Information card for entry 4506290

Structure parameters

• Formula: C12 H8 Ba2 N4 O11
• Calculated formula: C12 H8 Ba2 N4 O11
• Title of publication: Construction of Ba(II) Coordination Polymers Based on Imidazole-Based Dicarboxylate Ligands: Structural Diversity Tuned by Alcohol Solvents
• Authors of publication: Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3575
• a: 7.0034 ± 0.0005 Å
• b: 16.9381 ± 0.0013 Å
• c: 7.0666 ± 0.0005 Å
• α: 90°
• β: 98.811 ± 0.001°
• γ: 90°
• Cell volume: 828.38 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0315
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No