Information card for entry 4308488

Structure parameters

• Formula: C48 H80 Na4 O8 S16 U
• Calculated formula: C48 H80 Na4 O8 S16 U
• SMILES: [U]1234(SC5=C(S1)SCCS5)(SC1=C(S2)SCCS1)(SC1SCCSC=1S3)SC1SCCSC=1S4.[Na+].[Na+].[Na+].[Na+].O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 29.0956 ± 0.0008 Å
• b: 15.908 ± 0.0004 Å
• c: 14.361 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6647 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No