Information card for entry 4125899

Structure parameters

• Chemical name: 4EtPd
• Formula: C40 H72 Li4 O4 Pd
• Calculated formula: C40 H72 Li4 O4 Pd
• SMILES: [Pd]123456([C]78(=[C]9%10([C]%11%12(=[C]2(CC)([Li]579%11[O]2CCCC2)[Li]68%10%12[O]2CCCC2)CC)CC)CC)[C]25(=[C]67([C]89(=[C]1(CC)([Li]3268[O]1CCCC1)[Li]4579[O]1CCCC1)CC)CC)CC
• 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: 19.108 ± 0.0008 Å
• b: 10.045 ± 0.0005 Å
• c: 23.563 ± 0.0009 Å
• α: 90°
• β: 105.426 ± 0.004°
• γ: 90°
• Cell volume: 4359.7 ± 0.3 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No