Information card for entry 7125700

Structure parameters

• Chemical name: 1
• Formula: C32 H79 B3 Na O8 Si4 U
• Calculated formula: C32 H79 B3 Na O8 Si4 U
• SMILES: [BH]12[H][U]3456789([C]%10(=[C]3([C]4(=[C]5%10[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)([H]1)([H]2)([H][BH]([H]6)[H]7)[H][BH]([H]8)[H]9.[O]12CC[O]3CC[O]4CC[O](CC1)[Na]156234[O]2CC[O]6CC[O]5CC[O]1CC2
• Title of publication: Uranium(iv) cyclobutadienyl sandwich compounds: synthesis, structure and chemical bonding.
• Authors of publication: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 944 - 947
• a: 17.3922 ± 0.0002 Å
• b: 14.5028 ± 0.0002 Å
• c: 20.3353 ± 0.0002 Å
• α: 90°
• β: 108.868 ± 0.001°
• γ: 90°
• Cell volume: 4853.67 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0412
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No