Information card for entry 4308487

Structure parameters

• Formula: C90 H126 N6 Na4 O18 S24 U2
• Calculated formula: C90 H126 N6 Na4 O18 S24 U2
• SMILES: [U]123(SC4=C(S1)SCCS4)(SC1=C(S2)SCCS1)SC1=C(S3)SCCS1.[n]1(ccccc1)[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[n]1ccccc1.[Na+].[U]123(SC4=C(S1)SCCS4)(SC1=C(S2)SCCS1)SC1=C(S3)SCCS1.[n]1(ccccc1)[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[n]1ccccc1.[n]1(ccccc1)[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[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: 10.4359 ± 0.0005 Å
• b: 16.2555 ± 0.0008 Å
• c: 18.9962 ± 0.001 Å
• α: 101.53 ± 0.004°
• β: 104.101 ± 0.005°
• γ: 102.537 ± 0.004°
• Cell volume: 2940.2 ± 0.3 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: 0.1229
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No