Information card for entry 1513685

Structure parameters

• Formula: C120 H162 N2 O12 Se2 U2
• Calculated formula: C120 H162 N2 O12 Se2 U2
• SMILES: [U]12345([Se]6[U]789([Se]16)(Oc1c(C[N]9(Cc6c(O7)c(cc(c6)C)C67CC9CC(CC(C6)C9)C7)Cc6c(O8)c(cc(c6)C)C67CC8CC(CC(C6)C8)C7)cc(cc1C16CC7CC(CC(C1)C7)C6)C)[O](CC[O]4C)C)Oc1c(C[N]5(Cc4c(O2)c(cc(c4)C)C24CC5CC(CC(C2)C5)C4)Cc2c(O3)c(cc(c2)C)C23CC4CC(CC(C2)C4)C3)cc(cc1C12CC3CC(CC(C1)C3)C2)C.O(C)CCOC.O(CCOC)C
• Title of publication: Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes
• Authors of publication: Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 942
• a: 14.6186 ± 0.0001 Å
• b: 14.8584 ± 0.0001 Å
• c: 27.0913 ± 0.0003 Å
• α: 90.0175 ± 0.0005°
• β: 93.0811 ± 0.0005°
• γ: 116.842 ± 0.0004°
• Cell volume: 5240.86 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No