Information card for entry 7110453

Structure parameters

• Formula: C36 H63 Na O6 S2 U
• Calculated formula: C36 H55 Na O6 S2 U
• Title of publication: Synthesis and X-ray crystal structure of [Na(18-crown-6)][U(Cp*)2(SBut)(S)], the first f-element compound containing a metal‒sulfur double bond
• Authors of publication: Ventelon, Lionel; Lescop, Christophe; Arliguie, Thérèse; Ephritikhine, Michel; Leverd, Pascal C.; Lance, Monique; Nierlich, Martine
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 659
• a: 19.174 ± 0.004 Å
• b: 18.548 ± 0.004 Å
• c: 23.132 ± 0.005 Å
• α: 90°
• β: 103.31 ± 0.03°
• γ: 90°
• Cell volume: 8006 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0594
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.0641
• Goodness-of-fit parameter for all reflections: 0.97
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No