Information card for entry 7121987

Structure parameters

• Common name: 3
• Chemical name: 3
• Formula: C106 H156 O6 Si12 U4
• Calculated formula: C106 H156 O6 Si12 U4
• Title of publication: Activation of carbon suboxide (C₃O₂) by U(iii) to form a cyclobutane-1,3-dione ring.
• Authors of publication: Tsoureas, Nikolaos; Cloke, F Geoffrey N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 64
• Pages of publication: 8830 - 8833
• a: 12.6651 ± 0.0004 Å
• b: 16.1115 ± 0.0005 Å
• c: 19.1954 ± 0.0006 Å
• α: 101.395 ± 0.003°
• β: 104.401 ± 0.003°
• γ: 111.57 ± 0.003°
• Cell volume: 3341.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No