Information card for entry 1529209

Structure parameters

• Common name: [(amid)3Th(OCP)Ni(COD)].(hexane)0.75
• Formula: C52.5 H91.5 N6 Ni O P Si6 Th
• Calculated formula: C52.5 H91.5 N6 Ni 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: 14.8598 ± 0.001 Å
• b: 19.6824 ± 0.0013 Å
• c: 24.2681 ± 0.0017 Å
• α: 105.87 ± 0.0027°
• β: 101.321 ± 0.0026°
• γ: 96.5472 ± 0.0027°
• Cell volume: 6587.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No