Information card for entry 4509463

Structure parameters

• Formula: C84 H113 Ba6 Lu4 N12 O86.5
• Calculated formula: C84 H36 Ba6 Lu4 N12 O86.5
• 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: 16.117 ± 0.003 Å
• b: 20.318 ± 0.003 Å
• c: 20.763 ± 0.004 Å
• α: 89.835 ± 0.003°
• β: 72.005 ± 0.003°
• γ: 88.916 ± 0.003°
• Cell volume: 6465 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No