Information card for entry 7016946

Structure parameters

• Formula: C87 H90 Li2 O6 P6 S6 Th
• Calculated formula: C87 H90 Li2 O6 P6 S6 Th
• Title of publication: The Th[double bond, length as m-dash]C double bond: an experimental and computational study of thorium poly-carbene complexes.
• Authors of publication: Ren, Wenshan; Deng, Xuebin; Zi, Guofu; Fang, De-Cai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 38
• Pages of publication: 9662 - 9664
• a: 21.0477 ± 0.0011 Å
• b: 23.5378 ± 0.0012 Å
• c: 35.0309 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17354.9 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1002
• 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