Information card for entry 7718311

Structure parameters

• Formula: C28 H39 Ba0.5 F3 N3 O9 S
• Calculated formula: C28 H39 Ba0.5 F3 N3 O9 S
• Title of publication: Macrocyclic control of electron transfer to high valent uranium in heterobimetallic complexes.
• Authors of publication: Kumar, Amit; Golwankar, Riddhi R.; Pyrch, Mikaela M. F.; Cooper, Fynn L.; Arehart, Grant A.; Carter, Korey P.; Oliver, Allen G.; Day, Victor W.; Forbes, Tori Z.; Blakemore, James D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 8061 - 8075
• a: 20.6676 ± 0.0003 Å
• b: 23.1 ± 0.0004 Å
• c: 27.4588 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13109.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No