Information card for entry 4509456

Structure parameters

• Formula: C21 H27 Ba1.5 Dy N3 O21
• Calculated formula: C21 H21 Ba1.5 Dy N3 O21
• Title of publication: Syntheses, Structures, and Luminescence Properties of a Series of LnIII−BaIIHeterometal-Organic Frameworks
• Authors of publication: Zhao, Xiao-Qing; Zuo, Ya; Gao, Dong-Liang; Zhao, Bin; Shi, Wei; Cheng, Peng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 3948
• a: 10.1928 ± 0.0012 Å
• b: 21.094 ± 0.003 Å
• c: 15.4861 ± 0.0019 Å
• α: 90°
• β: 106.661 ± 0.002°
• γ: 90°
• Cell volume: 3189.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No