,27-Hexa-azonia-1,11-diaza-6,16,25(1,4)-tri(tetrafluorobenzena) bicyclo (9.9.9)nonacosaphane perrhenate clathrate pentakys(triflate) pentahydrate
• Formula: C41 H58 F27 N8 O24 Re S5
• Calculated formula: C41 H48 F27 N8 O24 Re S5
• Title of publication: Syntheses and evaluation of new hydrophilic azacryptands used as masking agents of technetium in solvent extraction processes.
• Authors of publication: Thevenet, Alexiane; Miljkovic, Ana; La Cognata, Sonia; Marie, Cécile; Tamain, Christelle; Boubals, Nathalie; Mangano, Carlo; Amendola, Valeria; Guilbaud, Philippe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 1620 - 1630
• a: 12.0433 ± 0.0008 Å
• b: 18.7847 ± 0.0012 Å
• c: 31.495 ± 0.002 Å
• α: 90°
• β: 96.772 ± 0.002°
• γ: 90°
• Cell volume: 7075.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No