Information card for entry 4308489

Structure parameters

• Formula: C66 H90 N6 Na2 O12 S12 U
• Calculated formula: C66 H86 N6 Na2 O12 S12 U
• SMILES: [U]123(SC4(=CSCCS4)S1)(SC1(=C(SCCS1)S2))SC1=C(SCCS1)S3.C1OCCOCC[O]2CC[O]3CC[O]4CC[O](C1)[Na]234([n]1ccccc1)[n]1ccccc1.[n]1(ccccc1)[Na]123([n]4ccccc4)[O]4CC[O]1CC[O]2CC[O]3CCOCCOCC4.n1ccccc1.n1ccccc1
• 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: 29.0277 ± 0.0013 Å
• b: 10.5486 ± 0.0004 Å
• c: 29.1026 ± 0.0013 Å
• α: 90°
• β: 116.001 ± 0.002°
• γ: 90°
• Cell volume: 8009.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0969
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No