Information card for entry 4086516

Structure parameters

• Formula: C30 H48 Si2 Th
• Calculated formula: C30 H48 Si2 Th
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Th]16789%10%112345([c]2([c]8([c]7([c]6([c]12C)C)C)C)C)C(=[C]9=[C]%10=C%11[Si](C)(C)C)[Si](C)(C)C)C)C)C)C
• Title of publication: Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules
• Authors of publication: Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.
• Journal of publication: Organometallics
• Year of publication: 2016
• a: 10.675 ± 0.004 Å
• b: 18.006 ± 0.007 Å
• c: 16.617 ± 0.007 Å
• α: 90°
• β: 97.683 ± 0.008°
• γ: 90°
• Cell volume: 3165 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No