Information card for entry 4129715

Structure parameters

• Formula: C36 H48 O2 Th
• Calculated formula: C36 H48 O2 Th
• SMILES: [Th]12345678([c]9([c]1(C)[c]8([c]7([c]69C)C)C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)(Oc1c(C)cccc1C)Oc1c(cccc1C)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: 9.489 ± 0.002 Å
• b: 10.143 ± 0.002 Å
• c: 18.579 ± 0.004 Å
• α: 82.039 ± 0.002°
• β: 77.46 ± 0.002°
• γ: 67.375 ± 0.002°
• Cell volume: 1608.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No