Information card for entry 4129714

Structure parameters

• Formula: C55 H81 P Th2
• Calculated formula: C55 H81 P Th2
• SMILES: [Th]123456789(P%10[Th]%11%12%13%14%15%16%17%18([c]%19([c]%18([c]%14([c]%16([c]%12%19C)C)C)C)C)([c]%12([c]%11([c]%15([c]%17([c]%13%12C)C)C)C)C)C[C@H](c%11c%10c(cc(c%11)C(C)C)[C@H](C)C9)C)([c]9([c]3(C)[c]8([c]4([c]29C)C)C)C)[c]2([c]5([c]1([c]6([c]72C)C)C)C)C.[Th]123456789(P%10[Th]%11%12%13%14%15%16%17%18([c]%19([c]%18([c]%14([c]%16([c]%12%19C)C)C)C)C)([c]%12([c]%11([c]%15([c]%17([c]%13%12C)C)C)C)C)C[C@@H](c%11c%10c(cc(c%11)C(C)C)[C@@H](C)C9)C)([c]9([c]3(C)[c]8([c]4([c]29C)C)C)C)[c]2([c]5([c]1([c]6([c]72C)C)C)C)C
• Title of publication: Formation of a Bridging Phosphinidene Thorium Complex.
• Authors of publication: Behrle, Andrew C.; Castro, Ludovic; Maron, Laurent; Walensky, Justin R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 47
• Pages of publication: 14846 - 14849
• a: 11.0279 ± 0.0016 Å
• b: 18.2 ± 0.003 Å
• c: 25.124 ± 0.004 Å
• α: 90°
• β: 94.3 ± 0.002°
• γ: 90°
• Cell volume: 5028.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No