Information card for entry 7700339

Structure parameters

• Common name: [NP]Th(CH2C6H4CH3)3
• Formula: C48 H54 N P Th
• Calculated formula: C48 H54 N P Th
• Title of publication: Thorium(iv) trialkyl complexes of non-carbocyclic ligands as highly active isoprene polymerisation catalysts.
• Authors of publication: Qin, Guorui; Cheng, Jianhua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 31
• Pages of publication: 11706 - 11714
• a: 14.2747 ± 0.0007 Å
• b: 16.5427 ± 0.0008 Å
• c: 17.896 ± 0.0009 Å
• α: 90°
• β: 100.003 ± 0.001°
• γ: 90°
• Cell volume: 4161.8 ± 0.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No