Information card for entry 4341068

Structure parameters

• Formula: C54 H51 Er2 N9 O15
• Calculated formula: C54 H51 Er2 N9 O15
• Title of publication: Lanthanide Coordination Polymers with "fsy-type" Topology Based on 4,4'-Azobenzoic Acid: Syntheses, Crystal Structures, and Magnetic Properties.
• Authors of publication: Zhang, Shaowei; Shi, Wei; Li, Leilei; Duan, Eryue; Cheng, Peng
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10340 - 10346
• a: 16.1705 ± 0.0005 Å
• b: 8.6943 ± 0.0003 Å
• c: 20.8797 ± 0.0006 Å
• α: 90°
• β: 94.633 ± 0.003°
• γ: 90°
• Cell volume: 2925.91 ± 0.16 ų
• Cell temperature: 127.1 ± 0.6 K
• Ambient diffraction temperature: 127.1 ± 0.6 K
• Number of distinct elements: 5
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No