Information card for entry 7032884

Structure parameters

• Formula: C80 H92 Cl2 O4 Th
• Calculated formula: C80 H92 Cl2 O4 Th
• SMILES: c1(c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)O[Th]1(Cl)(Oc2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)([O](C)CC[O]1C)Cl.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Arene-ligated heteroleptic terphenolate complexes of thorium.
• Authors of publication: McKinven, Jamie; Nichol, Gary S.; Arnold, Polly L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17416 - 17421
• a: 18.6655 ± 0.0008 Å
• b: 21.3909 ± 0.0009 Å
• c: 19.2081 ± 0.001 Å
• α: 90°
• β: 109.48 ± 0.005°
• γ: 90°
• Cell volume: 7230.2 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No