Information card for entry 7718313

Structure parameters

• Formula: C25 H27 Ca F6 N3 O13 S2 U
• Calculated formula: C25 H27 Ca F6 N3 O13 S2 U
• 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: 12.2866 ± 0.0008 Å
• b: 18.0256 ± 0.0012 Å
• c: 15.5245 ± 0.001 Å
• α: 90°
• β: 106.773 ± 0.002°
• γ: 90°
• Cell volume: 3292 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No