Information card for entry 4502757

Structure parameters

• Formula: C24 H12 Er N3 O7
• Calculated formula: C24 H12 Er N3 O7
• Title of publication: Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)
• Authors of publication: Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 670
• a: 22.1535 ± 0.0011 Å
• b: 28.595 ± 0.003 Å
• c: 29.043 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18398 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.362
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No