Information card for entry 4125898

Structure parameters

• Formula: C44 H84 Li4 O4 Pd Si4
• Calculated formula: C44 H84 Li4 O4 Pd Si4
• SMILES: [Pd]123456([C]78([Si](C)(C)C)=[C]9%10%11[C]%12%13(=[C]%141([Si](C)(C)C)[Li]37%10%12([O]1CCCC1)[Li]48%11%13%14[O]1CCCC1)CCCC9)[C]13([Si](C)(C)C)=[C]478[C]9%10(=[C]%112([Si](C)(C)C)[Li]5179([O]1CCCC1)[Li]638%10%11[O]1CCCC1)CCCC4
• Title of publication: Spiro Metallaaromatics of Pd, Pt, Rh: Synthesis and Characterization.
• Authors of publication: Zhang, Yongliang; Wei, Junnian; Chi, Yue; Zhang, Xuan; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 12.0313 ± 0.0004 Å
• b: 22.2632 ± 0.0007 Å
• c: 19.4592 ± 0.0008 Å
• α: 90°
• β: 96.183 ± 0.003°
• γ: 90°
• Cell volume: 5181.9 ± 0.3 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0939
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No