Information card for entry 7058438

Structure parameters

• Formula: C45 H68 Cl K P S2 Th
• Calculated formula: C45 H68 Cl K P S2 Th
• Title of publication: Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules
• Authors of publication: Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9527
• a: 12.0344 ± 0.0006 Å
• b: 14.361 ± 0.0008 Å
• c: 27.3883 ± 0.0016 Å
• α: 90°
• β: 100.605 ± 0.005°
• γ: 90°
• Cell volume: 4652.6 ± 0.4 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No