Information card for entry 7045863

Structure parameters

• Formula: C67 H106 K2 N2 O7
• Calculated formula: C67 H106 K2 N2 O7
• Title of publication: Thorium(iv) alkyl and allyl complexes of a rigid NON-donor pincer ligand with flanking 1-adamantyl substituents.
• Authors of publication: Andreychuk, Nicholas R.; Dickie, Tara; Emslie, David J. H.; Jenkins, Hilary A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 4866 - 4876
• a: 17.088 ± 0.002 Å
• b: 17.455 ± 0.002 Å
• c: 21.803 ± 0.003 Å
• α: 90°
• β: 100.23 ± 0.002°
• γ: 90°
• Cell volume: 6399.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.1193
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No