Information card for entry 7700988

Structure parameters

• Formula: C102.8 H86.2 N11.4 O21 Th4
• Calculated formula: C102.8 H86.2 N11.4 O21 Th4
• Title of publication: Tetranuclear oxido-bridged thorium(iv) clusters obtained using tridentate Schiff bases.
• Authors of publication: Tsantis, Sokratis T.; Lagou-Rekka, Aimilia; Konidaris, Konstantis F.; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Perlepes, Spyros P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15668 - 15678
• a: 16.3097 ± 0.0003 Å
• b: 26.3838 ± 0.0005 Å
• c: 22.6412 ± 0.0004 Å
• α: 90°
• β: 94.057 ± 0.001°
• γ: 90°
• Cell volume: 9718.4 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No