Information card for entry 4125902

Structure parameters

• Formula: C40 H80 Li5 O4 Rh Si4
• Calculated formula: C40 H80 Li5 O4 Rh Si4
• SMILES: [Rh]12345[C]67([Si](C)(C)C)=[C]89([C]%10%11(=[C]1([Si](C)(C)C)([Li]68%10[O]1CCCC1)([Li]79%11[O]1CCCC1)[Li]2[C]124(=[C]46([C]78(=[C]3([Si](C)(C)C)([Li]147[O]1CCCC1)[Li]5268[O]1CCCC1)C)C)[Si](C)(C)C)C)C
• 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: 12.0164 ± 0.0008 Å
• b: 20.6077 ± 0.0014 Å
• c: 20.6174 ± 0.0015 Å
• α: 90°
• β: 92.763 ± 0.006°
• γ: 90°
• Cell volume: 5099.6 ± 0.6 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No