Information card for entry 4069311

Structure parameters

• Formula: C39 H59 N3 Th
• Calculated formula: C39 H59 N3 Th
• SMILES: [Th]123456789([N](=NC%10%11CC%12CC(C%10)CC(C%11)C%12)N1C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)([c]1([c]6([c]7([c]8([c]91C)C)C)C)C)C.c1ccccc1C
• Title of publication: Insertion of Carbodiimides and Organic Azides into Actinide−Carbon Bonds
• Authors of publication: Evans, William J.; Walensky, Justin R.; Ziller, Joseph W.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3350
• a: 10.2096 ± 0.0006 Å
• b: 19.8762 ± 0.0011 Å
• c: 17.8379 ± 0.001 Å
• α: 90°
• β: 99.816 ± 0.001°
• γ: 90°
• Cell volume: 3566.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0224
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No