Information card for entry 4509459

Structure parameters

• Formula: C21 H29 Ba1.5 Gd N3 O22
• Calculated formula: C21 H9 Ba1.5 Gd N3 O22
• 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: 10.097 ± 0.003 Å
• b: 21.14 ± 0.006 Å
• c: 15.381 ± 0.005 Å
• α: 90°
• β: 106.536 ± 0.004°
• γ: 90°
• Cell volume: 3147.3 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No