Information card for entry 8104885

Structure parameters

• Formula: C51 H79 O11 Y
• Calculated formula: C51 H79 O11 Y
• Title of publication: Crystal structure of catena-poly[diaqua-bis(μ2-2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2 O:O')-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2 O,O')yttrium(III)], C51H79O11Y
• Authors of publication: Zhong, Ke-Xiang; Zhang, Rong-Gui; Li, Lai-Chao; Zhao, De-Sen; Wang, Yan-Liang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 69 - 72
• a: 8.8682 ± 0.0003 Å
• b: 22.1328 ± 0.0008 Å
• c: 27.9848 ± 0.001 Å
• α: 90°
• β: 96.71 ± 0.001°
• γ: 90°
• Cell volume: 5455.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1039
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No