Information card for entry 1529206

Structure parameters

• Formula: C43.5 H73 N7 O Si6 Th
• Calculated formula: C43.5 H73 N7 O Si6 Th
• SMILES: C(=N[Th]123([N]([Si](C)(C)C)=C(c4ccccc4)N1[Si](C)(C)C)([N]([Si](C)(C)C)=C(c1ccccc1)N2[Si](C)(C)C)[N]([Si](C)(C)C)=C(c1ccccc1)N3[Si](C)(C)C)=O
• 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: 11.2966 ± 0.0019 Å
• b: 23.057 ± 0.004 Å
• c: 23.27 ± 0.004 Å
• α: 66.405 ± 0.006°
• β: 87.39 ± 0.006°
• γ: 77.614 ± 0.006°
• Cell volume: 5419.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No