Information card for entry 1529204

Structure parameters

• Common name: Th(OCP)(amid)3
• Formula: C40 H69 N6 O P Si6 Th
• Calculated formula: C40 H69 N6 O P Si6 Th
• Title of publication: Uranium and thorium complexes of the phosphaethynolate ion
• Authors of publication: Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 6379
• a: 11.4301 ± 0.0009 Å
• b: 21.3302 ± 0.0016 Å
• c: 24.614 ± 0.002 Å
• α: 99.881 ± 0.004°
• β: 90.073 ± 0.004°
• γ: 95.606 ± 0.004°
• Cell volume: 5882.8 ± 0.8 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: 0.0358
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No