Information card for entry 4308490

Structure parameters

• Formula: C56 H80 N4 Na2 O12 S12 U
• Calculated formula: C56 H80 N4 Na2 O12 S12 U
• SMILES: [U]123(SC4=C(S1)SCCS4)(SC1=C(S2)SCCS1)SC1=C(S3)SCCS1.[Na]1234([O]5CC[O]1CC[O]2CC[O]3CC[O]4CCOCC5)([n]1ccccc1)[n]1ccccc1.[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([n]1ccccc1)[n]1ccccc1
• Title of publication: Homoleptic Tris(dithiolene) and Tetrakis(dithiolene) Complexes of Uranium(IV)
• Authors of publication: Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 594 - 600
• a: 10.4901 ± 0.0005 Å
• b: 15.5965 ± 0.0013 Å
• c: 22.578 ± 0.0018 Å
• α: 83.727 ± 0.003°
• β: 80.084 ± 0.005°
• γ: 75.523 ± 0.004°
• Cell volume: 3514.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No