Information card for entry 4077335

Structure parameters

• Formula: C42 H75 Na O8 S2 U
• Calculated formula: C42 H75 Na O8 S2 U
• SMILES: [U]123456789([c]%10([c]4([c]3([c]2([c]1%10C)C)C)C)C)([c]1([c]8([c]7([c]6([c]51C)C)C)C)C)(SC)SC9.[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([O]1CCCC1)[O]1CCCC1
• Title of publication: C−H and C−S Bond Cleavage in Uranium(III) Thiolato Complexes
• Authors of publication: Arliguie, Thérèse; Lescop, Christophe; Ventelon, Lionel; Leverd, Pascal C.; Thuéry, Pierre; Nierlich, Martine; Ephritikhine, Michel
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 17
• Pages of publication: 3698
• a: 10.7635 ± 0.0011 Å
• b: 21.759 ± 0.002 Å
• c: 19.8422 ± 0.0012 Å
• α: 90°
• β: 94.511 ± 0.006°
• γ: 90°
• Cell volume: 4632.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1336
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No