Information card for entry 4086523

Structure parameters

• Formula: C26 H48 N4 Si2 Th
• Calculated formula: C26 H48 N4 Si2 Th
• SMILES: [c]1([c]2([c]3([c]4([c]15C)C)C)C)(C)[Th]12345678([c]2([c]1([c]6([c]7([c]28C)C)C)C)C)(N([Si](C)(C)C)[Si](C)(C)C)N=N#N
• 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: 21.048 ± 0.005 Å
• b: 16.731 ± 0.004 Å
• c: 17.175 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6048 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No