Information card for entry 4131205

Structure parameters

• Formula: C50 H44 Cl2 N2 O6 Pd
• Calculated formula: C50 H44 Cl2 N2 O6 Pd
• Title of publication: Flexible, Linear Chains Act as Baffles To Inhibit the Intramolecular Rotation of Molecular Turnstiles.
• Authors of publication: Yu, Chengyuan; Ma, Lishuang; He, Jiaojiao; Xiang, Junfeng; Deng, Xuebin; Wang, Ying; Chen, Xuebo; Jiang, Hua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 49
• Pages of publication: 15849 - 15852
• a: 8.9976 ± 0.0003 Å
• b: 12.5054 ± 0.0004 Å
• c: 24.0168 ± 0.0005 Å
• α: 94.504 ± 0.002°
• β: 99.812 ± 0.002°
• γ: 109.967 ± 0.003°
• Cell volume: 2475.32 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No